MDSTEP:  0
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.332434106529  0.000000001162  -0.000000000009
  0.000000001162  -83.332434105859  -0.000000000001
  -0.000000000009  -0.000000000001  -83.332434096787
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  0.000000000000  0.000000000000  0.000000000000  -0.000000000001  -0.000000000001  -0.000000000002  -0.004425071690  -0.001281498630  -0.002000837435
  1  Al  0.000000000000  2.024999061936  2.024999061936  0.000000000001  -0.000000000001  0.000000000001  -0.002093470803  -0.002999294889  -0.003980228943
  2  Al  2.024999061936  0.000000000000  2.024999061936  -0.000000000001  0.000000000001  -0.000000000001  -0.002520087903  -0.004089644083  -0.002235195941
  3  Al  2.024999061936  2.024999061936  0.000000000000  0.000000000001  -0.000000000000  0.000000000000  -0.002685752935  -0.001248068535  -0.000685388041
  4  Al  0.000000000000  0.000000000000  4.049998123872  -0.000000000000  -0.000000000000  0.000000000002  0.000672675373  -0.003153411104  0.006422181302
  5  Al  0.000000000000  2.024999061936  6.074997185808  0.000000000001  -0.000000000003  -0.000000000001  0.000577602730  -0.000054943841  0.002437434778
  6  Al  2.024999061936  0.000000000000  6.074997185808  -0.000000000003  0.000000000001  0.000000000000  -0.001118347254  -0.000706385492  -0.000934920366
  7  Al  2.024999061936  2.024999061936  4.049998123872  -0.000000000000  0.000000000001  0.000000000001  -0.000295344746  0.000897088638  0.002452610785
  8  Al  0.000000000000  4.049998123872  0.000000000000  0.000000000001  0.000000000000  0.000000000001  -0.001722053504  0.003879162029  -0.005510877052
  9  Al  0.000000000000  6.074997185808  2.024999061936  -0.000000000001  0.000000000001  -0.000000000000  0.001254808809  -0.000515667031  -0.000431025296
  10  Al  2.024999061936  4.049998123872  2.024999061936  0.000000000003  -0.000000000001  0.000000000000  0.002458152205  -0.004637196700  -0.000680566371
  11  Al  2.024999061936  6.074997185808  0.000000000000  0.000000000000  0.000000000000  -0.000000000000  0.000998063669  0.001326982898  0.004502338722
  12  Al  0.000000000000  4.049998123872  4.049998123872  0.000000000000  0.000000000000  -0.000000000000  -0.002309748049  0.001455304057  -0.003543981631
  13  Al  0.000000000000  6.074997185808  6.074997185808  -0.000000000000  0.000000000003  -0.000000000001  0.000354044851  -0.001455910047  -0.003746358293
  14  Al  2.024999061936  4.049998123872  6.074997185808  0.000000000001  -0.000000000001  -0.000000000001  -0.000659153259  -0.001530613106  0.001657278184
  15  Al  2.024999061936  6.074997185808  4.049998123872  -0.000000000001  -0.000000000001  0.000000000001  0.003974836287  0.000624379923  -0.004080285144
  16  Al  4.049998123872  0.000000000000  0.000000000000  0.000000000000  0.000000000000  -0.000000000000  0.004646739405  0.004966787549  -0.000238329163
  17  Al  4.049998123872  2.024999061936  2.024999061936  -0.000000000000  0.000000000003  -0.000000000001  -0.005583145212  -0.004341976652  -0.000657799079
  18  Al  6.074997185808  0.000000000000  2.024999061936  0.000000000001  -0.000000000001  -0.000000000001  0.003744986611  -0.004168035588  -0.004969968451
  19  Al  6.074997185808  2.024999061936  0.000000000000  -0.000000000001  -0.000000000001  0.000000000001  0.001622668924  0.004864793055  -0.006003461764
  20  Al  4.049998123872  0.000000000000  4.049998123872  0.000000000000  0.000000000000  0.000000000001  0.001457128591  0.005300222171  0.000502385564
  21  Al  4.049998123872  2.024999061936  6.074997185808  -0.000000000001  0.000000000001  0.000000000000  0.001065947697  -0.001508108336  0.000989194773
  22  Al  6.074997185808  0.000000000000  6.074997185808  0.000000000002  -0.000000000001  0.000000000000  0.000041316718  0.000329776803  0.000544102629
  23  Al  6.074997185808  2.024999061936  4.049998123872  -0.000000000000  0.000000000000  -0.000000000000  0.003858799008  0.000765111849  -0.001441803820
  24  Al  4.049998123872  4.049998123872  0.000000000000  -0.000000000000  -0.000000000000  0.000000000002  0.000912465913  -0.000497224802  0.005414710564
  25  Al  4.049998123872  6.074997185808  2.024999061936  0.000000000001  -0.000000000003  -0.000000000001  -0.001771589374  0.004820691407  0.004566037699
  26  Al  6.074997185808  4.049998123872  2.024999061936  -0.000000000003  0.000000000001  0.000000000000  -0.002501510038  0.003576368197  -0.003330736524
  27  Al  6.074997185808  6.074997185808  0.000000000000  -0.000000000000  0.000000000001  0.000000000001  -0.001932157088  0.002184091497  0.004386629597
  28  Al  4.049998123872  4.049998123872  4.049998123872  -0.000000000000  -0.000000000001  -0.000000000002  0.001031692844  0.002018651797  0.003685142344
  29  Al  4.049998123872  6.074997185808  6.074997185808  0.000000000000  -0.000000000001  0.000000000001  -0.004266906061  0.001380701632  0.006387900195
  30  Al  6.074997185808  4.049998123872  6.074997185808  -0.000000000001  0.000000000001  -0.000000000000  0.001153464058  -0.004388882918  0.000879320218
  31  Al  6.074997185808  6.074997185808  4.049998123872  0.000000000001  -0.000000000000  0.000000000000  0.004058946414  -0.001813251747  -0.000355497477


MDSTEP:  1
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.336933678375  -0.000384055200  0.000059130945
  -0.000384055200  -83.337679306918  -0.000900601898
  0.000059130945  -0.000900601898  -83.333308055780
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.097675014400  8.099321343751  8.098876678118  0.006584395139  0.000314040568  -0.003611893739  -0.004461159677  -0.001374928344  -0.002147195466
  1  Al  8.098847545048  2.023343784957  2.022852870940  0.006310057203  0.003072541406  0.000500505012  -0.002205239611  -0.003405284160  -0.004053719598
  2  Al  2.023661779808  8.097793242219  2.023820407727  0.002930690474  0.000595852628  0.004491766611  -0.002973650944  -0.004755413886  -0.002605412273
  3  Al  2.023578269699  2.024328895260  8.099551881232  0.001743920262  -0.000856813968  -0.007350477645  -0.002939863601  -0.001250377596  -0.000713829976
  4  Al  0.000230260965  8.098316357795  4.053023395437  0.004459987134  0.002080718473  -0.008469812796  0.000650342110  -0.003097084043  0.006152697495
  5  Al  0.000229235826  2.025026711165  6.076079275939  -0.000652956296  -0.001928861358  -0.002864411506  0.000333829622  0.000080010274  0.002267088354
  6  Al  2.024267540334  8.099785765623  6.074589938204  -0.002476203096  0.006510511833  0.001329023901  -0.001372900665  -0.000619852088  -0.000759514876
  7  Al  2.024862422039  2.025447544542  4.051373094400  -0.001721197164  -0.004001780586  0.001014562316  -0.000069010241  0.000546370606  0.002723126753
  8  Al  8.099023374203  4.051786187086  8.097090029076  0.001186664563  -0.005416471709  0.006009987182  -0.001906766175  0.003625204999  -0.005949427755
  9  Al  0.000706165161  6.074791857193  2.024926447470  0.000515245647  0.000398037124  0.002536869220  0.001273518726  -0.000252411943  -0.000344866345
  10  Al  2.026189245137  4.047808765657  2.024578750774  -0.002324169845  0.014260639929  0.004747364178  0.002519452855  -0.004414268679  -0.000696099454
  11  Al  2.025524889676  6.075481614384  0.002181247937  -0.004773648239  0.001772962006  0.004244016873  0.000905854322  0.000613182109  0.003997017325
  12  Al  8.098896603645  4.050649045416  4.048194111428  0.007806506156  0.001325861820  0.007510543521  -0.002482937417  0.001004124810  -0.003932461793
  13  Al  0.000345140228  6.074301339770  6.073229429983  0.000995899432  0.001542892770  0.004215320883  0.000503665748  -0.001416183052  -0.003404891850
  14  Al  2.024550558554  4.049346909618  6.075992862793  -0.003840167920  -0.004788442634  -0.003952187624  -0.000532617691  -0.001508590926  0.001966937038
  15  Al  2.026872396308  6.075173767466  4.048008155303  -0.007781839215  -0.002868134312  -0.001256792587  0.003848268158  0.000388986490  -0.004321479077
  16  Al  4.052261387962  0.002347977197  8.099872405349  -0.002190684464  -0.000579397074  0.006460074845  0.004366330036  0.004420933742  -0.000436389636
  17  Al  4.047043704055  2.022912414645  2.024854905854  0.010571804262  0.003218104836  -0.001412231331  -0.005592547763  -0.003828189292  -0.000450886499
  18  Al  6.077024499824  8.098066175797  2.022381590109  -0.009203114535  -0.001159030198  0.003401323336  0.003933796224  -0.003860232761  -0.004932527898
  19  Al  6.075990281028  2.027458528429  8.097102020315  -0.007606263863  -0.008057307808  0.000439358385  0.002081636857  0.005114919203  -0.005699763103
  20  Al  4.050864491807  0.002457153370  4.050272011044  -0.003099017969  -0.008621439626  -0.001195044575  0.002001645328  0.004889078544  0.000173534941
  21  Al  4.050401958332  2.024284553531  6.075523706733  0.000953418874  0.002497061103  0.004683601765  0.000849078172  -0.001189267347  0.000698195574
  22  Al  6.075018792367  0.000063103420  6.075415372755  0.000991554338  0.008078591441  0.002159570243  0.000116785750  0.000435718789  0.000563440893
  23  Al  6.077063299812  2.025261555867  4.049270599984  -0.006308503551  -0.001398009175  0.008724918776  0.004213937653  0.000276023191  -0.001375140928
  24  Al  4.050508302999  4.049698222272  0.002607666196  0.002340900645  -0.001156305130  -0.007743970155  0.000858582718  -0.000855258136  0.005420551732
  25  Al  4.049157974994  6.077424992429  2.027236657616  0.001305985723  -0.004928745685  -0.004578404171  -0.001470386196  0.005065955594  0.004349856628
  26  Al  6.073647683103  4.051944582521  2.023371204418  -0.000506561287  0.001186153659  0.002019262270  -0.002473108446  0.003598866963  -0.003220911315
  27  Al  6.074111854148  6.076260373312  0.002098826633  0.001209541615  -0.004002189256  -0.003504291688  -0.002112158621  0.002152112935  0.004146264289
  28  Al  4.050584214925  4.051156996715  4.051705294767  -0.002001737304  -0.000805122391  -0.008173704937  0.001024179023  0.002217459834  0.003719549133
  29  Al  4.047989441035  6.075838304286  6.078274402271  0.011380364827  -0.002164610949  -0.008718722790  -0.004234670880  0.001318681300  0.006692809112
  30  Al  6.075591440315  4.047924128910  6.075540368159  -0.001271246390  0.002713156265  0.002737482688  0.001376136769  -0.003831725014  0.000880836320
  31  Al  6.076874676554  6.074264284423  4.049776568325  -0.005529625157  0.003165535998  -0.004393606462  0.003930385666  -0.001489929171  -0.000781631645


MDSTEP:  2
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.324838874356  -0.000542244032  -0.000448334298
  -0.000542244032  -83.328375174703  -0.003922846337
  -0.000448334298  -0.003922846337  -83.312417060210
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.095535088067  8.098621319400  8.097849052278  0.011691976817  0.001088660027  -0.008062855195  -0.004040351324  -0.001723372667  -0.001704235616
  1  Al  8.097791008133  2.021593777775  2.020945342338  0.011655647771  0.005654947233  0.000063051942  -0.001780970651  -0.003337112339  -0.004073113589
  2  Al  2.022025410992  8.095240833858  2.022393649662  0.006318377379  -0.000835690834  0.010760294679  -0.003235844850  -0.004718970789  -0.003001391297
  3  Al  2.022059198335  2.023748684340  8.099282417768  0.003388795291  -0.001217552385  -0.016538539467  -0.003143079692  -0.000965321880  -0.000838137671
  4  Al  0.000650342110  8.096899163701  4.056150821367  0.008778509040  0.003193134039  -0.017240839413  0.000986149343  -0.002790460036  0.006019300824
  5  Al  0.000333829622  2.025079072210  6.077264274162  -0.001883112975  -0.003919592094  -0.006800473732  0.000003337825  0.000155245243  0.002165913818
  6  Al  2.023626161271  8.099376395655  6.074237670932  -0.006587974509  0.015879866894  0.000878605088  -0.001139273029  -0.000531409456  -0.000608799983
  7  Al  2.024930051695  2.025545432542  4.052721250625  -0.003400033895  -0.007336785365  0.003860300136  0.000222565920  -0.000134834257  0.002792741553
  8  Al  8.098089481568  4.053623328871  8.094046819988  0.000847047453  -0.010857785830  0.011892670165  -0.001970539129  0.003892033119  -0.006022458101
  9  Al  0.001273518726  6.074744773865  2.024654195591  0.001467653041  0.000434649486  0.006746125452  0.001189038178  -0.000034275068  -0.000912834939
  10  Al  2.027518514791  4.045583855193  2.024302962482  -0.003381606880  0.029629909736  0.009025572905  0.002736857529  -0.004520867384  -0.000877706976
  11  Al  2.025904916258  6.075610367917  0.003997017325  -0.009054305916  0.003451849694  0.013088446677  0.000816434123  0.000108696298  0.003802135603
  12  Al  8.097513310327  4.051002248682  4.046065662079  0.015291036784  0.003398451720  0.016168746236  -0.002595150155  0.000947693904  -0.004058570923
  13  Al  0.000503665748  6.073581002755  6.071592293958  0.001922751609  0.001904966124  0.006475334879  0.000681152680  -0.001681598584  -0.003264700467
  14  Al  2.024466444245  4.048489532946  6.076964122845  -0.008778315440  -0.011824401081  -0.008826345415  -0.000475467266  -0.001433748649  0.001581727340
  15  Al  2.028847330094  6.075386172298  4.045676644795  -0.015580706381  -0.005588235635  -0.004938216209  0.003791078031  0.000118655398  -0.004566658131
  16  Al  4.054364453907  0.004420933742  8.099559858108  -0.002005858457  0.000814054707  0.015551259656  0.004228033097  0.004331769109  -0.000637655530
  17  Al  4.044405576108  2.021170872644  2.024548175437  0.020374473782  0.005544677245  -0.002259349820  -0.005485191798  -0.003542756394  -0.000584264606
  18  Al  6.078930982032  8.096136014983  2.020066534038  -0.017966551849  -0.003974450331  0.005629070643  0.004037103484  -0.003658744172  -0.004715418966
  19  Al  6.077078822665  2.030113981139  8.094296484641  -0.015695506337  -0.015207267830  -0.001111415650  0.002069686391  0.005153112734  -0.005260310897
  20  Al  4.051999769200  0.004889078544  4.050171658813  -0.006977797322  -0.016350788267  -0.002859905043  0.002164196278  0.005172487114  -0.000345479789
  21  Al  4.050847202043  2.023809794589  6.075695381382  0.003156758444  0.005640572378  0.009485692198  0.000834623293  -0.000921240767  0.000421508738
  22  Al  6.075113971558  0.000435718789  6.075560626700  0.002939724650  0.018427181014  0.004142120029  -0.000046823257  0.000550030589  0.000240586237
  23  Al  6.079211123461  2.025275085127  4.048622982944  -0.012089408133  -0.001230669715  0.019389727456  0.004584576605  -0.000173176338  -0.001211778950
  24  Al  4.050856706589  4.049142865736  0.005420551732  0.006280938661  -0.002653912457  -0.014134752441  0.000625611142  -0.001240298150  0.005572728956
  25  Al  4.048527737676  6.080063141402  2.029348918564  0.002452920813  -0.011147054700  -0.008227678259  -0.001300134411  0.005348754409  0.004247866656
  26  Al  6.072524077362  4.053596990834  2.021778150621  -0.003301521042  0.005297495150  0.003706923715  -0.002581345937  0.003059328641  -0.003290513110
  27  Al  6.072885027187  6.077149298743  0.004146264289  0.002626444654  -0.008081925392  -0.003836555152  -0.002430919825  0.001674046122  0.004248190173
  28  Al  4.051022302895  4.052215583706  4.053717673005  -0.002327975567  -0.001626520067  -0.017907825670  0.000535765700  0.001884676647  0.003987411956
  29  Al  4.045763452991  6.076315867108  6.081689994920  0.023080355797  -0.004718091213  -0.018158160053  -0.004500051526  0.001005437040  0.007022290790
  30  Al  6.076373322577  4.046166398857  6.075878022128  -0.002474229805  0.001103496617  0.005288026578  0.001433747097  -0.003164274082  0.000861323478
  31  Al  6.078927571474  6.073507256637  4.049216492227  -0.010768507476  0.005106811134  -0.011249056918  0.004189180787  -0.001596595756  -0.001275995669


MDSTEP:  3
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.304381180636  -0.001301297195  -0.001656725618
  -0.001301297195  -83.312790115363  -0.008925537519
  -0.001656725618  -0.008925537519  -83.278523365456
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.093634663076  8.097597971085  8.097172442501  0.016825801618  0.000811151375  -0.013402461336  -0.003968813928  -0.001991067120  -0.001328828400
  1  Al  8.097066574397  2.020006672618  2.018779757351  0.015701277205  0.008400552297  0.001269788415  -0.001305148103  -0.003173159598  -0.004118183749
  2  Al  2.020425934958  8.093074271430  2.020819016429  0.008497013303  -0.001923630089  0.016753527171  -0.003344263976  -0.004023092881  -0.003448090084
  3  Al  2.020435190007  2.023363573380  8.098713743561  0.004829751667  -0.000709090603  -0.024720069464  -0.003044677540  -0.000896460490  -0.000977721663
  4  Al  0.001216410308  8.095525897759  4.059042696261  0.012004091871  0.004571519849  -0.026308160037  0.000987035872  -0.002835109006  0.006051574752
  5  Al  0.000232573651  2.025181956408  6.078245189756  -0.002041258626  -0.005062757152  -0.010552745401  -0.000090479143  0.000484182676  0.001783598127
  6  Al  2.023128267305  8.099254356167  6.073981138221  -0.010995533522  0.022410815923  0.001169348124  -0.001078840212  0.000075602590  -0.000527258936
  7  Al  2.025084987959  2.025312710284  4.054165835954  -0.005947296346  -0.009449429305  0.005684078903  0.000577506639  -0.000592286267  0.002541495222
  8  Al  8.097052835074  4.055678220206  8.091067570975  0.001558686624  -0.016010948085  0.016955610356  -0.001938570453  0.004209883955  -0.005555034204
  9  Al  0.001895203338  6.074757582125  2.024013612531  0.001510018425  0.000759211967  0.010461287587  0.001178040258  -0.000119862708  -0.001364619730
  10  Al  2.028926102666  4.043287898273  2.023701043798  -0.006706478635  0.043531547568  0.013432532633  0.002953197800  -0.004526570835  -0.000869705309
  11  Al  2.026341323799  6.075590310682  0.005983383540  -0.014841845890  0.004801852308  0.017274216801  0.000666261690  -0.000238304696  0.003893370571
  12  Al  8.096301453490  4.051596739319  4.044135540505  0.022003624370  0.003747625428  0.024479811631  -0.002046890430  0.001194868203  -0.003983640807
  13  Al  0.001026292908  6.072619741187  6.069964729516  0.002101747044  0.002938757282  0.010815104818  0.000714502633  -0.002086866916  -0.003140416843
  14  Al  2.024075091288  4.047913160969  6.077574590133  -0.013093586204  -0.017898941166  -0.010748455952  -0.000577143114  -0.001090929329  0.001581003234
  15  Al  2.030663474339  6.075292422863  4.043441497172  -0.024186960725  -0.006908936867  -0.006440637304  0.003741497047  -0.000390708420  -0.004173872770
  16  Al  4.056489421059  0.006679746306  8.099234749819  -0.002477340864  -0.000175541756  0.023207074652  0.004562898133  0.004576826865  -0.000426169525
  17  Al  4.041558512258  2.019369658251  2.024270641248  0.031164723906  0.008370570977  -0.002287473185  -0.005717682541  -0.003604530781  -0.000834483638
  18  Al  6.081061603308  8.094407431625  2.017666171143  -0.025975029376  -0.006179446335  0.009561096357  0.004221448050  -0.003709462231  -0.004563388769
  19  Al  6.078059967419  2.032611641164  8.091841709418  -0.022671008138  -0.021201387390  -0.002446272054  0.001934057483  0.005012555210  -0.005190544947
  20  Al  4.053028688085  0.007629640484  4.049926531255  -0.009763915821  -0.024515019738  -0.003791272034  0.002311870393  0.005275948094  -0.000382591413
  21  Al  4.051236581625  2.023363312764  6.075945215472  0.005019057373  0.009895700543  0.014084136254  0.000995037605  -0.000891671997  0.000777543410
  22  Al  6.074971969110  0.000613134009  6.075655958992  0.005620973589  0.026620113526  0.006411534606  -0.000495784498  0.000341732667  0.000108512530
  23  Al  6.081647876416  2.025088379530  4.048058821034  -0.018363903185  -0.000838077174  0.027728230591  0.004861290347  -0.000338652639  -0.001003811176
  24  Al  4.051133914140  4.048457924122  0.008180395152  0.009461088748  -0.003314157020  -0.023834547791  0.000291368883  -0.001499927018  0.005291617640
  25  Al  4.047857840583  6.082773746838  2.031484524272  0.004595852845  -0.016378269391  -0.013341699868  -0.001599053244  0.005757959160  0.004219176429
  26  Al  6.071066337166  4.055003911161  2.020080691308  -0.002951141964  0.007584743649  0.005752480800  -0.003265272104  0.003127819866  -0.003697493574
  27  Al  6.071680934323  6.077934419434  0.006347016806  0.004894079591  -0.011630288646  -0.007200312333  -0.002168708107  0.001461526023  0.004410310711
  28  Al  4.051119980625  4.053041673361  4.055692706723  -0.001785064321  -0.003129838247  -0.025852468889  0.000511615335  0.001900031231  0.004062817075
  29  Al  4.043489389509  6.076843741327  6.085296693061  0.034390144060  -0.008112905489  -0.026259763943  -0.004364820178  0.000917360048  0.006981516840
  30  Al  6.077025187412  4.044759854828  6.076401691637  -0.003385903813  0.000794203026  0.007959138212  0.001521459641  -0.003038524454  0.001046153643
  31  Al  6.081063857340  6.072667688666  4.048500572656  -0.014991664808  0.008200298734  -0.015812658322  0.004207588134  -0.001317473285  -0.001054428466


MDSTEP:  4
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.275709451004  -0.002871397892  -0.003198310644
  -0.002871397892  -83.290466216814  -0.016262679824
  -0.003198310644  -0.016262679824  -83.232146028471
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.091566274139  8.096630252280  8.096520223878  0.022464300753  0.000291736586  -0.018425785026  -0.004249634904  -0.002159285778  -0.001313983806
  1  Al  8.096485860030  2.018420618177  2.016827158589  0.022104292782  0.011202034456  0.001171493812  -0.000998583436  -0.003002621459  -0.004239405052
  2  Al  2.018681147016  8.091217740977  2.018945559579  0.012522230093  -0.003216194884  0.023993065311  -0.003571937513  -0.003430894484  -0.003844086165
  3  Al  2.019014520795  2.022852223849  8.098304696104  0.007711326159  0.001065048040  -0.033133522411  -0.002753328131  -0.000647587431  -0.000942083175
  4  Al  0.001637377982  8.094064054695  4.062202396119  0.016714456696  0.004814594086  -0.036459177900  0.000510464777  -0.003275222815  0.006114413839
  5  Al  0.000243350479  2.025563254886  6.079047872289  -0.001036257446  -0.006495089895  -0.012378110168  -0.000255082541  0.000991000117  0.001698660953
  6  Al  2.022547321059  8.099451998246  6.073710411996  -0.012909247812  0.028987509148  0.002275252719  -0.001029832816  0.000573709063  -0.000552103027
  7  Al  2.025507558334  2.024953146275  4.055262745847  -0.006570836713  -0.010689389578  0.007669211774  0.000730159903  -0.000753569615  0.002409973879
  8  Al  8.096150911116  4.057833212825  8.088491785784  0.003988175455  -0.021655966981  0.020615219196  -0.001725721531  0.004101585813  -0.004764721637
  9  Al  0.002451558985  6.074624911157  2.023289575861  0.003164748479  0.001992470988  0.014673625755  0.000807137869  -0.000118647894  -0.001100122553
  10  Al  2.030471712591  4.041057284358  2.023433257174  -0.008608689761  0.056981113633  0.016333625944  0.002773983294  -0.004796570802  -0.000797971172
  11  Al  2.026571177948  6.075372063221  0.007890387897  -0.018771567498  0.005673914250  0.022873068069  0.000512682427  -0.000269103161  0.004055456100
  12  Al  8.095466419897  4.052197116885  4.042082021272  0.029713720328  0.005390420392  0.033231831699  -0.001583564702  0.000886623135  -0.003933554310
  13  Al  0.001218168380  6.071494135839  6.068451877115  0.002677226471  0.003803924025  0.014887015163  0.000711898475  -0.002102727307  -0.002861747582
  14  Al  2.023889301132  4.047398603617  6.078545126079  -0.016653165014  -0.025222812589  -0.013085913593  -0.000538884048  -0.000845708742  0.002083492107
  15  Al  2.032588827141  6.074995463878  4.041502772025  -0.032447980823  -0.007815055144  -0.009641748899  0.003863132115  -0.000315184366  -0.003845215936
  16  Al  4.058927352040  0.008997760608  8.099133688583  -0.004354572849  -0.000656287820  0.030534936589  0.004615720354  0.004644273580  -0.000379246299
  17  Al  4.038687893567  2.017566341863  2.023713691799  0.039580196350  0.010570867770  -0.001987540129  -0.005585543825  -0.003293955331  -0.000954069765
  18  Al  6.083152430081  8.092426552752  2.015503145269  -0.035639784265  -0.008766850076  0.012459271424  0.004135062430  -0.003952666026  -0.003961400614
  19  Al  6.079012880148  2.035126536349  8.089105939695  -0.031173194982  -0.027692983120  -0.003845883074  0.001857877525  0.005064322751  -0.005329812512
  20  Al  4.054311639593  0.010165026638  4.049789067400  -0.013876859599  -0.031669453905  -0.005798237187  0.002483216407  0.005176116613  -0.000149718378
  21  Al  4.051842239648  2.022918122593  6.076472924792  0.005092619857  0.014430755155  0.018943179846  0.001242945402  -0.001066541289  0.000968506972
  22  Al  6.074618187060  0.000777451455  6.075669139230  0.007399027693  0.034088745319  0.009200391449  -0.000780044733  0.000596015218  0.000007496157
  23  Al  6.084072413808  2.024936432488  4.047619171768  -0.026787180291  -0.001320213635  0.036462009057  0.004523349620  -0.000079072880  -0.001126693296
  24  Al  4.051148075473  4.047642938717  0.010712169371  0.011295063454  -0.004567400485  -0.033364505934  0.000249986771  -0.001938865550  0.005333095462
  25  Al  4.046928684432  6.085821100562  2.033568094993  0.005826192102  -0.021736649272  -0.018504014975  -0.001846791666  0.006152618438  0.004346578518
  26  Al  6.069258805258  4.056724810700  2.018080657047  -0.002961189836  0.009643098176  0.008486676841  -0.003954219110  0.003652790111  -0.004118281834
  27  Al  6.070716319080  6.078610824766  0.008556575000  0.005503165195  -0.013852529495  -0.011137526435  -0.002084539302  0.001323211899  0.004178368839
  28  Al  4.051533918230  4.054115614937  4.057780490081  -0.004235662919  -0.006037294669  -0.033973137154  0.001184730720  0.002464894196  0.004296445285
  29  Al  4.041398632813  6.077233227156  6.088671511760  0.045273670535  -0.010534172330  -0.032915643808  -0.003825660989  0.000694410124  0.006547514043
  30  Al  6.077894782218  4.043127874404  6.076924175771  -0.005628403823  0.001431122852  0.011871728824  0.001803217771  -0.003023471369  0.001381284785
  31  Al  6.083135159608  6.072189783352  4.048162063761  -0.019375818770  0.011560989000  -0.021030856782  0.003945356488  -0.001061108813  -0.000889318932


MDSTEP:  5
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.240520741697  -0.004990818809  -0.004506799716
  -0.004990818809  -83.261983770781  -0.026458086042
  -0.004506799716  -0.026458086042  -83.174050948386
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.089385028172  8.095438685307  8.095858458695  0.027155756189  0.001322067293  -0.023231907349  -0.004223999516  -0.002186507612  -0.001639202904
  1  Al  8.096067990961  2.017004051159  2.014540352299  0.026050446906  0.014316222917  0.001674150638  -0.001106916504  -0.002559797893  -0.004275005189
  2  Al  2.016853997444  8.089643376946  2.016974930264  0.015069167258  -0.004029551576  0.031877615365  -0.003795034182  -0.003027041275  -0.003587365937
  3  Al  2.017681861876  2.022715985949  8.097771660386  0.008409772810  0.002126910701  -0.040394697979  -0.002886128776  -0.000535294847  -0.001015071180
  4  Al  0.001726875085  8.092250674944  4.065157110100  0.019782258179  0.006362236326  -0.046099968217  0.000519288604  -0.003857011204  0.005779995441
  5  Al  8.099973738854  2.026172956525  6.079943850709  -0.000322902069  -0.009194823600  -0.013815704208  -0.000701023694  0.001170466198  0.002036784736
  6  Al  2.022098434489  8.099828065230  6.073429035194  -0.016280971815  0.035962630221  0.002893509283  -0.000911947567  0.000698560654  -0.000348751351
  7  Al  2.025815147862  2.024559140669  4.056575809833  -0.008148903702  -0.012714767235  0.008943350004  0.000366577270  -0.000879721300  0.002372618564
  8  Al  8.095327113542  4.059779806018  8.086302849339  0.004976307320  -0.027293503893  0.024760647345  -0.001676759037  0.004222377439  -0.003998523330
  9  Al  0.002702341208  6.074638934231  2.022913489978  0.003618037672  0.002179242890  0.018506916573  0.000429630190  -0.000167988272  -0.000875003747
  10  Al  2.031700085960  4.038491327471  2.022903072626  -0.011975173118  0.070836114176  0.019414408675  0.002532219635  -0.004809375089  -0.001369369664
  11  Al  2.026854006226  6.075321207521  0.010038839640  -0.024734148690  0.005216942979  0.028267483390  0.000701614161  -0.000460259160  0.004592181803
  12  Al  8.094717888788  4.052483362455  4.040201986195  0.034834442470  0.008544194434  0.040355783416  -0.001442259143  0.000422899288  -0.003689506075
  13  Al  0.001738191383  6.070517013880  6.067102981934  -0.000275967623  0.004132820280  0.017870689881  0.001037978081  -0.001954102646  -0.002526536229
  14  Al  2.023536207240  4.047067452226  6.079658082240  -0.021079839804  -0.032984684600  -0.015084772506  -0.001024486410  -0.000704901820  0.002493030643
  15  Al  2.034526606454  6.074977238497  4.039596281236  -0.041805652574  -0.008575864505  -0.013006541245  0.003809117494  0.000120451564  -0.003929884223
  16  Al  4.061105141413  0.011324019886  8.098855503521  -0.005545454489  0.000565961727  0.038289420937  0.004172618765  0.004397202347  -0.000365614508
  17  Al  4.035972968432  2.016075702919  2.023316571483  0.047576765204  0.011634382652  -0.002248467071  -0.005720587385  -0.003069849816  -0.001072816350
  18  Al  6.085196665738  8.090454765599  2.013704770529  -0.043054446061  -0.011119084223  0.016528662293  0.003873245102  -0.003694832464  -0.003880920162
  19  Al  6.079917844943  2.037675963915  8.086511896907  -0.037008609032  -0.033725580300  -0.004943230085  0.001589500019  0.004858230761  -0.005289924986
  20  Al  4.055511904493  0.012805757097  4.049776812877  -0.016438761966  -0.039453610565  -0.008040198840  0.002423121985  0.005500621815  -0.000234279963
  21  Al  4.052479527027  2.022296771475  6.076913722443  0.006029596944  0.019079972946  0.023689079615  0.001361150502  -0.001217073735  0.000682990907
  22  Al  6.074191924377  0.001209149227  6.075663455148  0.011371217258  0.041066459476  0.010206151557  -0.000812984020  0.000552279546  0.000018176828
  23  Al  6.086171226036  2.025009306649  4.046932127738  -0.032413428494  -0.003101115217  0.044979420048  0.003883773512  0.000209812163  -0.001717003358
  24  Al  4.051383900911  4.046519058572  0.013513490614  0.013206313850  -0.005116956423  -0.043354214816  0.000709058903  -0.002119470990  0.005546368003
  25  Al  4.046011048917  6.088926365276  2.035831102790  0.008559282213  -0.027466991948  -0.022390284531  -0.001679530560  0.005878820083  0.004262101978
  26  Al  6.067112118056  4.058656701272  2.015962409475  0.000678293238  0.011671051912  0.012138639581  -0.004633235927  0.003759001301  -0.004313230383
  27  Al  6.069596395020  6.079257631333  0.010525385645  0.009257066263  -0.017034890466  -0.014338385542  -0.002032276444  0.001249361320  0.004085513195
  28  Al  4.052304711345  4.055506567558  4.059989152008  -0.005707745054  -0.008336257547  -0.042162058543  0.001818950155  0.002912437977  0.004417964664
  29  Al  4.039663728519  6.077538151450  6.091844207104  0.056366372318  -0.012703600846  -0.040404208857  -0.003093087212  0.000915162964  0.006496816436
  30  Al  6.078828405183  4.041736383459  6.077782976422  -0.006315876372  0.002501507608  0.014521899594  0.001711957193  -0.002795662762  0.001773788503
  31  Al  6.085009213828  6.071606579853  4.047611253723  -0.021833215230  0.015332564408  -0.025403188406  0.003745236652  -0.001465997258  -0.001389579964


MDSTEP:  6
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.198331924563  -0.008132238855  -0.004358071913
  -0.008132238855  -83.230602732337  -0.040196476358
  -0.004358071913  -0.040196476358  -83.103299904423
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.087342274623  8.094443744668  8.094881020975  0.032780229131  0.000604217445  -0.027911228928  -0.003868259437  -0.001880025554  -0.002176880426
  1  Al  8.095378943525  2.015860820284  2.012552153400  0.031217476262  0.017125275903  0.001206079454  -0.001518331428  -0.002091228063  -0.003748239110
  2  Al  2.014886112834  8.088190699702  2.015358193642  0.020987505777  -0.005361919197  0.038405500464  -0.004045555649  -0.002842834207  -0.003260578802
  3  Al  2.016128392019  2.022316929002  8.097289624924  0.012184536076  0.003545310041  -0.047557083621  -0.002873659528  -0.000971917772  -0.000936026478
  4  Al  0.002156666586  8.090207043491  4.067982391559  0.022735616429  0.008539469795  -0.054181411585  0.001207075147  -0.004233180425  0.005930820840
  5  Al  8.099538574529  2.026733721084  6.081084657024  0.001071707658  -0.011861362143  -0.016551852080  -0.000987509760  0.000770905505  0.002173435341
  6  Al  2.021635373492  0.000154311156  6.073361660645  -0.017184288233  0.042515290969  0.002901553958  -0.001248177535  0.000959572969  -0.000456301116
  7  Al  2.025874135604  2.024073424976  4.057635364411  -0.006873401145  -0.015084725386  0.011143872069  0.000190501104  -0.000671963019  0.002468907191
  8  Al  8.094474152079  4.062055590265  8.084493262454  0.005297740305  -0.034115848152  0.028070019391  -0.001808808089  0.004303949444  -0.003638373725
  9  Al  0.002881189174  6.074456922885  2.022414572114  0.004527866599  0.002698313457  0.022311105685  0.000680283985  -0.000193568820  -0.000965067058
  10  Al  2.033003932226  4.036247909269  2.022063887509  -0.012845276575  0.083472184743  0.023036565890  0.002253897317  -0.004467040919  -0.001914664909
  11  Al  2.027272792109  6.074911804061  0.012482569699  -0.028154369358  0.006945517390  0.032923478010  0.000634357592  -0.000601727685  0.005173873740
  12  Al  8.094024160753  4.052620016173  4.038392515197  0.039840678719  0.011611769614  0.047465367822  -0.001737680696  -0.000018381458  -0.003612606643
  13  Al  0.002256146461  6.069540033193  6.065925340886  -0.002690527931  0.005434630419  0.020953010017  0.000995443266  -0.001646026782  -0.002163363448
  14  Al  2.022864814722  4.046693701797  6.081038156722  -0.022441419860  -0.040797887299  -0.017584129387  -0.000973265330  -0.000472357385  0.002383544833
  15  Al  2.036397944635  6.075115915442  4.037572887802  -0.048399718679  -0.008627117106  -0.015556896315  0.004025419446  0.000056237394  -0.004360747482
  16  Al  4.063099970805  0.013394962955  8.098768074075  -0.008752731983  0.001579050510  0.045006843281  0.003807038691  0.003949592692  0.000183628117
  17  Al  4.032967306182  2.014496492048  2.022640875449  0.054652315051  0.013868874887  -0.001627269523  -0.006088373297  -0.002867001798  -0.001067614850
  18  Al  6.087025675183  8.088731720288  2.011622225106  -0.052011989796  -0.014492663738  0.021413698934  0.003510101817  -0.003640039399  -0.004459379736
  19  Al  6.080602380167  2.039984767111  8.083816014709  -0.044174648054  -0.038256317686  -0.005701681076  0.001565876679  0.004332803244  -0.005141568309
  20  Al  4.056734761579  0.015665648453  4.049554787437  -0.021118134061  -0.048080217579  -0.009748941177  0.002292600141  0.005461365216  -0.000601439408
  21  Al  4.053203390150  2.021701048858  6.077155915699  0.005358886241  0.022919203524  0.028446168535  0.001427606377  -0.001233085453  0.000165751511
  22  Al  6.073805203040  0.001329731001  6.075687316058  0.013543306920  0.048044675002  0.010882916556  -0.000846200605  0.000206266023  -0.000189277264
  23  Al  6.087956187320  2.025146244651  4.045902168410  -0.039379888976  -0.004178319817  0.054594465880  0.003827096963  0.000571482587  -0.002357175999
  24  Al  4.051857134376  4.045523467727  0.016258537374  0.013786102495  -0.005545679684  -0.052100717778  0.001027397481  -0.001689943205  0.005792984088
  25  Al  4.045249153871  6.091699920645  2.037830196971  0.009631643022  -0.032241687365  -0.026823383420  -0.001419727862  0.005741671347  0.003719456588
  26  Al  6.064625569331  4.060483812001  2.013767426664  0.002760753215  0.013553120082  0.015194111831  -0.004812823532  0.003328068050  -0.004422342299
  27  Al  6.068684042636  6.079860186086  0.012642088195  0.010672639885  -0.020663823581  -0.018146131243  -0.001698259537  0.001148534567  0.004056935770
  28  Al  4.053352868385  4.057028052914  4.062198454744  -0.008737888802  -0.012003152056  -0.050648746075  0.002106201489  0.003225386755  0.004400804009
  29  Al  4.038305545601  6.078148390120  6.095168328196  0.065119334534  -0.014691583078  -0.047922651619  -0.002620457785  0.001246983096  0.006733624396
  30  Al  6.079606739411  4.040332211641  6.078697964274  -0.007645359296  0.003479121459  0.016876805683  0.001476070040  -0.002526683665  0.002092105202
  31  Al  6.086880396260  6.070723786094  4.046772483797  -0.025758695572  0.020066278626  -0.028769439632  0.003862864588  -0.001873401942  -0.001823983098


MDSTEP:  7
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.147905782221  -0.012845282238  -0.003870379068
  -0.012845282238  -83.195076765012  -0.054901052363
  -0.003870379068  -0.054901052363  -83.019300493326
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.085516768734  8.093558659752  8.093681578269  0.037180896916  -0.000039271004  -0.032810880778  -0.003434291373  -0.001585211495  -0.002207686923
  1  Al  8.094549659533  2.014912823096  2.010792113189  0.035940064635  0.019539708576  0.001015213698  -0.001317270953  -0.001802495205  -0.003393285603
  2  Al  2.012808441796  8.086800542739  2.013714351462  0.024710713095  -0.006264117539  0.044704520815  -0.004487385889  -0.002972652756  -0.003238750548
  3  Al  2.014808202348  2.021744068177  8.096835633907  0.012401544652  0.004009802187  -0.054251160871  -0.002273716420  -0.000877349569  -0.001026997930
  4  Al  0.002933950232  8.088017494520  4.071087930940  0.024526703288  0.012489809504  -0.063357895669  0.001272613443  -0.004331022427  0.006118942660
  5  Al  8.098986229094  2.026943862030  6.082117286051  0.000924363995  -0.014335799780  -0.019022028892  -0.001058760133  0.000185946723  0.002321495764
  6  Al  2.020850256955  0.000791390456  6.072972734078  -0.019586235568  0.048339774068  0.004218273761  -0.001305105136  0.001434690513  -0.000679001406
  7  Al  2.026005648966  2.023887177650  4.059044717023  -0.008320001445  -0.017923944755  0.011368517065  0.000156431906  -0.000505531975  0.002561751772
  8  Al  8.093518305454  4.064083755463  8.082664475613  0.003636912300  -0.039966793118  0.031399098129  -0.002255821033  0.004199429924  -0.003985430975
  9  Al  0.003382625193  6.074445365411  2.021948422921  0.003121834628  0.002461873661  0.025389704865  0.001286279160  -0.000086693921  -0.001020372388
  10  Al  2.033953983278  4.034024286552  2.020988407717  -0.014048552380  0.095848837278  0.028521885931  0.001652845900  -0.004657596800  -0.002428932444
  11  Al  2.027488363818  6.074719479836  0.015212713380  -0.032671096875  0.008884493105  0.036740065420  0.000744087671  -0.000665679353  0.005599648505
  12  Al  8.092980208092  4.052464980997  4.036589379551  0.044184520727  0.014209600467  0.053702833672  -0.002018774507  -0.000573644552  -0.003253358113
  13  Al  0.002733634649  6.068870987098  6.064939618486  -0.006115047999  0.005991088220  0.024800203805  0.000660511701  -0.001617291850  -0.001739387805
  14  Al  2.022562941910  4.046595094841  6.082041627073  -0.027121124348  -0.048726466597  -0.019322331590  -0.000638617235  -0.000391000182  0.001867841518
  15  Al  2.038552025900  6.075033475891  4.035235533755  -0.057228204725  -0.007973079877  -0.017810316415  0.004563006445  0.000057524099  -0.004638832836
  16  Al  4.064912180105  0.015273612578  8.099039131638  -0.009976402870  0.002388628430  0.050605366999  0.003782786892  0.003847662479  0.000348220570
  17  Al  4.029884595136  2.013208701122  2.022248956633  0.062918465225  0.016371074297  -0.001080962636  -0.006229385671  -0.002929223252  -0.000736637379
  18  Al  6.088706767555  8.086814726200  2.009245390793  -0.058601593855  -0.017238042686  0.026717670901  0.003368226236  -0.004165970387  -0.004889563034
  19  Al  6.081483721623  2.042008767159  8.081370328598  -0.049647355002  -0.042161826138  -0.007406059414  0.001800953372  0.004334905345  -0.004721160209
  20  Al  4.057804504634  0.018267122313  4.049175373469  -0.024850134451  -0.055510491374  -0.011530952998  0.002455467270  0.004874001931  -0.000478420643
  21  Al  4.053907133404  2.021063686022  6.077079473954  0.006643210479  0.026469008793  0.033528498005  0.001066282479  -0.001618316618  0.000217157128
  22  Al  6.073345723772  0.001415415250  6.075474177884  0.018437302802  0.055600616038  0.013764112198  -0.000711714737  0.000250275828  -0.000695413745
  23  Al  6.089998322999  2.025580789236  4.044574951739  -0.044459612621  -0.005072012251  0.064454042146  0.004218573721  0.001022323868  -0.002821940856
  24  Al  4.052411298392  4.044829115367  0.019306474703  0.016650201974  -0.005163418838  -0.060702494382  0.001110572761  -0.001632038132  0.006055393647
  25  Al  4.044591321055  6.094668036624  2.039550559377  0.012332805799  -0.038864997402  -0.031248225414  -0.001056640812  0.005562378677  0.003266061161
  26  Al  6.062299294524  4.061984769322  2.011540067176  0.005939592735  0.016531991358  0.018905424148  -0.004735701151  0.003197450845  -0.004104102346
  27  Al  6.067898135483  6.080406165900  0.014582321415  0.013402928021  -0.024604766242  -0.021624800011  -0.001493027191  0.000820569281  0.004190184072
  28  Al  4.054410912834  4.058731954313  4.064389956017  -0.009697148909  -0.015863915500  -0.060768386444  0.001845365893  0.003526089193  0.004709480182
  29  Al  4.037043270734  6.078785134546  6.098577831500  0.074988779390  -0.016643709932  -0.054538257083  -0.002554166800  0.001081516242  0.007072392502
  30  Al  6.080304475223  4.039209699794  6.079875081624  -0.006775225897  0.003722322685  0.018626171376  0.001112978881  -0.002461066035  0.002710900024
  31  Al  6.088872078417  6.069733177911  4.045787270625  -0.028843103717  0.023494024366  -0.032986850338  0.003591220091  -0.002159187486  -0.002321465943


MDSTEP:  8
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.090990845085  -0.017352713986  -0.004184504651
  -0.017352713986  -83.154473090375  -0.071516283257
  -0.004184504651  -0.071516283257  -82.917885582364
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.083907983250  8.092858533173  8.092673334052  0.041849121477  -0.001711830272  -0.037994310785  -0.002828728731  -0.001754764932  -0.001920568694
  1  Al  8.094061672572  2.014058325079  2.009158867797  0.040397911392  0.021079253112  -0.000090020182  -0.001243351862  -0.001528845033  -0.003375282013
  2  Al  2.010398726945  8.085218046945  2.012119443093  0.029486761319  -0.007389374698  0.050305725883  -0.004882724460  -0.003346191008  -0.003171918146
  3  Al  2.013854675599  2.021439579433  8.096262626994  0.011663273991  0.003364343011  -0.061005335691  -0.001618695247  -0.000923034830  -0.001116599820
  4  Al  0.003429280029  8.085876021064  4.074101334219  0.028125002345  0.015413765113  -0.072088444429  0.000738951313  -0.004312119303  0.005856050295
  5  Al  8.098479814396  2.026919667807  6.083406152789  0.001265874848  -0.016663549421  -0.021970870954  -0.001302651691  -0.000404254662  0.002537355327
  6  Al  2.020330268356  0.001589001669  6.072682659239  -0.022846420767  0.053465033780  0.004787877938  -0.001373149346  0.001350515135  -0.000837985742
  7  Al  2.026030567509  2.023567893001  4.060197116183  -0.009852171060  -0.021440958071  0.013339675951  -0.000306180331  -0.000555364756  0.002221567985
  8  Al  8.092218331046  4.066255020189  8.080507831479  0.003618224778  -0.046518139458  0.036128805979  -0.002276773277  0.004496060110  -0.004216607894
  9  Al  0.004167468334  6.074370228965  2.021394199726  0.001663356797  0.002610117155  0.028597517382  0.001866227036  0.000032848136  -0.000846057894
  10  Al  2.034656778126  4.031590312469  2.019634955065  -0.015475324050  0.109122791010  0.034636919741  0.001715859195  -0.004655086680  -0.002424961422
  11  Al  2.028016879780  6.074246124708  0.018082218205  -0.037855058866  0.011605828890  0.040422938625  0.001083894267  -0.000665659082  0.005776579597
  12  Al  8.092005386247  4.052046371621  4.035139157084  0.048984238553  0.017725638164  0.059260500547  -0.001652717059  -0.001018579107  -0.002641974247
  13  Al  0.002916658162  6.067922741343  6.064185953081  -0.008514126502  0.008275192297  0.027538631478  0.000271323927  -0.002168003244  -0.001203681429
  14  Al  2.022226197487  4.046302701616  6.082905998239  -0.030960186583  -0.056568009420  -0.019956681590  -0.000363499980  -0.000745539808  0.001587617020
  15  Al  2.040960951080  6.075173439541  4.032934054965  -0.067020688504  -0.007291604020  -0.020013689815  0.004590597997  0.000196639214  -0.004694664762
  16  Al  4.066882757697  0.017242625433  8.099116294644  -0.012310351774  0.001768006486  0.057169271473  0.004070035237  0.003873310650  0.000176604774
  17  Al  4.026737920511  2.011567268795  2.021904238070  0.070983620340  0.019247799970  -0.000780757477  -0.005994631924  -0.003292416862  -0.000958574915
  18  Al  6.090393901420  8.084565749901  2.006732662072  -0.064979602292  -0.020466730714  0.032649523155  0.003167209879  -0.004567510665  -0.004718141317
  19  Al  6.082403333540  2.044319672456  8.079094854500  -0.054573675417  -0.047569736837  -0.009447346263  0.002085038704  0.004436088028  -0.004440014902
  20  Al  4.059190228848  0.020539650384  4.049076366794  -0.029717862758  -0.063491369335  -0.013828840399  0.002896730759  0.004304591721  -0.000302853361
  21  Al  4.054269672629  2.020082732240  6.077373072826  0.007407974121  0.030737012775  0.037823811036  0.000756841318  -0.001753498325  0.000385946282
  22  Al  6.073093488303  0.001580006829  6.074991902314  0.022906278518  0.062251111044  0.017832296779  -0.000774906745  0.000439370362  -0.000974579019
  23  Al  6.092174761041  2.026168568519  4.043080227554  -0.049714826433  -0.007000313143  0.075187278336  0.004662715058  0.000810807985  -0.002893575078
  24  Al  4.052967707137  4.043891429596  0.022313931022  0.018827033883  -0.003682490503  -0.069386357382  0.001366251967  -0.001542798446  0.006266602370
  25  Al  4.044192513060  6.097262299323  2.041096258132  0.014224237560  -0.043475965646  -0.035885845700  -0.001038121496  0.004912666817  0.002907079978
  26  Al  6.059889868180  4.063681262846  2.009663324317  0.009483130932  0.019248199110  0.021049682760  -0.004780225448  0.003653783194  -0.003571288653
  27  Al  6.067191015445  6.080680755367  0.016832272267  0.015579067427  -0.027481046827  -0.025413758948  -0.001746534604  0.000708538076  0.004236607587
  28  Al  4.055198234278  4.060554142107  4.066907934926  -0.010817405556  -0.019866954589  -0.070982218130  0.001324912121  0.003976945235  0.005048074688
  29  Al  4.035751378801  6.079229906362  6.102240720698  0.084473008463  -0.018154896589  -0.061328750397  -0.002897316787  0.001123547157  0.007541331541
  30  Al  6.080719718292  4.037871145606  6.081408864299  -0.005434652268  0.004777452500  0.019371123449  0.000953250500  -0.002653808302  0.002727177835
  31  Al  6.090471616351  6.068564598607  4.044451017854  -0.030865763916  0.028081425125  -0.035928352371  0.002830746794  -0.002651132107  -0.002420901424


MDSTEP:  9
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.027007565326  -0.023457830048  -0.007044228269
  -0.023457830048  -83.108165965676  -0.087291991228
  -0.007044228269  -0.087291991228  -82.806057236356
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.082688040004  8.091803894820  8.091761009576  0.046886561512  -0.000333891514  -0.042570780127  -0.002602383472  -0.002329552715  -0.001843993206
  1  Al  8.093306307671  2.013383978063  2.007416831177  0.047809056785  0.022601991077  0.000650657548  -0.001321851746  -0.001607057855  -0.003477120198
  2  Al  2.007925717336  8.083454351731  2.010542433316  0.036668709353  -0.007655868478  0.056966936847  -0.005039139471  -0.003147867181  -0.003192539869
  3  Al  2.013189507102  2.020821033347  8.095719034087  0.012861909977  0.005659517792  -0.068277039836  -0.001528079759  -0.001485978429  -0.001020883077
  4  Al  0.003672901545  8.083705375217  4.076943981235  0.033024835699  0.020386329177  -0.081397079313  0.000488945718  -0.004187272019  0.005620218575
  5  Al  8.097683577402  2.026539607368  6.084654641378  0.004243397862  -0.017101828005  -0.026127444409  -0.001793781122  -0.000595733782  0.002244963020
  6  Al  2.019477107609  0.002141905590  6.072134748335  -0.021657770085  0.060814792929  0.005432318516  -0.001775514399  0.001399323675  -0.001346866109
  7  Al  2.025699468634  2.023331812894  4.061266285008  -0.009026937822  -0.024618452070  0.015894756609  -0.000319456494  -0.000140012703  0.002484515339
  8  Al  8.091241532177  4.068579815572  8.078447867719  0.004688160174  -0.055871442100  0.040766638528  -0.001717891756  0.004708355000  -0.004103130723
  9  Al  0.005248852229  6.074478213547  2.021102365027  0.000488986094  0.001524036932  0.033008209045  0.002423118267  0.000324841476  -0.000541034064
  10  Al  2.035669842473  4.029369199872  2.018563446295  -0.014592662708  0.120655266993  0.039653495749  0.002154884460  -0.004105916525  -0.001950400750
  11  Al  2.028572258085  6.074053820754  0.020989292977  -0.036921098435  0.012218787616  0.044366726351  0.000845048213  -0.000273614335  0.006072657140
  12  Al  8.091327491033  4.051446401890  4.033947405304  0.053730060405  0.018755281585  0.063955081556  -0.001239204257  -0.000833030203  -0.002092068966
  13  Al  0.003004958576  6.066702983854  6.063735937057  -0.010138164969  0.010676746837  0.028345481234  -0.000151951122  -0.002645057527  -0.001247159136
  14  Al  2.022199441930  4.045849555033  6.083629244093  -0.031236678980  -0.065981653186  -0.020112992317  0.000056555204  -0.000752785349  0.001586173718
  15  Al  2.043142623897  6.075230115105  4.030540868992  -0.072507269489  -0.006718107059  -0.022627293165  0.004045882784  0.000429793155  -0.004826018186
  16  Al  4.068982215341  0.019146923228  8.099215736411  -0.016481209247  0.000172556905  0.062989314981  0.004022472957  0.003659005915  0.000063189977
  17  Al  4.023889963211  2.009916284260  2.021290381718  0.076301493456  0.023324745397  0.000615720516  -0.005699213956  -0.003446082039  -0.001402245027
  18  Al  6.091873977434  8.082247215535  2.004527249476  -0.073165295849  -0.023881779050  0.038660790764  0.002883275337  -0.004925590731  -0.004106650524
  19  Al  6.083568760327  2.046444855187  8.076930313696  -0.062328250995  -0.051547652261  -0.012272828363  0.002623028027  0.004558436759  -0.004292436352
  20  Al  4.060701235393  0.022571714034  4.048872520108  -0.036399305822  -0.071153956132  -0.015686948650  0.002977432674  0.004139184805  -0.000460032405
  21  Al  4.054663974722  2.019310187697  6.077465420236  0.006053656361  0.035492807777  0.041994328171  0.000564959611  -0.001316922074  -0.000129854482
  22  Al  6.072570817027  0.001854785612  6.074499598866  0.024823806349  0.069656439038  0.020923458263  -0.001346910543  0.000502926164  -0.001308343732
  23  Al  6.094661038058  2.026391597220  4.041681376660  -0.056618503224  -0.006860870249  0.086167998299  0.005279798389  0.000438723483  -0.002952851776
  24  Al  4.053777550360  4.043286316921  0.025573077073  0.018218932506  -0.002202350059  -0.079968453789  0.001968607414  -0.001468653264  0.006828967903
  25  Al  4.043553199559  6.099580703440  2.042457639355  0.015434313106  -0.047900047723  -0.040607330543  -0.001139134027  0.004428278963  0.003001160952
  26  Al  6.057519069076  4.065638552515  2.007968778523  0.010736123036  0.021411764482  0.024713364361  -0.005019148804  0.003934266465  -0.003577239487
  27  Al  6.066151600879  6.081114703976  0.018818929002  0.013195178265  -0.031816494795  -0.028100964558  -0.002137420899  0.001231842136  0.003953307128
  28  Al  4.055735824955  4.062708899548  4.069438030705  -0.012934936861  -0.024536784642  -0.079994196632  0.001190140763  0.004228984330  0.005092922455
  29  Al  4.034145953947  6.079908681704  6.106119163041  0.093222073044  -0.022259950383  -0.067454971405  -0.003158688664  0.001229001143  0.007738801385
  30  Al  6.081257725723  4.036555891492  6.082602259459  -0.008609634655  0.004512607784  0.020323845022  0.000741351758  -0.002390557129  0.002132760935
  31  Al  6.091702825211  6.067082045804  4.043366369201  -0.035769534844  0.032577455385  -0.040230799254  0.002437802603  -0.003313598465  -0.001816308084


MDSTEP:  10
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.956367959546  -0.028765893040  -0.007106793194
  -0.028765893040  -83.055602419356  -0.105921212927
  -0.007106793194  -0.105921212927  -82.679353541305
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.081305599778  8.090528980458  8.090829340846  0.050330166578  -0.000300898999  -0.048480667979  -0.002700658742  -0.002839968028  -0.001935109594
  1  Al  8.092739820826  2.012451267224  2.005681747599  0.052700358604  0.023619163256  0.001510187349  -0.001034846858  -0.002192058976  -0.003161543096
  2  Al  2.005359587474  8.082070179764  2.008926903224  0.040934226767  -0.009435070731  0.063401574406  -0.004819647024  -0.003110414181  -0.003554763943
  3  Al  2.012326595840  2.019953601004  8.095241743917  0.012185632197  0.007675334407  -0.075519558176  -0.001454778905  -0.001576469472  -0.001110765774
  4  Al  0.003918225746  8.081688749045  4.079721552795  0.034984904504  0.023740568165  -0.090784496864  0.000675907315  -0.003791764185  0.005774773397
  5  Al  8.096686033274  2.026323934025  6.085651115808  0.003994010499  -0.018368090002  -0.029410946221  -0.001635090764  -0.000654181267  0.002234622461
  6  Al  2.018554753956  0.002988325344  6.071335793129  -0.024930740378  0.065908805832  0.008584727166  -0.001858058313  0.001960793156  -0.001764058312
  7  Al  2.025711111016  2.023427880298  4.062681631522  -0.011532571638  -0.028673283785  0.016173975987  -0.000305408315  0.000114526043  0.002895691996
  8  Al  8.090500439290  4.070963375188  8.076404700757  0.002518135748  -0.063489116236  0.044269280706  -0.001402980650  0.004707392875  -0.004130226163
  9  Al  0.006590586601  6.074695070440  2.020853165661  -0.003119037031  0.001333345231  0.037536562801  0.002869812439  0.000764727458  -0.000554680158
  10  Al  2.036811662586  4.027484395944  2.017684554315  -0.016221799710  0.131837912097  0.045080053508  0.002444167851  -0.003732395912  -0.001737572450
  11  Al  2.028861927993  6.073972510373  0.024154875345  -0.039922450851  0.014730482253  0.047295379443  0.000297132262  -0.000438545658  0.006345436783
  12  Al  8.090766181990  4.051213341418  4.033047088117  0.056053542659  0.020208269420  0.068411998425  -0.001468980627  -0.000829129893  -0.001726500821
  13  Al  0.002764707040  6.065277683816  6.062938793946  -0.013559943393  0.014967407817  0.031380656170  -0.000809443523  -0.002568446865  -0.001747843441
  14  Al  2.022282752691  4.045549916267  6.084492171957  -0.034933447384  -0.074258826110  -0.020884718526  0.000050710906  -0.000524156343  0.001397841645
  15  Al  2.045006833864  6.075603232696  4.028108036779  -0.080850495725  -0.007299581868  -0.025370118165  0.003473734264  0.000797896730  -0.005012087946
  16  Al  4.070905230654  0.020901631348  8.099179484621  -0.018430249401  -0.001259166250  0.069347894359  0.003478221713  0.003155072962  -0.000336282712
  17  Al  4.021038706555  2.008121186757  2.020501993043  0.082984526300  0.027767210693  0.002698865072  -0.005816034843  -0.003861607767  -0.001540695034
  18  Al  6.093277176756  8.079640159170  2.002626011548  -0.077531124673  -0.027051858297  0.043899212714  0.003086072238  -0.005038354437  -0.003409413468
  19  Al  6.085026361566  2.048878109215  8.074802418147  -0.067653487632  -0.057429166118  -0.016320305133  0.002754550380  0.004816804240  -0.003905165851
  20  Al  4.062167661522  0.024678835189  4.048616334389  -0.041245469980  -0.079288772858  -0.018729339792  0.003084726781  0.003966858457  -0.000546484141
  21  Al  4.054834632240  2.018765810166  6.077243218344  0.008109386011  0.040510557766  0.047891221435  0.000145568824  -0.001202272594  -0.000378572215
  22  Al  6.071746577760  0.002082932993  6.073683558582  0.032167531976  0.076211760684  0.025759886616  -0.001418042123  0.000353640039  -0.001557052124
  23  Al  6.097454559430  2.026607292002  4.040127375778  -0.061188966839  -0.006226462800  0.097780326258  0.005459586766  0.000363741906  -0.003124976180
  24  Al  4.054936314551  4.042422776331  0.029142898924  0.018922416362  -0.000247750397  -0.091731237897  0.002421630995  -0.001522973297  0.006760869175
  25  Al  4.043053379033  6.101690578286  2.044097419084  0.017921575140  -0.051127997289  -0.045589749481  -0.000824176620  0.004533142341  0.003352638843
  26  Al  6.054870719376  4.067615529312  2.006086084830  0.015884571428  0.024337462651  0.029936676325  -0.005640798731  0.004300873849  -0.003614631712
  27  Al  6.065053594546  6.081912597503  0.020785579395  0.014994912777  -0.036537242946  -0.032246974001  -0.002453653091  0.001427219957  0.004120540918
  28  Al  4.056388375041  4.064783126437  4.072000857381  -0.013125018422  -0.028232533731  -0.089381475501  0.001427780611  0.003896119419  0.005081546909
  29  Al  4.032592690138  6.080458907506  6.109979522084  0.103721729609  -0.025954346436  -0.073321527526  -0.002953600751  0.001095916187  0.008017218092
  30  Al  6.081461070050  4.035480588477  6.083541625234  -0.007285333887  0.003995639776  0.022063192309  0.000490547626  -0.002338365727  0.001621361356
  31  Al  6.092909418954  6.065251000142  4.042634709770  -0.036877490216  0.038336244803  -0.045250555789  0.002076985101  -0.003661605004  -0.001460196353


MDSTEP:  11
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.876078466660  -0.034996651378  -0.006669999326
  -0.034996651378  -82.993578120359  -0.125154699357
  -0.006669999326  -0.125154699357  -82.546059068402
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.079987381262  8.088963926792  8.089825899981  0.053824672999  0.001377926492  -0.053863916130  -0.002507571301  -0.003288649889  -0.001736614784
  1  Al  8.092271460813  2.011191919087  2.004255288081  0.058047078025  0.025794825811  0.000695808903  -0.001123793450  -0.002399780374  -0.003010861548
  2  Al  2.003106070312  8.080343937550  2.006987669373  0.045320966149  -0.008894160474  0.070225691353  -0.004346266621  -0.003590385328  -0.004201955099
  3  Al  2.011734728196  2.019244563875  8.094608268313  0.011996214135  0.010124658284  -0.082536009477  -0.001005055716  -0.001767966066  -0.000905707593
  4  Al  0.004348808860  8.079913611031  4.082718754632  0.036499065961  0.026818717366  -0.100475868843  0.000752981525  -0.003887634109  0.006309867802
  5  Al  8.096048486638  2.025885426100  6.086889263839  0.002616109409  -0.018400036572  -0.033544809557  -0.001618756544  -0.001129360603  0.002285629381
  6  Al  2.017619049296  0.004102698746  6.070370690023  -0.026597856409  0.070669442388  0.012569623526  -0.001632530053  0.002471598465  -0.001951402731
  7  Al  2.025394060319  2.023446338937  4.064161977004  -0.011644996122  -0.032196281129  0.016772187045  -0.000782942603  0.000037270372  0.003291085984
  8  Al  8.089838551527  4.073287208448  8.074317641556  0.000147121039  -0.071365401307  0.047809533694  -0.001498838847  0.004335624719  -0.004376527728
  9  Al  0.008118664669  6.075242941005  2.020547684869  -0.007754992590  -0.000569550256  0.042118635421  0.002980920919  0.000859331602  -0.000480563652
  10  Al  2.038114010324  4.025636803960  2.016825873845  -0.017336395091  0.142166200678  0.049212343364  0.002903095451  -0.003411623562  -0.001382729942
  11  Al  2.028869390346  6.073615275095  0.027334729760  -0.040427231357  0.016535151612  0.049520182428  0.000216873987  -0.001026374608  0.006385615205
  12  Al  8.089858510406  4.050617271996  4.032220904483  0.059224674272  0.022135056902  0.073278860601  -0.002139986228  -0.000994589883  -0.001366261522
  13  Al  0.002195515053  6.064134536989  6.061988093616  -0.016289825282  0.017175317946  0.034718490858  -0.001449937459  -0.002284412050  -0.001603001155
  14  Al  2.022250152837  4.045325398690  6.085027085738  -0.037251900269  -0.083632845507  -0.020138694399  -0.000394088767  -0.000200110705  0.001363342870
  15  Al  2.046616358160  6.076028011835  4.025528781046  -0.088171962894  -0.008277019651  -0.027065065586  0.002851221516  0.001120837074  -0.005461941734
  16  Al  4.072460437054  0.022301996190  8.098879453699  -0.019977544583  -0.001644130831  0.076589080541  0.002946322291  0.002922362473  -0.000296956980
  17  Al  4.018073928368  2.006054676493  2.019749686684  0.089496615758  0.033293251436  0.004693044750  -0.005698248215  -0.003752183097  -0.001572379723
  18  Al  6.094960049672  8.077208861098  2.001117836008  -0.083503967487  -0.030822961654  0.047834540605  0.003506427229  -0.005037921304  -0.002982742853
  19  Al  6.086323310707  2.051261659427  8.073025147845  -0.073108048106  -0.062582774210  -0.021296567970  0.002884197425  0.004853909507  -0.003382918430
  20  Al  4.063785962175  0.026538572491  4.048326035967  -0.047208955012  -0.085497237525  -0.021619809331  0.003277196866  0.003750063418  -0.000543881531
  21  Al  4.054809543546  2.018107915103  6.077086848021  0.009601238650  0.046943114352  0.053861266506  -0.000038807672  -0.001414930025  -0.000215188120
  22  Al  6.071152774904  0.002208425651  6.072942546741  0.038214115420  0.083879204256  0.030357873541  -0.001487096209  0.000180682357  -0.001563499694
  23  Al  6.100120624824  2.026755339126  4.038556400481  -0.066262530771  -0.004725997960  0.110033150118  0.005634377480  0.000274238574  -0.002846706212
  24  Al  4.056199181354  4.041763343624  0.032333946248  0.018086206901  0.000609769071  -0.103274779210  0.002762958518  -0.001285670865  0.006492422041
  25  Al  4.042729022939  6.104113845782  2.045810278198  0.019856004498  -0.056005901686  -0.052209835503  -0.000467175171  0.004872374991  0.003459276046
  26  Al  6.051878270346  4.069939426364  2.004354146811  0.021007626856  0.025426714792  0.034967203914  -0.005730997213  0.004907538534  -0.003624676438
  27  Al  6.063697947788  6.082541923933  0.022939469920  0.016683797862  -0.041612617735  -0.036853314685  -0.002553272867  0.001350625996  0.004086514421
  28  Al  4.057163605566  4.066605018968  4.074519577614  -0.013390841994  -0.032364670614  -0.098100152854  0.001236391474  0.003517251443  0.004982550701
  29  Al  4.031192353196  6.081004597891  6.114136381133  0.113286800744  -0.031248532284  -0.079238587181  -0.002695029621  0.000915130221  0.007987989421
  30  Al  6.081748273349  4.034217525765  6.084223620815  -0.007486903020  0.003729399846  0.024858804997  0.000435748570  -0.002247779250  0.001511530105
  31  Al  6.093779810312  6.063420440801  4.041906172848  -0.037494357692  0.043161368161  -0.049898911439  0.002001738462  -0.003735695044  -0.001784411566


MDSTEP:  12
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.789936194901  -0.041852394806  -0.003038922511
  -0.041852394806  -82.920555986071  -0.147684598725
  -0.003038922511  -0.147684598725  -82.395946584251
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.078798028477  8.087240330569  8.089092726061  0.061959729629  0.002220165413  -0.060907258666  -0.002369470771  -0.003462960218  -0.001498786927
  1  Al  8.091616027376  2.010051486851  2.002670886051  0.067438531199  0.025645374296  0.003532328445  -0.001025698397  -0.002337921694  -0.002834539541
  2  Al  2.001013320852  8.078479794436  2.004724948125  0.051177285952  -0.008676870632  0.077917390951  -0.003990096455  -0.003905321217  -0.004523582281
  3  Al  2.011321540124  2.018185634938  8.094336036324  0.013079352055  0.011527517763  -0.091173563955  -0.000872087840  -0.001752237227  -0.000894928879
  4  Al  0.004671207271  8.077801114936  4.086031420596  0.040654258578  0.031312651274  -0.110603453583  0.000277165194  -0.003997351981  0.006890374474
  5  Al  8.095067276730  2.025194573422  6.087936745189  0.006139756283  -0.020437400855  -0.038706216879  -0.002128963580  -0.001402318513  0.002118688016
  6  Al  2.016922223903  0.005459923809  6.069384390399  -0.029438527069  0.075881738029  0.017276428833  -0.001390268955  0.002749230092  -0.001656569454
  7  Al  2.024928168413  2.023465150670  4.065972717506  -0.011780697258  -0.038328548236  0.017447549927  -0.000577682024  -0.000215292795  0.003369172470
  8  Al  8.089001600443  4.075298999907  8.072028173028  0.000519852244  -0.077378871009  0.051284537383  -0.001964449515  0.003984512295  -0.004894219531
  9  Al  0.009571507520  6.075554402042  2.020372602009  -0.010635813648  0.000687333094  0.046961019301  0.003115762823  0.000508462270  -0.000411335945
  10  Al  2.039714758036  4.024072772382  2.016301824373  -0.016394243017  0.151926802217  0.052746576109  0.003451799707  -0.002846062044  -0.000766081318
  11  Al  2.029078801980  6.072946135765  0.030540490550  -0.039391170103  0.021579861555  0.052076031147  0.000274276065  -0.001176677383  0.006213043760
  12  Al  8.088626195762  4.050218751535  4.031680826596  0.064018905854  0.022228836284  0.077789448089  -0.002639792906  -0.000840571235  -0.001061393983
  13  Al  0.001314769581  6.062993271766  6.061335792790  -0.016534976655  0.021825543818  0.037239107817  -0.001602721292  -0.001997299051  -0.001306725172
  14  Al  2.021888663924  4.045349805562  6.085855514827  -0.038040325448  -0.095144340396  -0.020123503726  -0.000543976496  0.000316272463  0.001466131929
  15  Al  2.047858055380  6.076724069770  4.022646095045  -0.093476320402  -0.007422970602  -0.029321657313  0.002577081867  0.001111412379  -0.005573120827
  16  Al  4.073851552945  0.023823993821  8.098882527641  -0.024426879781  -0.004712782528  0.084113492094  0.002545875256  0.003126703198  -0.000151132253
  17  Al  4.015340458340  2.004369003660  2.018929613319  0.092681617708  0.036878273888  0.007665338690  -0.005719342185  -0.003274729936  -0.001672948227
  18  Al  6.096783603985  8.074602237866  1.999643268694  -0.091448749250  -0.036917021514  0.054007592467  0.003469297381  -0.005040598633  -0.002610900139
  19  Al  6.087910558991  2.053732018721  8.071419499717  -0.081836469540  -0.068739683849  -0.027136229879  0.003029528926  0.004912924878  -0.003362794976
  20  Al  4.065444858389  0.028428898607  4.048072452858  -0.054863818803  -0.092359688102  -0.025980253383  0.003479783483  0.003651941457  -0.000791686771
  21  Al  4.054795824568  2.017350880141  6.077028030223  0.008036252239  0.052857836960  0.059126387330  0.000056580920  -0.001369873113  0.000128868506
  22  Al  6.070259481551  0.002263615350  6.072120058887  0.044300016794  0.090903429098  0.033603782282  -0.001489222728  0.000429028378  -0.001815002544
  23  Al  6.103088936910  2.026881530576  4.037280669566  -0.072866630536  -0.003771391685  0.121981078664  0.005818920999  0.000340915236  -0.002809570988
  24  Al  4.057699273069  4.041137105467  0.035635320966  0.014960732749  0.003148909417  -0.114369454452  0.003265421660  -0.001349396971  0.006926331453
  25  Al  4.042586203861  6.106562953276  2.047556695131  0.021229158515  -0.059362178952  -0.058854373297  -0.000556436533  0.004507030372  0.003191465987
  26  Al  6.049139722163  4.072523067845  2.002461408392  0.022009756762  0.028381803576  0.042707155538  -0.005183438843  0.004934718808  -0.003570641227
  27  Al  6.062500321679  6.083263223499  0.024872093817  0.014669413918  -0.046491340051  -0.039642098106  -0.002654812397  0.001306325467  0.003738546751
  28  Al  4.057624766515  4.068300377880  4.076983408083  -0.012958115234  -0.035525985923  -0.108098821674  0.000974399636  0.003466666785  0.004567026626
  29  Al  4.029897660516  6.081374037727  6.117967511504  0.121428597471  -0.034621077493  -0.083006755459  -0.002561457610  0.001078772859  0.007665634981
  30  Al  6.081896818620  4.033232809227  6.085053155339  -0.008993327026  0.003123376400  0.026221078167  0.000506180219  -0.001801522371  0.001973056686
  31  Al  6.094911157416  6.061515305099  4.040850298204  -0.041217154183  0.049760698745  -0.055772682864  0.002546724487  -0.003918207088  -0.002026719910


MDSTEP:  13
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.692986305479  -0.051041618182  0.000920115366
  -0.051041618182  -82.840837522644  -0.173701588366
  0.000920115366  -0.173701588366  -82.238218538907
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.077617910491  8.085500966575  8.088327113054  0.068396799881  0.003920238728  -0.066872824791  -0.002175044743  -0.003680332014  -0.001511400598
  1  Al  8.091245762416  2.008853997393  2.001420748540  0.074740762961  0.028241873299  0.004069303547  -0.000371742767  -0.002308950002  -0.002751513950
  2  Al  1.999115973856  8.076438616334  2.002464087092  0.056137962852  -0.008151322287  0.085587022847  -0.004066453760  -0.004084625435  -0.004486647504
  3  Al  2.010862640356  2.017492326648  8.093713339434  0.013710816450  0.013937133051  -0.096201801701  -0.001213299597  -0.001302131082  -0.001231956082
  4  Al  0.004625974054  8.075916259050  4.089609129106  0.045504342775  0.033422834310  -0.121612930586  -0.000293519836  -0.003779647581  0.007287697050
  5  Al  8.093919523058  2.024483107588  6.089007951855  0.007613787632  -0.020657670904  -0.043631664554  -0.001926449517  -0.001349900837  0.001809442299
  6  Al  2.016228780341  0.006851928838  6.068714120569  -0.032484847006  0.079606845292  0.019563085713  -0.001502171192  0.002530434374  -0.001181984640
  7  Al  2.024816378296  2.023231046142  4.067531149474  -0.012770655568  -0.042056695584  0.017358432459  -0.000296867275  -0.000339891907  0.003227234352
  8  Al  8.087874102012  4.077271720743  8.069423422025  0.000964636774  -0.083946564789  0.057677993650  -0.001895409435  0.003886941591  -0.005268494085
  9  Al  0.011234427491  6.075751403275  2.020136348924  -0.013291558149  -0.000422429070  0.052557510215  0.003603804354  0.000287371937  -0.000314693431
  10  Al  2.041565810031  4.022790741916  2.016059792527  -0.018237475656  0.160797123993  0.055605988152  0.003684818414  -0.002846595981  -0.000172885590
  11  Al  2.029143666411  6.072438597712  0.033547773520  -0.039406802435  0.024411732928  0.056231815692  -0.000225822868  -0.001331529278  0.005992452882
  12  Al  8.087218717500  4.049776700762  4.031159510500  0.069493316106  0.023873779017  0.081607628490  -0.003037770155  -0.001124626441  -0.000676759794
  13  Al  0.000592793761  6.062137237938  6.060681368444  -0.017663826286  0.024420719317  0.037996582433  -0.001304214374  -0.001877335443  -0.001241620739
  14  Al  2.021706176341  4.045641671154  6.086493217666  -0.040669903399  -0.105976635822  -0.020496379962  -0.000589261583  0.000560136360  0.000920327608
  15  Al  2.049193440028  6.077139424213  4.019955660219  -0.101058673331  -0.006277487328  -0.031837001069  0.002977217845  0.000799308654  -0.005263534060
  16  Al  4.075006312310  0.025428699387  8.098728321446  -0.025836659915  -0.005833184610  0.092939037681  0.001933756822  0.003419225904  -0.000079673448
  17  Al  4.012354586183  2.002779946557  2.018076738457  0.098646568867  0.041502825943  0.009329380633  -0.005772484625  -0.003377776432  -0.001720145973
  18  Al  6.098429347052  8.072168262465  1.998506935869  -0.099035951900  -0.041266898865  0.058184698621  0.003178776725  -0.005090720370  -0.001938744622
  19  Al  6.089352839633  2.056174584305  8.069662352869  -0.090474884368  -0.073605677795  -0.031007399641  0.003056839068  0.004534103818  -0.003659144163
  20  Al  4.067265745658  0.030190513948  4.047534349196  -0.061943569263  -0.098719954701  -0.028767652595  0.003591185363  0.003552006176  -0.001170395317
  21  Al  4.054866124467  2.016738041990  6.077215716527  0.009498473947  0.058864656416  0.064022771935  0.000045306838  -0.001138065294  0.000330894343
  22  Al  6.069663552177  0.002637454029  6.071127544198  0.048732256593  0.097683399027  0.037248521757  -0.000901666080  0.000958174074  -0.001894795756
  23  Al  6.105939545823  2.027096254362  4.035746829492  -0.079302326191  -0.002020337171  0.134170972384  0.005926479310  0.000394335464  -0.002766996617
  24  Al  4.059464603014  4.040413946654  0.039260277700  0.012774771234  0.003583519526  -0.125278104469  0.003459909457  -0.001321642185  0.007092229362
  25  Al  4.042172586406  6.108620876154  2.049001744186  0.023062936593  -0.062768727865  -0.064427892832  -0.000849761619  0.004163232328  0.003105350735
  26  Al  6.046694831503  4.074874145172  2.000783505584  0.024133088949  0.029404951355  0.049012023533  -0.005171005351  0.004765328583  -0.003245181892
  27  Al  6.061043135391  6.083848249400  0.026678016671  0.014671868572  -0.051291673078  -0.042213975692  -0.002615048104  0.001031870886  0.003832595694
  28  Al  4.058138005202  4.070071685753  4.079086604240  -0.011875166685  -0.039046820402  -0.117745855447  0.000907582099  0.003678651630  0.004546380155
  29  Al  4.028630895586  6.082083370750  6.121802016114  0.130397609900  -0.038913806578  -0.088889298585  -0.002676933162  0.001387739376  0.007301859157
  30  Al  6.082254453568  4.032416003394  6.086196677501  -0.010482499206  0.001831282916  0.026369954822  0.000755761295  -0.001300093782  0.002384708495
  31  Al  6.096326534799  6.059502233713  4.039879452938  -0.043945200730  0.055452971729  -0.060549942640  0.003133063152  -0.004143690785  -0.002126816267


MDSTEP:  14
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.584511628061  -0.057236803696  0.002377199103
  -0.057236803696  -82.753734313481  -0.198088951689
  0.002377199103  -0.198088951689  -82.069100756164
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.076622983734  8.083559998555  8.087581325464  0.074164279797  0.005143267379  -0.076041643775  -0.002073591350  -0.004097209166  -0.001847217337
  1  Al  8.091244284610  2.007742536848  1.999919372101  0.078617863549  0.029189415421  0.005318831040  0.000353131868  -0.002555865614  -0.003003966657
  2  Al  1.996946867092  8.074395169000  2.000238300620  0.060923563054  -0.009083640887  0.091272330600  -0.004061064449  -0.004095796922  -0.004693118128
  3  Al  2.010108240527  2.016883503856  8.093104080242  0.011678935173  0.015058799881  -0.102988388859  -0.001732818026  -0.000895077285  -0.001047635152
  4  Al  0.004377687436  8.074021467354  4.093319117647  0.048353278066  0.035496871463  -0.129772759617  -0.000859294331  -0.004132541847  0.007256946077
  5  Al  8.093140827213  2.023844672585  6.089746187488  0.006442298786  -0.022492754498  -0.047160461042  -0.001456709271  -0.000981752128  0.001595181227
  6  Al  2.015420052712  0.007990358183  6.068202405759  -0.040107229309  0.083652663004  0.023977929684  -0.001650434079  0.002078612815  -0.001101003889
  7  Al  2.024631301138  2.023125258762  4.069199951858  -0.015297359329  -0.047050634238  0.018553255992  -0.000407988636  -0.000204408476  0.003589769068
  8  Al  8.087106191009  4.079185941498  8.066759678943  -0.000335214286  -0.090143595273  0.061361235890  -0.001514965583  0.003484176935  -0.005075366471
  9  Al  0.013175311875  6.075841773979  2.020057908578  -0.018507530592  -0.000179589554  0.056714263390  0.003608271408  -0.000189234295  -0.000446048821
  10  Al  2.043399576450  4.021226176401  2.016128938783  -0.019686723106  0.170701156071  0.056675586771  0.003577963349  -0.003195214919  -0.000015114376
  11  Al  2.028852979113  6.071614606487  0.036532943433  -0.040439356118  0.029304303910  0.058825954249  -0.000635473608  -0.001757451710  0.005813679474
  12  Al  8.085588425607  4.049094125095  4.031004066801  0.072206409660  0.025228691995  0.087366724816  -0.002935536168  -0.001598770794  -0.000089731569
  13  Al  0.000010555207  6.061115936323  6.060094172051  -0.020853849170  0.029299278900  0.040046049587  -0.001502575449  -0.002132694802  -0.001010399215
  14  Al  2.021299402341  4.045909941922  6.086775842436  -0.045741667878  -0.116278905631  -0.018655807199  -0.000609245039  0.000423396121  0.000722600402
  15  Al  2.050835273225  6.077523378424  4.017382560985  -0.111097580750  -0.004023694857  -0.033438503057  0.002974927808  0.001128344406  -0.005043250739
  16  Al  4.075785309768  0.027243219726  8.098802854194  -0.025669175539  -0.009668120999  0.101530414735  0.001768213529  0.003564802676  0.000415646133
  17  Al  4.009567973715  2.000991227228  2.017209467347  0.106071337054  0.046750403816  0.011657646570  -0.005772790917  -0.003266534829  -0.001828646579
  18  Al  6.099962380710  8.069511517496  1.997704524072  -0.104778703318  -0.045586612104  0.062038030304  0.002699265532  -0.005361336608  -0.001639752996
  19  Al  6.090967398060  2.058266122540  8.067760355554  -0.096435781345  -0.078424728087  -0.035356660232  0.003454625460  0.004204760484  -0.003833307959
  20  Al  4.069036043752  0.031980904782  4.046902057541  -0.066765261105  -0.105138038271  -0.032444661790  0.003844560352  0.003906000334  -0.001030940293
  21  Al  4.054841131406  2.016212814847  6.077358924567  0.012497355164  0.064777030935  0.068556264277  -0.000251148386  -0.001112662966  0.000028621378
  22  Al  6.069357815471  0.003221789425  6.070225263131  0.057549463498  0.103653428453  0.041134533929  -0.000565485087  0.001028748330  -0.001924670895
  23  Al  6.109015416220  2.027275866040  4.034513672948  -0.084002690074  0.000288686264  0.146154408956  0.005990666079  0.000244434163  -0.002304265141
  24  Al  4.061159182526  4.039815463281  0.042727550328  0.011510955921  0.005139170294  -0.134926421364  0.003032594413  -0.001471600038  0.006552009853
  25  Al  4.041736442242  6.110726185604  2.050662045865  0.026657762347  -0.066265289763  -0.071331332869  -0.000671963487  0.003992559137  0.002954075089
  26  Al  6.043968716812  4.077288396428  1.999216226500  0.026807351194  0.030265232445  0.056813887045  -0.005521168525  0.004463903309  -0.003130199838
  27  Al  6.059885273575  6.084295094385  0.028704689511  0.015586681947  -0.054636977611  -0.046203496708  -0.002515482379  0.000676643002  0.003929008818
  28  Al  4.058532348613  4.071979029510  4.081529788238  -0.006775016708  -0.042765188438  -0.129103496857  0.000839970825  0.003614375757  0.005052499289
  29  Al  4.027220727355  6.082761777103  6.125269370662  0.140863163818  -0.042880207563  -0.091395708590  -0.003158691448  0.001046672344  0.006771197067
  30  Al  6.082652579914  4.031932715445  6.087437863835  -0.008200865707  -0.000147890647  0.025312705142  0.000753699279  -0.001306026343  0.002331694632
  31  Al  6.098044220568  6.057371614314  4.038723481937  -0.045236694694  0.060817468192  -0.064490711017  0.003234149007  -0.004408911943  -0.002147545623


MDSTEP:  15
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.470470590962  -0.063169451531  0.002987423872
  -0.063169451531  -82.661323850908  -0.224525000742
  0.002987423872  -0.224525000742  -81.889512495928
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.075544319141  8.081403757409  8.086479895717  0.080853790817  0.007091180496  -0.082611294048  -0.002209424141  -0.004054533060  -0.002556357319
  1  Al  8.091598894284  2.006298131779  1.998416781883  0.084132053947  0.030145550804  0.006948551819  0.000882658932  -0.003131107629  -0.003087295779
  2  Al  1.995054909407  8.072342819412  1.997770968964  0.066750231901  -0.008156071051  0.098524692518  -0.003825296930  -0.004312606071  -0.004907638790
  3  Al  2.009129822330  2.016597249363  8.092665704281  0.012790861980  0.016626517332  -0.110334268640  -0.001975594452  -0.000229897896  -0.000707388221
  4  Al  0.003766679723  8.071783717203  4.096866075183  0.052973914746  0.039063415289  -0.139492901524  -0.001212020360  -0.004582348438  0.007250039472
  5  Al  8.092462813787  2.023501355459  6.090603133082  0.007718002531  -0.024567866298  -0.050580100123  -0.000993417982  -0.000658462936  0.002069553611
  6  Al  2.014578346262  0.008930541653  6.067613116681  -0.043787563242  0.089000918660  0.028143501452  -0.001796094409  0.001589306158  -0.001351213872
  7  Al  2.024408389660  2.023026637666  4.071120918542  -0.014651785543  -0.051676067885  0.018100882604  -0.000732365980  -0.000483157908  0.003716157630
  8  Al  8.086359136429  4.080755897678  8.064348055554  0.001581469010  -0.095819980511  0.063945583992  -0.001522244110  0.003167908613  -0.004873485061
  9  Al  0.014842698899  6.075562168980  2.019690300103  -0.021839665349  0.001010055334  0.061631046197  0.003512254915  -0.000311679969  -0.000608135502
  10  Al  2.045143773380  4.019595526997  2.016044678151  -0.020016561044  0.179363809606  0.058239366441  0.003451488527  -0.003426806682  -0.000181206810
  11  Al  2.028508192803  6.070681146002  0.039361452994  -0.039884867794  0.031866379991  0.060870393713  -0.000692107889  -0.001510739389  0.005728387730
  12  Al  8.084283181331  4.048177929968  4.031069778930  0.076987655626  0.026955047246  0.091519123697  -0.002318350186  -0.001915472131  0.000377842746
  13  Al  8.099086466055  6.060004543136  6.059670969229  -0.022028876015  0.031813049127  0.042531402906  -0.001940076513  -0.001960784528  -0.000633598503
  14  Al  2.021096931302  4.046065067275  6.087215818068  -0.048422559438  -0.126947832828  -0.016541555262  -0.000711422464  0.000172160243  0.000573744488
  15  Al  2.052168367836  6.078267768619  4.014912409479  -0.117021747999  -0.003855535966  -0.035333374679  0.002914668177  0.001338557218  -0.004819770823
  16  Al  4.076774525839  0.028993502064  8.099143967579  -0.027916679468  -0.011822619292  0.108487648283  0.002234686339  0.003594769509  0.000870271417
  17  Al  4.006581795266  1.999513411728  2.016248091879  0.111545095234  0.049376424110  0.015463182486  -0.006217308764  -0.002738753143  -0.001639896669
  18  Al  6.101128612585  8.066806925857  1.996867182873  -0.111574896081  -0.049230563961  0.067533824608  0.002290239910  -0.005596983108  -0.001708534517
  19  Al  6.092807465093  2.060379344788  8.065829044911  -0.105322707368  -0.084706116339  -0.039280533822  0.003924042786  0.004555785402  -0.004022822332
  20  Al  4.071110306010  0.034096514282  4.046503408903  -0.073030179354  -0.111833219676  -0.037811945673  0.004138490626  0.004168053816  -0.000798159839
  21  Al  4.054614976081  2.015625379024  6.077244337905  0.012840986777  0.070922505920  0.073649233359  -0.000078015075  -0.000824702425  -0.000251296988
  22  Al  6.069098067090  0.003666202358  6.069202873303  0.062429546677  0.109413803702  0.044575812869  -0.000418603318  0.001131937801  -0.001782694846
  23  Al  6.111930211902  2.027340688525  4.033442564352  -0.091243326695  0.000661924529  0.156769445544  0.005751511814  -0.000112189431  -0.001993954490
  24  Al  4.062497197427  4.038942346616  0.045812287553  0.007644975562  0.006631672586  -0.145398297381  0.002454948262  -0.001909947631  0.006496358129
  25  Al  4.041500622919  6.112613435291  2.051955819275  0.028015005992  -0.069188249883  -0.075383152230  -0.000603105819  0.003476291549  0.002423781674
  26  Al  6.041173662978  4.079338048481  1.997653305746  0.027983167792  0.031860557881  0.065029989749  -0.005224612715  0.004449531211  -0.002763339112
  27  Al  6.058527653012  6.084524892402  0.030607025489  0.015739266135  -0.058139331619  -0.050897365254  -0.002555841217  0.000162806875  0.003947460272
  28  Al  4.058977976027  4.073686061510  4.084139103529  -0.005519641470  -0.046133082451  -0.139394503688  0.000930196666  0.003455372222  0.005508376130
  29  Al  4.025472204138  6.083130043094  6.128573213180  0.150466396629  -0.046695259259  -0.094772435151  -0.003098097880  0.000690519596  0.006880137111
  30  Al  6.083008152847  4.031109977051  6.088528372132  -0.008844523053  -0.000423528391  0.025023712319  0.000526425499  -0.001285821717  0.002081917246
  31  Al  6.099560683806  6.055093321770  4.037731907315  -0.049346841446  0.067392512793  -0.069155667078  0.003203890816  -0.004177808900  -0.002104276066


MDSTEP:  16
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.345264884250  -0.067270117827  0.001330158364
  -0.067270117827  -82.559520622887  -0.254884449707
  0.001330158364  -0.254884449707  -81.696303611365
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.074413559593  8.079505465495  8.085024968145  0.085650247983  0.008337507102  -0.088919629769  -0.002454250780  -0.003706555492  -0.003162723950
  1  Al  8.092126943542  2.004611429219  1.996832076322  0.088398928882  0.031167624634  0.008410956191  0.000722517163  -0.003696609362  -0.003281143040
  2  Al  1.993121570162  8.070082562929  1.995330661830  0.071529714569  -0.006418649565  0.105586549680  -0.003681234334  -0.004677343526  -0.004775757899
  3  Al  2.008132646075  2.016653605959  8.092396692021  0.011886180802  0.017835745097  -0.117609691494  -0.001825255696  0.000170938115  -0.000375601458
  4  Al  0.003165667076  8.069439118916  4.100569157119  0.056373445619  0.043258196050  -0.149109661580  -0.001549384374  -0.004642029790  0.007521542057
  5  Al  8.092147409232  2.023186209649  6.091815741099  0.006856292725  -0.026858551703  -0.054305381908  -0.000272008341  -0.000837654299  0.002657064004
  6  Al  2.013623958303  0.009579664341  6.066851191887  -0.049792937263  0.095783326773  0.033107815631  -0.001754671026  0.001508478850  -0.001574321981
  7  Al  2.023898935158  2.022642100855  4.072916109488  -0.014860074913  -0.055028247679  0.018112475038  -0.000910213180  -0.000566357443  0.003847225738
  8  Al  8.085583946898  4.082353850111  8.061886193882  0.002275708297  -0.101343730181  0.066401330915  -0.001495914049  0.002821898467  -0.004640909607
  9  Al  0.016687566790  6.075530094011  2.019449773076  -0.027362256841  0.001396184614  0.065718332269  0.003997302413  0.000150252531  -0.000242929478
  10  Al  2.046851064977  4.017799369719  2.015947731973  -0.021004441949  0.188378017490  0.059541510978  0.003226850697  -0.003927634749  -0.000259838917
  11  Al  2.028160871223  6.070103867098  0.042261331163  -0.040484711299  0.032544208349  0.062922298530  -0.000750656601  -0.001479818697  0.005733669317
  12  Al  8.083270075421  4.047178652964  4.031381909548  0.079990879414  0.029182974877  0.095748469019  -0.001820744721  -0.001787796174  0.000780510199
  13  Al  8.098066726438  6.059155151796  6.059460573548  -0.025800765919  0.033761734506  0.045411098444  -0.002144772735  -0.001703435106  -0.000579006450
  14  Al  2.020587979876  4.046082102164  6.087349586924  -0.051564124249  -0.137563130572  -0.013045761767  -0.001332743473  0.000019410995  0.000492891701
  15  Al  2.053749941401  6.078861935642  4.012562790162  -0.124784954352  -0.003519204611  -0.037832495620  0.003358977846  0.001162537972  -0.005031762856
  16  Al  4.078019996107  0.030837989235  8.099673125610  -0.028988659076  -0.014115640254  0.115216640901  0.002575142141  0.003426357044  0.001291231466
  17  Al  4.003350664951  1.998252474085  2.015569570678  0.118026729644  0.052549124095  0.018450805004  -0.006753584582  -0.002270165620  -0.001289293880
  18  Al  6.102252620620  8.063914534388  1.995995989555  -0.115373408543  -0.052158911069  0.072771920280  0.002537834622  -0.005851993062  -0.001644438770
  19  Al  6.094891440845  2.062821907941  8.063737533222  -0.112706282324  -0.090793142599  -0.043024200327  0.004328284532  0.004717191064  -0.004241650690
  20  Al  4.073174534379  0.036148958598  4.046103897702  -0.077597604461  -0.118404346890  -0.043031158173  0.004149586889  0.004141987532  -0.000872309791
  21  Al  4.054763116330  2.015388112422  6.077107627579  0.013585651248  0.076861871708  0.078889703171  0.000644867432  -0.000825331064  -0.000299996345
  22  Al  6.068939212153  0.004353727226  6.068442568285  0.069781827348  0.114460180244  0.048272859403  -0.000376125713  0.001578933310  -0.001717913956
  23  Al  6.114766928034  2.027163676608  4.032519718458  -0.096006286650  0.001022327354  0.167767377801  0.005348666627  -0.000637203655  -0.001674469011
  24  Al  4.063614130788  4.037905515651  0.049223908457  0.006174816860  0.009064574106  -0.155968840607  0.002143438242  -0.002290461754  0.006547604562
  25  Al  4.041133336423  6.114202477153  2.053085827539  0.030126123504  -0.072726373117  -0.079419436711  -0.000952543259  0.003522898431  0.002366882259
  26  Al  6.038744104096  4.081737927639  1.996452887387  0.029294454735  0.033051456191  0.071647136430  -0.005036794697  0.004872785810  -0.002127688801
  27  Al  6.057329432358  6.084457901260  0.032652149783  0.017937886429  -0.061250581519  -0.056953070895  -0.002731923369  -0.000006520204  0.004181463571
  28  Al  4.059462545279  4.075434401732  4.087038164368  -0.003554427108  -0.049090351995  -0.150340741920  0.001046604142  0.003546066082  0.005408594259
  29  Al  4.024122629475  6.083452296698  6.132149507773  0.161279314259  -0.051444888890  -0.098026438066  -0.002878259232  0.000526808688  0.006997956696
  30  Al  6.083179005414  4.030646893728  6.089519781081  -0.007021510289  -0.000405168418  0.026084653373  0.000429032062  -0.000610356103  0.002305721489
  31  Al  6.101248111384  6.053193805414  4.036619205871  -0.052265757083  0.072465865874  -0.072475424220  0.002997152809  -0.003485872607  -0.001877928139


MDSTEP:  17
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.214841926668  -0.072087486517  -0.006319317925
  -0.072087486517  -82.445208882150  -0.286302953259
  -0.006319317925  -0.286302953259  -81.489377185091
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.073090068361  8.077697201917  8.083317171768  0.090377183389  0.009724803790  -0.093990772944  -0.002644435751  -0.003748514594  -0.003235947522
  1  Al  8.092321411448  2.002601522416  1.995135638843  0.094707063976  0.033687565575  0.009618088611  0.000539850669  -0.004063074765  -0.003116738917
  2  Al  1.991373675073  8.067665475887  1.992995211065  0.075810424803  -0.004025641220  0.112798868040  -0.003552528180  -0.004584162972  -0.004979512745
  3  Al  2.007304566634  2.016768187478  8.092290102823  0.009868038965  0.020469306404  -0.124785247097  -0.001583184600  -0.000140672265  -0.000570494438
  4  Al  0.002217295349  8.067141687413  4.104387617240  0.060663207388  0.047214244024  -0.158247045684  -0.002065142520  -0.004770395452  0.007703816931
  5  Al  8.092190805447  2.022663701160  6.093260197086  0.004666560817  -0.028729367747  -0.058336126378  -0.000214175021  -0.001221772685  0.002748365419
  6  Al  2.012823675236  0.010439020502  6.066038794700  -0.056113743059  0.101696934914  0.036970346294  -0.001409389543  0.001994810255  -0.001290611210
  7  Al  2.023498176480  2.022460280223  4.074968144281  -0.015436002769  -0.058235034345  0.016681310703  -0.000585412729  -0.000670836447  0.003925534580
  8  Al  8.084863222380  4.083577796144  8.059707145947  0.004006091422  -0.106447549491  0.068646916921  -0.001702895867  0.002584375397  -0.004550841604
  9  Al  0.018840001312  6.075712421511  2.019447370625  -0.033996876358  0.000839400304  0.069466370738  0.003969395743  0.000537373517  -0.000303940463
  10  Al  2.048370624077  4.015667892249  2.015784839234  -0.021771816775  0.197706389826  0.061062197340  0.002681510373  -0.004440649637  -0.000402623753
  11  Al  2.027757536202  6.069201327305  0.045095122311  -0.041001649822  0.032411827978  0.065588419378  -0.000603414911  -0.001493064908  0.005867193127
  12  Al  8.082462436610  4.046390133793  4.031850289129  0.083466958196  0.031156542212  0.099324632265  -0.001510923406  -0.001719653616  0.001016857059
  13  Al  8.096941693320  6.058301108030  6.059091962780  -0.029229056951  0.034907841162  0.048480928845  -0.002122279703  -0.001413517730  -0.000651435382
  14  Al  2.019764187829  4.046084478270  6.087708709769  -0.054068212036  -0.148132745197  -0.009970085327  -0.001499873623  -0.000281295089  0.000961184528
  15  Al  2.055527345682  6.079430306592  4.009880646623  -0.132883399914  -0.003815559714  -0.038950499410  0.003416306334  0.000929369003  -0.005645321987
  16  Al  4.079349667980  0.032419859107  0.000438951301  -0.030147520246  -0.015705262613  0.121371963773  0.002785999744  0.003505742393  0.001870985538
  17  Al  3.999828210684  1.997243246108  2.014958797998  0.124379178584  0.055491049138  0.021857978253  -0.006905545804  -0.001803083596  -0.001546065103
  18  Al  6.103666447207  8.060954932795  1.995222744103  -0.119770159940  -0.055605647063  0.078655057433  0.003108703540  -0.005590888100  -0.001333686001
  19  Al  6.097135749625  2.065096535852  8.061587394220  -0.120043218259  -0.096398126213  -0.046487064964  0.004168282319  0.004883055311  -0.004282808207
  20  Al  4.075259892898  0.038238501814  4.045631099112  -0.082065487975  -0.125964787142  -0.048638622340  0.003922379829  0.003799244503  -0.000789394241
  21  Al  4.055259843513  2.014800047960  6.076944341560  0.013298544444  0.084662052068  0.084108488452  0.001057986001  -0.000935094414  -0.000233888216
  22  Al  6.068721941377  0.005245135669  6.067484959347  0.077609540314  0.119228098745  0.052014029169  -0.000507418573  0.001728579613  -0.001598362709
  23  Al  6.117278878528  2.026703484871  4.031768095340  -0.099569561534  0.001693449768  0.179279003612  0.005356177388  -0.001224846178  -0.001266548079
  24  Al  4.064640635669  4.036651884862  0.052359892115  0.003973462843  0.011640590699  -0.165407363434  0.002114780000  -0.002286211238  0.006538577292
  25  Al  4.040548079660  6.116136333722  2.054322701534  0.031917723081  -0.077737305738  -0.082993268492  -0.001215089267  0.003567666606  0.002192985567
  26  Al  6.036136868281  4.084210834291  1.995525616945  0.030894747453  0.034312046457  0.077711123040  -0.005170910060  0.005165424461  -0.002112452795
  27  Al  6.055795729643  6.084518372198  0.034788489060  0.021583048999  -0.065167056745  -0.063511832627  -0.003064185988  0.000076419631  0.004544207710
  28  Al  4.060024580169  4.077232127592  4.089547697788  -0.002807923042  -0.051451655345  -0.159793598828  0.001143952928  0.003468295896  0.005209563534
  29  Al  4.022593944907  6.083656851782  6.135571169877  0.172890976970  -0.056269337276  -0.101840356707  -0.003175213871  0.000382678154  0.007022661108
  30  Al  6.083437184908  4.030499620948  6.090834093621  -0.006084900230  -0.000771194344  0.025950845026  0.000737152791  -0.000160261654  0.002865157758
  31  Al  6.102557836615  6.051607449162  4.035853979176  -0.055123222732  0.077614127130  -0.076634683661  0.002608784852  -0.003321103320  -0.001427094430


MDSTEP:  18
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.073119664000  -0.081493095451  -0.008619846315
  -0.081493095451  -82.321993210876  -0.322269634231
  -0.008619846315  -0.322269634231  -81.262999757459
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.071769123841  8.075756950901  8.081789020623  0.094533460256  0.012274778970  -0.099830626999  -0.002901720203  -0.003740799983  -0.003375753055
  1  Al  8.092666794211  2.000548354453  1.993715337405  0.100551068884  0.034444365658  0.009742712358  0.000345054943  -0.003969608586  -0.003088169199
  2  Al  1.989569041982  8.065498399957  1.990351149086  0.081614916392  -0.002288251364  0.121249761919  -0.003349631797  -0.004500272422  -0.004933627479
  3  Al  2.006549461475  2.016512933695  8.091826197584  0.008748907656  0.023933510131  -0.130424064333  -0.001327211446  -0.000374300701  -0.001263756510
  4  Al  0.001100524555  8.064668723464  4.108272974050  0.064511901562  0.050962215700  -0.168099785719  -0.001930531854  -0.005142783512  0.008001562712
  5  Al  8.091933234211  2.021964436964  6.094564106518  0.003401517369  -0.031537644327  -0.061216754450  -0.000872703068  -0.001262160349  0.002463562873
  6  Al  2.012214568760  0.011574474596  6.065560580677  -0.061723694137  0.106358411334  0.040410625905  -0.000907126707  0.002054628203  -0.000805973036
  7  Al  2.023313522429  2.021971264407  4.076841644068  -0.015578093728  -0.061778928785  0.015272946666  -0.000200846712  -0.000969303008  0.003479950958
  8  Al  8.083881051031  4.084938225509  8.057335352278  0.008210817588  -0.112204133215  0.071560972900  -0.001935504623  0.002558121332  -0.004457887615
  9  Al  0.020656962532  6.076067467527  2.019145832613  -0.039285129087  0.001448897152  0.074787731486  0.003505495726  0.000947311764  -0.000881366590
  10  Al  2.049532575350  4.013358720082  2.015545108220  -0.020521465273  0.207247163096  0.061783474425  0.002678644344  -0.004245192863  -0.000267947877
  11  Al  2.027557456313  6.068610802190  0.048128524289  -0.041288222100  0.031946138042  0.067664906666  -0.000731844869  -0.000819619787  0.005986845758
  12  Al  8.081759152015  4.045458999348  4.032398766607  0.086882305751  0.033480416480  0.102714304256  -0.001612021034  -0.001635386627  0.001229775812
  13  Al  8.095944446735  6.057741634066  6.058809138166  -0.033381386789  0.036752428589  0.051560327693  -0.002262923840  -0.001093207255  -0.000669956962
  14  Al  2.019088106253  4.045800807076  6.088310771451  -0.056386053466  -0.158114068235  -0.006693942185  -0.001582404162  -0.000648089137  0.001232000811
  15  Al  2.057166247735  6.079791304645  4.006917468174  -0.139091833854  -0.002323813519  -0.040239775674  0.002929366908  0.000660672976  -0.006106014356
  16  Al  4.080805995851  0.034343731628  0.001547863405  -0.030861155083  -0.018495319256  0.127394809181  0.002822359043  0.003707477503  0.002170381622
  17  Al  3.996445119147  1.996449390489  2.014023505574  0.130599418935  0.056047555734  0.026347749562  -0.007023974107  -0.001898513072  -0.001524874289
  18  Al  6.105361324160  8.058323646289  1.994662303554  -0.127090772446  -0.059786910916  0.085195014694  0.003180850037  -0.005174690560  -0.001285143465
  19  Al  6.099059723164  2.067704963252  8.059454725015  -0.127446321677  -0.105007691595  -0.049360497148  0.003519921568  0.005513935543  -0.004557650172
  20  Al  4.077096914208  0.039948203101  4.045314503462  -0.083836784544  -0.133046873701  -0.055362410827  0.003435176552  0.003718776634  -0.000985051538
  21  Al  4.055821102331  2.014453018008  6.076873739363  0.013968598355  0.090086864073  0.089672412587  0.001481129544  -0.000311782110  -0.000502272503
  22  Al  6.068431793580  0.006082306838  6.066844205576  0.084112954042  0.123667942914  0.054197757565  -0.000634955313  0.001455145165  -0.001053084576
  23  Al  6.120123105422  2.025938830430  4.031253170380  -0.105930536934  0.000338075998  0.189837330022  0.005342200440  -0.001646549089  -0.001146082045
  24  Al  4.065728910788  4.035619304413  0.055762485749  0.000804367693  0.013408958221  -0.175531311013  0.002118036170  -0.002038131096  0.006920051262
  25  Al  4.039918247156  6.117770143759  2.055278813106  0.034531098313  -0.079451741580  -0.085383683866  -0.000891103181  0.003312453998  0.001629722516
  26  Al  6.033573194037  4.086903352100  1.994340434592  0.030906964467  0.034608184678  0.085230951835  -0.005317847249  0.005728888059  -0.002363191740
  27  Al  6.054265246370  6.084534320892  0.037196357492  0.023035647717  -0.066156604565  -0.070613480459  -0.002937860199  -0.000282173397  0.004821679117
  28  Al  4.060606498207  4.078902697629  4.092247727902  -0.002182174061  -0.052845198827  -0.170132296626  0.001225182943  0.003203503004  0.005088715272
  29  Al  4.020947415604  6.083834974853  6.139172168881  0.185046655417  -0.059218217628  -0.106387573932  -0.002997789113  0.000307954809  0.006847511550
  30  Al  6.083916158205  4.030486632074  6.092384938838  -0.007235940552  -0.000993815168  0.025220689916  0.001277928649  0.000092229528  0.002735453392
  31  Al  6.103856896236  6.049872702093  4.035192111441  -0.059621036666  0.086243305911  -0.080568276407  0.002927523586  -0.003335677805  -0.001678932223


MDSTEP:  19
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -81.928209246642  -0.090534422894  -0.007827654545
  -0.090534422894  -82.179761468563  -0.366643555305
  -0.007827654545  -0.366643555305  -81.029364266639
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.070188348158  8.073956401934  8.079941418712  0.102326702010  0.012294168906  -0.105100705276  -0.002786278264  -0.003910698592  -0.003890234527
  1  Al  8.092666466390  1.998631913831  1.992047469644  0.110119581740  0.036241399328  0.012516893332  0.000204296676  -0.004075139912  -0.003274582442
  2  Al  1.988024043276  8.063165203464  1.988061583586  0.086773596846  0.001291568567  0.128763793662  -0.003382421371  -0.004582928633  -0.004858246482
  3  Al  2.005977355188  2.016393886777  8.091026346313  0.010362237284  0.026002327185  -0.135984440865  -0.000916231098  -0.000187768583  -0.001476725339
  4  Al  0.000286763494  8.061998903901  4.112389179952  0.072477553767  0.055740040981  -0.177563054702  -0.001284494133  -0.005107663008  0.008297811835
  5  Al  8.091318102378  2.021401540811  6.095723759959  0.005424117666  -0.034382976504  -0.066403257597  -0.001279898116  -0.001189583387  0.002488596275
  6  Al  2.011916548529  0.012493648706  6.065232821664  -0.067559348035  0.113143495621  0.042832189146  -0.000246653792  0.001467903153  -0.000950179160
  7  Al  2.023297329768  2.021490977215  4.078448095238  -0.015350037979  -0.065497808288  0.015389368875  -0.000322667579  -0.000698350904  0.003227612876
  8  Al  8.082927717757  4.086135917476  8.055249258332  0.011360182501  -0.115272739534  0.073797025658  -0.002121771845  0.002589413279  -0.004369547244
  9  Al  0.022345497038  6.076659733274  2.018566004035  -0.043459803911  -0.000001433375  0.079687487079  0.003150044043  0.001370262115  -0.000890410611
  10  Al  2.051049268421  4.011422699386  2.015516891357  -0.019721691795  0.215325474849  0.062517342352  0.002827972247  -0.003663843598  0.000249439641
  11  Al  2.027025691333  6.068381707518  0.051081968069  -0.039998316710  0.031452814869  0.068975954730  -0.001081999611  -0.000460777644  0.005546475511
  12  Al  8.080850415576  4.044754747166  4.033080064941  0.091994578275  0.035020766133  0.105516964975  -0.002149400520  -0.001349270385  0.001460572913
  13  Al  8.094678769480  6.057207900775  6.058422005817  -0.035107709723  0.038180607899  0.055153208392  -0.002812214949  -0.001160704443  -0.000995679613
  14  Al  2.018181783667  4.045436389133  6.088940710580  -0.056294897409  -0.169009400498  -0.004960405475  -0.001599474502  -0.000886261775  0.001595596493
  15  Al  2.058456712590  6.080090979568  4.003774632267  -0.145876022012  -0.000816262209  -0.040884283779  0.002514176940  0.000766431866  -0.006354166801
  16  Al  4.082172027023  0.036127336610  0.002609332923  -0.033490254997  -0.019974776720  0.132277277809  0.002489040274  0.003697802977  0.002028896418
  17  Al  3.992804236578  1.995344733036  2.013433923709  0.135410873419  0.059941663328  0.028892851380  -0.007389003148  -0.001959383522  -0.001375045440
  18  Al  6.106847297243  8.055780242235  1.993937600638  -0.134066359402  -0.064013936121  0.089992972270  0.003191130956  -0.005431608195  -0.001794545636
  19  Al  6.100655671193  2.070610471395  8.057029744048  -0.138200551123  -0.110992002857  -0.051954672750  0.002812410635  0.005573656097  -0.004626752392
  20  Al  4.078695069451  0.041957278449  4.044646047574  -0.090113585325  -0.138274902637  -0.060219786064  0.003449809362  0.003971215080  -0.001334801911
  21  Al  4.056740973057  2.014488265850  6.076442069057  0.011268112878  0.096278339121  0.095906063404  0.002036705641  0.000416438927  -0.000484948994
  22  Al  6.068086986064  0.006700280833  6.066431874771  0.089553617598  0.128809763523  0.057039584446  -0.000437666229  0.001602116178  -0.000773260570
  23  Al  6.122621078968  2.025056935782  4.030622013295  -0.112166356796  0.002452573397  0.201365350094  0.004924407376  -0.002056680448  -0.000925427585
  24  Al  4.066758671839  4.034613753766  0.059279943377  -0.001346166515  0.014910617790  -0.186870518936  0.002154738035  -0.001720118802  0.006777263761
  25  Al  4.039656976479  6.119448787720  2.055952424050  0.034571450395  -0.083282618152  -0.089664929192  -0.000441126187  0.003199459979  0.001669233885
  26  Al  6.030819021031  4.089939722350  1.993162425205  0.030064891128  0.034364080588  0.091622706930  -0.005126289849  0.006057868247  -0.002221451970
  27  Al  6.052857869444  6.084236198802  0.039610168177  0.023280943627  -0.069187963274  -0.078357742477  -0.002914408726  -0.000370398284  0.004772216735
  28  Al  4.061249763112  4.080435630596  4.094636413060  -0.002066476228  -0.056325065079  -0.178916237320  0.001332125125  0.003148197996  0.004721098925
  29  Al  4.019596155793  6.083964806591  6.142418681427  0.195158340417  -0.064303210881  -0.107548389938  -0.002607396266  0.000376525572  0.006608556335
  30  Al  6.084715113557  4.030591850476  6.093569547013  -0.011369710828  -0.000521081169  0.025515521733  0.001484289715  0.000238400453  0.002130396092
  31  Al  6.105485360201  6.048271771357  4.034175046953  -0.063959490763  0.090406475213  -0.083334131900  0.003503502452  -0.003315935116  -0.002295358255


MDSTEP:  20
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -81.776549301909  -0.097566431482  -0.002013607978
  -0.097566431482  -82.027117749694  -0.409246913541
  -0.002013607978  -0.409246913541  -80.783611531406
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.068982845577  8.071846252308  8.077898786096  0.107553918709  0.013281443941  -0.109383357991  -0.002127639991  -0.004468064105  -0.004350118360
  1  Al  8.092871090886  1.996473214542  1.990440754963  0.116718389822  0.037453609252  0.014436080401  0.000349127444  -0.004226666175  -0.003401118479
  2  Al  1.986186620611  8.060915471324  1.985492902603  0.092187004346  0.003804557014  0.136636645951  -0.003776549574  -0.004677579037  -0.005397295965
  3  Al  2.005633230377  2.016325165112  8.090349472245  0.009451723612  0.027809855364  -0.140962570370  -0.000645670974  0.000112872837  -0.001418630298
  4  Al  8.099812278166  8.059561060457  4.116570785884  0.076562170335  0.058549335038  -0.187586496241  -0.000927240874  -0.004619487939  0.008630379258
  5  Al  8.090653336095  2.020774853577  6.097052702793  0.005735789251  -0.036869448611  -0.071805006118  -0.001577486262  -0.001512010568  0.002820597328
  6  Al  2.011967914969  0.013042377749  6.064610401517  -0.075777785530  0.120313525551  0.046394307629  0.000188452374  0.001265715749  -0.001321734436
  7  Al  2.022990854850  2.021272913503  4.080069256944  -0.014908116150  -0.069465216256  0.015232370443  -0.000906982953  -0.000585387351  0.002891733493
  8  Al  8.081759279186  4.087527638788  8.052965805034  0.014165237039  -0.118248548912  0.076690600953  -0.002089697192  0.002881491837  -0.004471510451
  9  Al  0.023807006575  6.077437729643  2.018255422001  -0.048476739687  -0.001518738058  0.084048955822  0.002536660975  0.001566808679  -0.000310620852
  10  Al  2.052360547597  4.009694876484  2.015794547861  -0.019664065952  0.223299185440  0.062462078869  0.002348711653  -0.003510361383  0.000215607108
  11  Al  2.026475456701  6.068150024546  0.053674999800  -0.040745755561  0.031775427522  0.071720709222  -0.001260702996  -0.000246291675  0.005262211786
  12  Al  8.079609751495  4.044109728964  4.033859339520  0.096601350858  0.037273846028  0.108583616060  -0.002455042532  -0.001569040327  0.001827561542
  13  Al  8.093132231785  6.056580929623  6.057813458553  -0.037836087961  0.039834397502  0.058717082406  -0.003001202485  -0.001122222187  -0.001063902362
  14  Al  2.017488631751  4.044914545300  6.089906367945  -0.058919412402  -0.178204571981  -0.004769832916  -0.001736281745  -0.001302221188  0.001917292235
  15  Al  2.059680424676  6.080557736512  4.000563301373  -0.153727794679  0.000225008827  -0.041433224504  0.002767938542  0.000798314875  -0.006287415775
  16  Al  4.083295036124  0.038041534604  0.003576759822  -0.033395724018  -0.021801974605  0.139062877252  0.002388334432  0.004142144185  0.001835054290
  17  Al  3.989056115999  1.994490006966  2.012648460134  0.142716410530  0.061886735724  0.032809036337  -0.007749118471  -0.002028681259  -0.001435544019
  18  Al  6.108552455116  8.052892038093  1.992867757919  -0.140996624432  -0.066180701172  0.096180651411  0.003114185016  -0.005480139383  -0.002245638554
  19  Al  6.101872133799  2.073278619349  8.054827972623  -0.146161876221  -0.118135966843  -0.054022729180  0.002579308370  0.005577330482  -0.004120489897
  20  Al  4.080546723570  0.043919418181  4.043979701551  -0.093480989708  -0.143524265971  -0.066420132799  0.003775589417  0.003538745295  -0.001530441437
  21  Al  4.057857807972  2.014869456935  6.076388790369  0.010155437119  0.100873709001  0.100172690082  0.002352433999  0.000624796229  -0.000456010599
  22  Al  6.067994127351  0.007684423017  6.066070945005  0.095706148035  0.132083205928  0.058290903320  -0.000323924463  0.002205085094  -0.000988383629
  23  Al  6.125047512798  2.023882149983  4.030327742794  -0.117725291496  0.004213972815  0.211457881234  0.004565101738  -0.002395206139  -0.000347766260
  24  Al  4.067883648823  4.033899185611  0.062539749509  -0.003244021708  0.015096716431  -0.196176532331  0.002499677762  -0.001457659020  0.006812966591
  25  Al  4.039477120969  6.120969603738  2.056948046992  0.036057417071  -0.085134638182  -0.094005816160  -0.000469748056  0.002955906343  0.001813441297
  26  Al  6.028446904188  4.092961220347  1.992118982622  0.029245560660  0.034521435581  0.099061131689  -0.004353737105  0.005737109344  -0.002264582970
  27  Al  6.051350837645  6.084163922608  0.041968574228  0.026430965256  -0.071661060542  -0.085782836873  -0.003107410024  -0.000359728020  0.004527645057
  28  Al  4.061938623332  4.082050895624  4.096968826827  -0.000543956536  -0.059216079533  -0.188017006304  0.001012215771  0.003105500605  0.004367700944
  29  Al  4.018340019338  6.084211500424  6.145780725216  0.206679020159  -0.068857091047  -0.111116139942  -0.002592668877  0.000180413404  0.006329433716
  30  Al  6.085400447921  4.030725032526  6.094515334931  -0.012746097711  -0.000128540695  0.024968169888  0.001144723261  0.000432207267  0.001552551741
  31  Al  6.107360398689  6.046556766977  4.032896753186  -0.067616203051  0.096650875447  -0.085444107238  0.003681237358  -0.003480390265  -0.002653650482


MDSTEP:  21
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -81.623488738392  -0.100435204607  -0.001788879838
  -0.100435204607  -81.858836961380  -0.448555853556
  -0.001788879838  -0.448555853556  -80.528777264959
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.068060708166  8.069488337829  8.075591300352  0.112738702532  0.015832045547  -0.113367583509  -0.001855577282  -0.004542315017  -0.004841788025
  1  Al  8.093015593835  1.994405247655  1.988646351165  0.123301031471  0.039671459180  0.015743363774  0.000365019914  -0.003843781931  -0.003494588477
  2  Al  1.984247493701  8.058487624427  1.982664287621  0.095860153825  0.007769392201  0.143990108635  -0.003937312018  -0.004673914771  -0.005950604770
  3  Al  2.005331684214  2.016506759614  8.089607716015  0.007473207240  0.029278739087  -0.145957242946  -0.000715320810  0.000033354260  -0.001514200319
  4  Al  8.099355770364  8.057379415962  4.121019559209  0.080451910860  0.060832917173  -0.198615038212  -0.000804231358  -0.004674892717  0.008903871241
  5  Al  8.089740616116  2.019889530243  6.098544357287  0.006520818197  -0.038434104466  -0.075758982148  -0.001543308024  -0.001842484486  0.003193079237
  6  Al  2.012105000904  0.013759364454  6.063911087228  -0.083691623636  0.127311925942  0.051772480522  0.000007443582  0.001374745807  -0.001631513521
  7  Al  2.022390346815  2.020905589864  4.081339828732  -0.015190930190  -0.072612589046  0.015974445109  -0.001338855199  -0.000539955997  0.002353391079
  8  Al  8.080838020565  4.089017409313  8.050777747881  0.015208763979  -0.122806771480  0.079636329707  -0.001953147701  0.003305604610  -0.003984019533
  9  Al  0.024882158013  6.078226541953  2.018255383183  -0.053029882874  -0.004015206436  0.087614274047  0.002054192654  0.001504890076  -0.000077705068
  10  Al  2.053397980074  4.007912338003  2.015732498465  -0.021174776821  0.229764087950  0.062059800205  0.002252155676  -0.003249417716  -0.000427254420
  11  Al  2.025764988337  6.068135415843  0.056344179855  -0.040693344832  0.030690810127  0.071493594906  -0.001095285184  -0.000054981618  0.005649044309
  12  Al  8.078395373044  4.043185706839  4.034907626484  0.099637608353  0.039172634612  0.109831382558  -0.002383036309  -0.001578592180  0.002211317228
  13  Al  8.091677566995  6.056085678588  6.057358103455  -0.041846535692  0.041008390802  0.062137614782  -0.002836005098  -0.001213468816  -0.000743447386
  14  Al  2.016445501922  4.044134167945  6.090858002815  -0.059595730853  -0.187213441774  -0.002701373501  -0.002416077415  -0.001331863060  0.002084190676
  15  Al  2.061224651132  6.080889294443  3.997487216492  -0.163856812510  0.001706002950  -0.042080067383  0.003164392268  0.000797816024  -0.006384130302
  16  Al  4.084560361455  0.040269480795  0.004444387213  -0.034403620584  -0.024333528224  0.142262702016  0.002480028467  0.004683808462  0.001789281073
  17  Al  3.985055118107  1.993316051777  2.011998379691  0.149474022290  0.066314116135  0.034383322575  -0.007855639549  -0.002592740776  -0.001415475474
  18  Al  6.109961482260  8.050300102852  1.991691962084  -0.144313299677  -0.068562492079  0.101045617949  0.003079954190  -0.005175398473  -0.002476132614
  19  Al  6.103234979563  2.076187801877  8.052909254151  -0.154216590741  -0.124420109119  -0.057801178421  0.002977879492  0.006058597558  -0.003660853741
  20  Al  4.082470658868  0.045496023743  4.043115606137  -0.097734112628  -0.147585363141  -0.069778830905  0.003641653510  0.003221873322  -0.001658314706
  21  Al  4.059093407056  2.015113062078  6.075986058458  0.009053264713  0.106176317114  0.107060005320  0.002344470110  0.000541690241  -0.001125429282
  22  Al  6.067763061601  0.008905365927  6.065443491142  0.101836360805  0.134885583987  0.061890912951  -0.000607296820  0.002141445087  -0.000947571033
  23  Al  6.127186180707  2.022661729643  4.030274247035  -0.120502917466  0.007096990974  0.220851707719  0.004576386688  -0.002293389927  -0.000395151977
  24  Al  4.069258349601  4.033156094746  0.066092909969  -0.005705814916  0.014894735415  -0.208712552956  0.002851125902  -0.001305345226  0.007353898960
  25  Al  4.039187228423  6.122404694062  2.057765865347  0.037868452606  -0.088304629604  -0.099203760645  -0.000639223696  0.002753656518  0.001685838231
  26  Al  6.026465283926  4.095676831695  1.990897842235  0.029889935001  0.034050727382  0.106394577972  -0.003893051409  0.005650321729  -0.002473321557
  27  Al  6.049750459419  6.083876470781  0.044137813234  0.029854202179  -0.074485336972  -0.094623829132  -0.003456781746  -0.000614876824  0.004365447328
  28  Al  4.062261978883  4.083541131201  4.099004114004  0.002467115530  -0.061750990000  -0.195156967084  0.000616494022  0.002840368055  0.003706194514
  29  Al  4.017003486917  6.084145219994  6.148748115143  0.218403246668  -0.073220765722  -0.111126486020  -0.002440327640  -0.000350904090  0.006221421826
  30  Al  6.085859836819  4.031024057743  6.095122098754  -0.014052341442  0.000178660682  0.026831210264  0.000902954649  0.000576758803  0.001261348300
  31  Al  6.109166597559  6.044791381092  4.031521396471  -0.070030461387  0.101109790802  -0.086089558149  0.003273192258  -0.003265194366  -0.003018125863


MDSTEP:  22
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -81.458398557122  -0.106161093777  0.000091032642
  -0.106161093777  -81.686541754403  -0.491206405308
  0.000091032642  -0.491206405308  -80.250782293904
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.067127268296  8.067303937292  8.073056998071  0.118543698241  0.017144416495  -0.117234881307  -0.002123011134  -0.004635503219  -0.005255118711
  1  Al  8.093236110800  1.992629432610  1.986946166487  0.129609815052  0.041738168479  0.017689930226  0.000097498249  -0.003861392177  -0.003076167243
  2  Al  1.982249308592  8.056241556553  1.979542297833  0.102584538729  0.011972413741  0.153827728099  -0.004256191146  -0.004311491721  -0.006093697948
  3  Al  2.004917909567  2.016358519372  8.088835271926  0.006629679087  0.031340654940  -0.150050297882  -0.001182407398  -0.000573189345  -0.001911930518
  4  Al  8.099008046808  8.054886167739  4.125474657125  0.084311488959  0.064224832611  -0.208951187223  -0.000604389405  -0.004816731456  0.009101206587
  5  Al  8.089110028071  2.018932369091  6.100245782030  0.007427163771  -0.039741264555  -0.082029104715  -0.001599310103  -0.001671527526  0.003224171788
  6  Al  2.011975358551  0.014417123556  6.062978887997  -0.089817926466  0.133074627151  0.056219599980  -0.000181617634  0.001158026136  -0.001751677661
  7  Al  2.021651999651  2.020732957506  4.082422648023  -0.013658534279  -0.076734269265  0.016373409375  -0.001340328512  -0.000685746024  0.002414570002
  8  Al  8.079806131485  4.090833243398  8.048981785501  0.017121016120  -0.127769803038  0.081693970140  -0.001967857931  0.003629149846  -0.003699066438
  9  Al  0.025861199229  6.078942619719  2.018177716933  -0.057301212714  -0.006410924064  0.091824294799  0.001706346490  0.001508984520  -0.000412250268
  10  Al  2.054612703273  4.006445458768  2.015367293441  -0.020959187433  0.235144228456  0.063432458112  0.002277516108  -0.002717185392  -0.000904686313
  11  Al  2.025380171518  6.068095042929  0.059324044109  -0.040585197323  0.030531889922  0.069503552481  -0.000736316363  0.000122735628  0.005793675879
  12  Al  8.077226715186  4.042531136784  4.036070656748  0.103345565698  0.039773968081  0.110894695703  -0.002350057099  -0.001015281034  0.001966606425
  13  Al  8.090296226687  6.055367460807  6.057070011167  -0.045134754604  0.044095943669  0.065389070078  -0.003053642740  -0.001128758991  -0.000833805543
  14  Al  2.015072554336  4.043582682241  6.091990558621  -0.059630002546  -0.195981162243  -0.002870726360  -0.003027206306  -0.001110764971  0.002498655815
  15  Al  2.062844816943  6.081355552536  3.994179171072  -0.171692631583  0.003838085179  -0.041254199096  0.003545696034  0.000959688183  -0.006477179249
  16  Al  4.085775064591  0.042725343066  0.005366040896  -0.035828611050  -0.028566208708  0.146044937681  0.002224258172  0.004628120708  0.002166238299
  17  Al  3.981200476450  1.991897266190  2.011232984660  0.155710197529  0.071119209165  0.039108095984  -0.007375858543  -0.002570930142  -0.001163513184
  18  Al  6.111632409306  8.047716639620  1.990391625304  -0.150907137092  -0.070163401051  0.108178275344  0.003478524474  -0.005189581663  -0.002567193071
  19  Al  6.104850013291  2.079337216908  8.051167118882  -0.163238299261  -0.131293904408  -0.060806017600  0.002861406514  0.006348941388  -0.003749299417
  20  Al  4.084188377080  0.047141291503  4.042321386844  -0.101884271453  -0.152399667789  -0.074956342142  0.003177713361  0.003588275332  -0.001310945917
  21  Al  4.060202278082  2.015411147176  6.075263361087  0.007890276469  0.110184083145  0.112292102343  0.002164705271  0.000591570852  -0.001323912393
  22  Al  6.067386830531  0.009825868104  6.065123373972  0.107180481950  0.137539354267  0.062903918314  -0.000551855805  0.002171342577  -0.000615818624
  23  Al  6.129623899486  2.021588760056  4.029932590817  -0.125771317882  0.009048828262  0.229508318019  0.005041724140  -0.002480276885  -0.000719617946
  24  Al  4.070734774724  4.032593840385  0.069893648470  -0.008997358499  0.014888121198  -0.219592461854  0.003245224823  -0.001380758109  0.007860193591
  25  Al  4.038837897273  6.123723260256  2.058633885222  0.039600087164  -0.089806076120  -0.103479211047  -0.000510942357  0.002317247299  0.001693572248
  26  Al  6.024553852779  4.098611542076  1.989645661065  0.029095456003  0.032316216220  0.115515602488  -0.003883324400  0.005726877036  -0.002390158091
  27  Al  6.047894055899  6.083549045784  0.046334021555  0.033405693233  -0.076530090080  -0.103214048105  -0.003826726107  -0.000865928350  0.004326294717
  28  Al  4.062555117354  4.084891263679  4.100675021342  0.004655419017  -0.064234745312  -0.203230977939  0.000432035720  0.003012764037  0.003602170221
  29  Al  4.015899691698  6.083860596334  6.152002147041  0.227664374803  -0.075568158289  -0.113910990028  -0.001944736248  -0.000206947920  0.006481533120
  30  Al  6.086303402569  4.031301791329  6.095776683231  -0.015409408294  0.000722630307  0.027319823460  0.001208150419  0.000315142667  0.001276692419
  31  Al  6.110633590946  6.043291572611  4.029878627323  -0.073959101347  0.106502003634  -0.086139337330  0.003143405459  -0.002882979727  -0.002944270155


MDSTEP:  23
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -81.280127902897  -0.114847516252  0.005630150617
  -0.114847516252  -81.505212037848  -0.537670452254
  0.005630150617  -0.537670452254  -79.958271113406
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.065937697032  8.064852834610  8.070336181641  0.124967541498  0.019129169319  -0.121063564246  -0.002393540931  -0.004968987264  -0.005137842299
  1  Al  8.093113092084  1.990543855478  1.985570183922  0.136833027315  0.045714170073  0.018803303260  0.000117933557  -0.004409690281  -0.002422612098
  2  Al  1.979991302556  8.054176132706  1.976570589673  0.108331878847  0.015951188557  0.163514908214  -0.004565862317  -0.004436686022  -0.006220755014
  3  Al  2.004149276816  2.015933570269  8.087695785497  0.005335569251  0.034655366227  -0.153062380697  -0.001667245068  -0.000617399553  -0.002529223202
  4  Al  8.098751380959  8.052562684506  4.130120765797  0.087816452815  0.067355892447  -0.219820603717  -0.000293210364  -0.004847119775  0.009234440416
  5  Al  8.088141306014  2.018218002717  6.101768529075  0.009467012399  -0.041713480154  -0.088043016609  -0.001998234352  -0.001417814318  0.003195603905
  6  Al  2.011923383270  0.014917390591  6.062159409567  -0.096887613790  0.138595184278  0.060082104043  0.000154034301  0.001236082777  -0.001492822740
  7  Al  2.021050018303  2.020219843840  4.083754398733  -0.014394144324  -0.079358781257  0.016475359392  -0.001010252769  -0.000940949713  0.002778050566
  8  Al  8.078870162633  4.092646559158  8.047078681443  0.018028955596  -0.133035471477  0.084895531332  -0.002028179273  0.003638295176  -0.003518422306
  9  Al  0.026588504503  6.079735526473  2.017843132915  -0.061124123036  -0.010175193229  0.096911910514  0.001618670121  0.001476982207  -0.000676258400
  10  Al  2.055675496182  4.005195152611  2.014827812153  -0.022901904923  0.239371864301  0.065078478905  0.002249865620  -0.002231785108  -0.000807469738
  11  Al  2.025028671974  6.068258151471  0.062137855734  -0.041407346119  0.029513820935  0.066969507690  -0.000651208516  0.000540273840  0.005974656789
  12  Al  8.076045315945  4.042170425805  4.036874232909  0.106893018594  0.039757276698  0.112077524113  -0.002347921940  -0.000955709522  0.001278019074
  13  Al  8.088623924255  6.054956919597  6.056524297912  -0.047653862450  0.045706204955  0.069295614992  -0.003287926387  -0.000820099566  -0.000813357364
  14  Al  2.013418295616  4.043023402975  6.093356658630  -0.059012662379  -0.203749615237  -0.003592241406  -0.003128613233  -0.001301068695  0.002382842026
  15  Al  2.064770347166  6.081848982626  3.991010037243  -0.181782663111  0.006229572702  -0.039574133523  0.003620143999  0.001113654285  -0.006265602969
  16  Al  4.086784619627  0.044897601503  0.006610625512  -0.036152838599  -0.032545597177  0.148112733970  0.002355964023  0.004344799841  0.002390253699
  17  Al  3.977679259564  1.990745121635  2.010834866507  0.161168577448  0.075862685962  0.042541801103  -0.006882446844  -0.002444476727  -0.000428538503
  18  Al  6.113440006733  8.045110521188  1.989124769013  -0.156731578169  -0.072147216907  0.115057659556  0.003447484185  -0.005145946579  -0.002481537620
  19  Al  6.106096386076  2.082536743265  8.049159954734  -0.170490675621  -0.137404906588  -0.062522430108  0.002218199089  0.006205866464  -0.003698235190
  20  Al  4.085648372229  0.049084299075  4.041804660220  -0.105804174016  -0.158717259013  -0.079099444091  0.003002373636  0.004212827093  -0.000871205194
  21  Al  4.061258112327  2.015704632931  6.074662146065  0.006747731869  0.115156115640  0.118020169577  0.002096052379  0.000634356946  -0.001181048604
  22  Al  6.067211205796  0.011076708503  6.064827672518  0.112247822504  0.138389279804  0.064194131177  -0.000348317906  0.002162692933  -0.000446954384
  23  Al  6.132227904847  2.020181452758  4.029554629090  -0.129738095623  0.012895393931  0.238367976675  0.005202778658  -0.002721641196  -0.000974673145
  24  Al  4.072503574425  4.031775336637  0.073953103560  -0.012807062413  0.015873960731  -0.233046629153  0.003445206802  -0.001753401719  0.008016137484
  25  Al  4.038676286066  6.124721941361  2.059459437595  0.041815371046  -0.090981182521  -0.107861968384  -0.000354420370  0.002030216638  0.001350650804
  26  Al  6.022581959526  4.101403708731  1.988507684144  0.030532441220  0.031050874726  0.124746956966  -0.004285762253  0.005587960823  -0.002138679139
  27  Al  6.045923733313  6.083010542431  0.048464107952  0.037434632829  -0.078531463430  -0.112115876725  -0.004009347260  -0.001311885845  0.004557483538
  28  Al  4.062694014603  4.086553895238  4.102606284224  0.008201692369  -0.067156298271  -0.210212221110  0.000172917045  0.003306149732  0.003827350837
  29  Al  4.015058750669  6.083938272074  6.155229648263  0.236155729401  -0.079151527444  -0.116188685424  -0.001354978697  0.000276557452  0.006638746856
  30  Al  6.087067987238  4.031339200410  6.096398791174  -0.017818155201  0.002341049819  0.027770550721  0.001746540107  -0.000062228891  0.001454932140
  31  Al  6.112310003018  6.041908401365  4.028577126315  -0.077270555227  0.111118921603  -0.086713027007  0.003347530684  -0.002512736914  -0.002715642175


MDSTEP:  24
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -81.084128550399  -0.126006788902  0.014050818689
  -0.126006788902  -81.313179045631  -0.583597101984
  0.014050818689  -0.583597101984  -79.664060831498
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.064733727365  8.062334950028  8.067919155772  0.130897760407  0.018544293524  -0.125941328447  -0.002733383683  -0.005160335292  -0.004905511819
  1  Al  8.093354044358  1.988219742330  1.984523554388  0.140026905077  0.049203485940  0.019992443431  0.000650962896  -0.004367199573  -0.001715246076
  2  Al  1.977683446276  8.051804870531  1.973321542819  0.114949708524  0.020765720258  0.173679901779  -0.004294864068  -0.004909511286  -0.006582698551
  3  Al  2.003250664499  2.015741119819  8.086306048724  0.006645537765  0.035503376414  -0.154727118099  -0.001913878017  -0.000236527574  -0.002488672777
  4  Al  8.098714836445  8.050039047965  4.134709097541  0.091349924311  0.071883432957  -0.229686115583  -0.000100963037  -0.004864376628  0.009057372372
  5  Al  8.087111793719  2.017514554773  6.103441385935  0.010489041861  -0.045922490468  -0.094896275496  -0.002341838355  -0.001716868204  0.003406767126
  6  Al  2.012129392852  0.015653206333  6.061486065257  -0.103389120206  0.141161268975  0.064035915725  0.000062921068  0.001432153157  -0.001616831300
  7  Al  2.020641746882  2.019792007793  4.085200698589  -0.013956873857  -0.084041452451  0.016570859559  -0.000776189254  -0.000978648244  0.003098459240
  8  Al  8.077777952212  4.094471538574  8.045463363195  0.017955495882  -0.135905535446  0.089070470012  -0.002280351488  0.003354044288  -0.003496944800
  9  Al  0.027479869351  6.080419601926  2.017501458533  -0.066329496130  -0.013578364374  0.099430163677  0.001501499771  0.001485343133  -0.000359244267
  10  Al  2.056862568893  4.004213673660  2.014559823703  -0.023170915975  0.244548546348  0.064905063724  0.002348296855  -0.001782836806  -0.000739481777
  11  Al  2.024728963002  6.068635316769  0.065298700898  -0.041577480609  0.028313033533  0.061937155713  -0.000324032331  0.000688100340  0.005964635447
  12  Al  8.074878793246  4.041575427262  4.037348675822  0.109200243106  0.040471950912  0.112848239246  -0.002042136017  -0.001330308371  0.000803073557
  13  Al  8.087008300301  6.054547361241  6.056256653802  -0.049161100935  0.049489147124  0.074533415779  -0.003455010250  -0.000714326705  -0.000161446914
  14  Al  2.011943941103  4.042281613545  6.094373400647  -0.057803687425  -0.208801839118  -0.002440818557  -0.003256303985  -0.001807346816  0.002166450622
  15  Al  2.066464960942  6.082469206820  3.987913568103  -0.189783235339  0.010147345971  -0.037160928649  0.003357653185  0.001000970770  -0.005962461717
  16  Al  4.088131028614  0.047070142907  0.007756294595  -0.037438863562  -0.037542280883  0.150994667420  0.002392227588  0.004120406685  0.002079091260
  17  Al  3.974318029606  1.989452789463  2.010804446157  0.168527581181  0.081541065747  0.045162189805  -0.006867778375  -0.002354143982  -0.000018146146
  18  Al  6.115079893491  8.042570693041  1.987910087684  -0.162465007539  -0.073142551931  0.121261942842  0.002901311320  -0.005331330710  -0.002261153947
  19  Al  6.107068212380  2.085543083371  8.047468883692  -0.178139064414  -0.142949299914  -0.063063998309  0.001652428620  0.005805300151  -0.003472784381
  20  Al  4.087190750716  0.051354118596  4.041450181650  -0.110255402160  -0.164885962808  -0.083277614753  0.002733311808  0.004698139862  -0.001038711779
  21  Al  4.062298330461  2.016045504123  6.074082312483  0.006359518887  0.118585263863  0.123552922712  0.001904833941  0.000788597155  -0.001161284343
  22  Al  6.067038512625  0.011988561037  6.064676419588  0.117303234108  0.140546075184  0.065951301871  -0.000457541659  0.001823911862  -0.000091054647
  23  Al  6.134826678144  2.018867118860  4.028957917672  -0.134899600162  0.014933885496  0.245937641592  0.005256356644  -0.002480569217  -0.001237539438
  24  Al  4.074179981526  4.030840438666  0.077909785953  -0.015218562203  0.018329955646  -0.244030442246  0.003423665769  -0.001669975834  0.007839775511
  25  Al  4.038483476903  6.125753476894  2.059984536027  0.044681816495  -0.092917654411  -0.113448580892  -0.000519750507  0.001863236459  0.001160797985
  26  Al  6.020268090525  4.104199502899  1.987506981926  0.031648485558  0.028493094933  0.132444161395  -0.004911373898  0.005473569065  -0.001680773956
  27  Al  6.043884708639  6.082237159939  0.050891505094  0.041367849751  -0.080054138759  -0.120395415122  -0.004205470637  -0.001460410361  0.004956464248
  28  Al  4.062728034400  4.088197413411  4.104502372178  0.012554701128  -0.070733886465  -0.218304260515  0.000328048045  0.003374899287  0.003992255355
  29  Al  4.014544713001  6.084137153786  6.158640893897  0.241745934215  -0.081424967398  -0.116843684541  -0.000969258787  0.000605919911  0.006479569369
  30  Al  6.088049942677  4.031239562438  6.097231615371  -0.021511218606  0.004266106471  0.029292556428  0.002254700540  0.000065745008  0.001929898062
  31  Al  6.113981121630  6.040778835697  4.027162985148  -0.080604109137  0.115173375131  -0.087384431499  0.003667381102  -0.002512047935  -0.002824714982


MDSTEP:  25
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -80.885395371963  -0.138543397361  0.030712179718
  -0.138543397361  -81.102568736514  -0.631276200233
  0.030712179718  -0.631276200233  -79.364440421768
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.063204313349  8.059692499318  8.065430669822  0.137682429071  0.019768895908  -0.127304168471  -0.003073008400  -0.005283204157  -0.004597086119
  1  Al  8.093764054980  1.986176655905  1.983854937846  0.146151334568  0.052736411409  0.021644934940  0.000618863250  -0.004363047422  -0.001200993067
  2  Al  1.975696438488  8.049266621420  1.969987891121  0.119080365824  0.028005569002  0.183546386704  -0.003853310699  -0.004889272748  -0.006673489886
  3  Al  2.002235398799  2.015697042695  8.085207112720  0.007705560286  0.037075401937  -0.155919254725  -0.002314090253  -0.000437497629  -0.002065582943
  4  Al  8.098650417922  8.047698307878  4.139178138169  0.095593749693  0.076998655303  -0.241583591769  0.000084330272  -0.004941508577  0.008542040456
  5  Al  8.085799467659  2.016501134513  6.105175296201  0.014694523705  -0.047031737582  -0.103483151571  -0.002479838189  -0.002090356965  0.003569637872
  6  Al  2.011986304338  0.016349543747  6.060542578266  -0.107289872861  0.146739780977  0.068049509203  -0.000399636768  0.001216226933  -0.002004809266
  7  Al  2.020273829049  2.019241195597  4.086852857973  -0.015480802842  -0.084942948275  0.015464057087  -0.000972666053  -0.000881865626  0.003000867382
  8  Al  8.076589811145  4.096000603447  8.043581736643  0.020410328056  -0.139406514384  0.096537537161  -0.002527682172  0.003182369865  -0.003388092358
  9  Al  0.028090004274  6.081220869605  2.017483888648  -0.069682949047  -0.019171527189  0.101910182036  0.000940408774  0.001721480210  -0.000325031130
  10  Al  2.058023793036  4.003412315805  2.014088330376  -0.026379535291  0.246684383039  0.067671445464  0.002410568836  -0.001858143672  -0.000885511093
  11  Al  2.024704639644  6.068946251811  0.068102491181  -0.043334508257  0.025806280928  0.059177169329  0.000043812194  0.000497832314  0.005701907049
  12  Al  8.074003179928  4.040840117433  4.037677306466  0.113915751989  0.039989539905  0.113027197358  -0.001880961130  -0.001120354731  0.000568109654
  13  Al  8.085168914004  6.054242592892  6.056362850998  -0.049932254927  0.050237992013  0.077112061467  -0.003497065999  -0.000929444540  0.000141540812
  14  Al  2.010161991631  4.041216056159  6.095523109252  -0.055555093684  -0.214925333759  -0.004851967667  -0.003620413798  -0.001890759840  0.002292864739
  15  Al  2.068128000350  6.082849953395  3.985047575527  -0.199168251252  0.011692143750  -0.035181168765  0.003264905343  0.000765638297  -0.005398154889
  16  Al  4.089176847215  0.049018008188  0.008689716773  -0.038365379676  -0.040536991445  0.154677753223  0.001807036184  0.004146619464  0.001624667594
  17  Al  3.970811481190  1.988390977654  2.010816720361  0.172536135455  0.086340067381  0.046997199964  -0.006994290293  -0.002442803997  0.000376184221
  18  Al  6.116341318053  8.039779190478  1.986863615067  -0.166215187409  -0.073043877014  0.126339685385  0.002547762717  -0.005691860348  -0.001944018359
  19  Al  6.107748814696  2.088342043416  8.045687170353  -0.185482546904  -0.148851260687  -0.062534198165  0.001365534877  0.005531236172  -0.003667744310
  20  Al  4.088381684037  0.053782438937  4.040765948441  -0.114750421011  -0.169853376324  -0.085262831269  0.002460622397  0.004521493514  -0.001398902545
  21  Al  4.063162946268  2.016493230086  6.073500861722  0.004503219826  0.122431617506  0.128200624949  0.001496239409  0.001074713698  -0.000926134302
  22  Al  6.066753664137  0.012900620365  6.064736617870  0.120662905428  0.142664519112  0.067152659663  -0.000291352779  0.001479488111  0.000312243267
  23  Al  6.137484261491  2.017700883541  4.028317089652  -0.138974889102  0.017741997380  0.254236475901  0.005072522087  -0.002127326406  -0.001021137505
  24  Al  4.075927240194  4.030105360802  0.081792879071  -0.020349946794  0.019438458071  -0.256565371449  0.003567278764  -0.001710922347  0.007812330594
  25  Al  4.038156535559  6.126585177821  2.060620235579  0.047279836597  -0.094158715957  -0.119257319498  -0.000921338002  0.001742457535  0.000996816810
  26  Al  6.017670585628  4.106877277796  1.986826910189  0.036123228806  0.026441500054  0.141265229484  -0.005504824531  0.005528596488  -0.001696669172
  27  Al  6.041718262676  6.081550132070  0.053420572200  0.045365972315  -0.081289847105  -0.128524785009  -0.004520478400  -0.001581058847  0.004700264033
  28  Al  4.063022062647  4.089928794525  4.106598539579  0.013282592697  -0.075361955718  -0.224759354539  0.000348170911  0.003656875511  0.004072333314
  29  Al  4.014089491882  6.084544191985  6.161709217632  0.246797032331  -0.085968564518  -0.117540614469  -0.000622408658  0.000675819984  0.006363505750
  30  Al  6.089322687777  4.031404945418  6.098328689235  -0.027046988559  0.005360243292  0.028260939058  0.002302835233  0.000676397696  0.002530457043
  31  Al  6.115977384120  6.039396353430  4.025752411333  -0.083776339030  0.118389192989  -0.088503271010  0.004080290427  -0.002990881244  -0.002669789918


MDSTEP:  26
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -80.672750702888  -0.155311899904  0.056806537327
  -0.155311899904  -80.881737970261  -0.684386314500
  0.056806537327  -0.684386314500  -79.065686034320
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.061660718965  8.057051745870  8.063322069653  0.143540045736  0.019864438749  -0.132214244635  -0.003096594340  -0.005611323577  -0.004038650973
  1  Al  8.093972907608  1.983856694908  1.983322561321  0.149307818601  0.054958486122  0.021147430686  0.000205352962  -0.004801070563  -0.001068742919
  2  Al  1.973830135577  8.046915597784  1.966648052933  0.125632258143  0.034787695334  0.192552023972  -0.004067324619  -0.004400252007  -0.006517740189
  3  Al  2.000936574246  2.015303622190  8.084240465781  0.010510753772  0.037028051201  -0.156143405196  -0.002468039241  -0.001151756173  -0.002102855487
  4  Al  8.098799166716  8.045097539388  4.143251137997  0.097634788791  0.081878957112  -0.249606090272  0.000535239942  -0.005507005027  0.007742763499
  5  Al  8.084631955530  2.015424197808  6.107011023807  0.017288589953  -0.050814181944  -0.110783720301  -0.002074874438  -0.002327365889  0.003468779438
  6  Al  2.011729756084  0.016869433266  6.059481255991  -0.111594072915  0.149107093903  0.073517882194  -0.000222284652  0.001002441533  -0.002434092172
  7  Al  2.019669080829  2.018910142166  4.088201565971  -0.014394884614  -0.089776141188  0.015193099170  -0.001357842711  -0.000823256208  0.002602536547
  8  Al  8.075250270039  4.097653908439  8.042075270836  0.019406530328  -0.142653121462  0.101544496069  -0.002921392343  0.003265763528  -0.003097116383
  9  Al  0.028420278124  6.082141082136  2.017176427404  -0.074533513786  -0.022982266162  0.103225760977  0.000365511617  0.001560442458  -0.000588889266
  10  Al  2.059273137729  4.002355529988  2.013674312610  -0.025654693219  0.248912566937  0.068215044174  0.002716379603  -0.002014767766  -0.000789683584
  11  Al  2.024772775196  6.069133149083  0.071000607947  -0.043198190235  0.026139984939  0.052551137294  0.000161105082  0.000589017267  0.005983185542
  12  Al  8.072997832116  4.040455072531  4.037916785475  0.116458118925  0.039143565327  0.116169871828  -0.002344441029  -0.000540215231  0.000600975733
  13  Al  8.083511234301  6.053617916701  6.056398194615  -0.052905448296  0.055308170103  0.081337753067  -0.003174015502  -0.001272337601  0.000191855862
  14  Al  2.008323527305  4.040390853705  6.096666265387  -0.053099698698  -0.219081191044  -0.005886753275  -0.003326680062  -0.001837796890  0.002422192487
  15  Al  2.069729866285  6.083234845118  3.982515413214  -0.206004132922  0.016331117314  -0.031296841004  0.003538099230  0.000465882147  -0.004701298786
  16  Al  4.089938064798  0.051216762371  0.009380962189  -0.037813633115  -0.046506243535  0.159469071020  0.001333447432  0.004740456807  0.001312485078
  17  Al  3.967323739313  1.987009985466  2.011180630378  0.179165683828  0.092196711551  0.046793945602  -0.007058834213  -0.002896328563  0.000866963774
  18  Al  6.117627656208  8.036878832692  1.985966069326  -0.173154623027  -0.072067904062  0.130057625544  0.002699720422  -0.005819608539  -0.002019832967
  19  Al  6.108433747257  2.091074319543  8.043801139381  -0.194031876280  -0.154883397075  -0.059712259722  0.001020346271  0.005469242375  -0.003900226571
  20  Al  4.089651373113  0.055875612110  4.040051279105  -0.118643075446  -0.175869460927  -0.087696306041  0.002576864919  0.004055645358  -0.001133352090
  21  Al  4.063794569870  2.017120217820  6.073156178182  0.004953550707  0.124264645583  0.133355448625  0.000973894293  0.001566528502  -0.000534946864
  22  Al  6.066747159846  0.013468049148  6.064988662855  0.123455847903  0.142414358729  0.068628851408  0.000298232124  0.001467801781  0.000496897931
  23  Al  6.139899200230  2.016739792454  4.027936780167  -0.144877921770  0.018839997943  0.259945596661  0.004834558735  -0.001827886579  -0.000406177201
  24  Al  4.077747260291  4.029129516319  0.085722116548  -0.023179252122  0.022015044923  -0.267828503117  0.003403417761  -0.001892734146  0.007574197146
  25  Al  4.037562138901  6.127495934428  2.060981352837  0.052746043278  -0.094817669506  -0.125316282367  -0.000874262687  0.001847576731  0.000557249204
  26  Al  6.014763265994  4.109728099387  1.985810312754  0.037655722304  0.022428353399  0.149400542150  -0.005510209519  0.005913175887  -0.002163133114
  27  Al  6.039364230238  6.080656101092  0.055591769126  0.048208389046  -0.081311042671  -0.137467411325  -0.004857957493  -0.002054983291  0.004370918622
  28  Al  4.063076205311  4.091854288921  4.108574705493  0.017632860679  -0.079339821331  -0.232043420291  0.000442560197  0.004083818999  0.003560514977
  29  Al  4.013922304344  6.084812973769  6.165004399648  0.252191158258  -0.088176386489  -0.118311171639  -0.000594644737  0.000833230881  0.006613767123
  30  Al  6.090352777910  4.031915960134  6.099762072414  -0.032836947177  0.008716077179  0.028676077066  0.001993152991  0.001012343619  0.003200264513
  31  Al  6.118061412057  6.037787954453  4.024493195230  -0.089866196632  0.123943511051  -0.087475248320  0.004009687547  -0.003106084726  -0.002233061338


MDSTEP:  27
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -80.461218629352  -0.167344287265  0.089216333489
  -0.167344287265  -80.638941751266  -0.736699784061
  0.089216333489  -0.736699784061  -78.762960520438
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.060107719010  8.054081175741  8.061392018848  0.150460179144  0.022547314845  -0.131252533747  -0.003439844628  -0.005898114442  -0.003618432465
  1  Al  8.093969407942  1.981375585342  1.982786194927  0.154724063261  0.059080098978  0.021525657293  0.000005618352  -0.005251422466  -0.001120725001
  2  Al  1.971629113869  8.044866369414  1.963470150933  0.125976704585  0.042582752363  0.202232391302  -0.004415003954  -0.004237420585  -0.005941614384
  3  Al  1.999767359558  2.014545286522  8.083104257234  0.009390303729  0.039768553957  -0.153042752374  -0.002220789306  -0.001737307669  -0.002239141218
  4  Al  8.099185657864  8.042191302851  4.146920901668  0.101152946823  0.087981981734  -0.262279771443  0.001105481042  -0.006107713168  0.007180630454
  5  Al  8.083724593221  2.014173768624  6.108644075639  0.020507559907  -0.050888571400  -0.117459722166  -0.002002340671  -0.002630431028  0.003244311383
  6  Al  2.011764019686  0.017351985280  6.058108486094  -0.118344746598  0.153653202085  0.078372894799  0.000293990995  0.000797344201  -0.002832971665
  7  Al  2.018915986338  2.018417939389  4.089455394521  -0.017976590230  -0.091764835547  0.011928071698  -0.001242806271  -0.001076462099  0.002321873985
  8  Al  8.073668418802  4.099266366975  8.040484620261  0.019686896804  -0.148187880673  0.111027218000  -0.003194116437  0.003425362138  -0.002962751784
  9  Al  0.028455515892  6.082781312064  2.016894999382  -0.077737427405  -0.026949689768  0.105721247789  -0.000011933792  0.000999588565  -0.000646707649
  10  Al  2.060740172640  4.001397548039  2.013298646792  -0.033003505079  0.247514578463  0.069568979725  0.002749557460  -0.002146758736  -0.000453785273
  11  Al  2.024865744726  6.069535269078  0.074085676722  -0.047085645878  0.024112857682  0.048021439682  -0.000124372238  0.000911005825  0.006484237260
  12  Al  8.071658738899  4.040299902202  4.038278282200  0.120857733879  0.035682676957  0.114332136829  -0.002642060166  -0.000615583747  0.000534610835
  13  Al  8.081994898502  6.052970255291  6.056554706859  -0.055540757566  0.057868783976  0.083342043095  -0.003018594813  -0.001116165965  0.000264529435
  14  Al  2.006835311568  4.039378259269  6.097945301739  -0.052388616271  -0.224931250493  -0.007629316510  -0.003299141560  -0.001912727324  0.002530434826
  15  Al  2.071666099581  6.083315835543  3.980346276741  -0.218964488943  0.020735600003  -0.031096482387  0.003774251798  0.000459329127  -0.004098671420
  16  Al  4.090510294647  0.053758464994  0.010002201851  -0.036617216794  -0.050588491153  0.164837850931  0.001453608881  0.005213773268  0.000922639510
  17  Al  3.963752646976  1.985494649091  2.011683684135  0.184730131456  0.099667632685  0.045128453213  -0.007252363200  -0.002961225865  0.000960355940
  18  Al  6.119041038476  8.033959581939  1.984843782100  -0.174145362328  -0.069673314085  0.134146108326  0.002832730036  -0.005445763730  -0.002408680136
  19  Al  6.108769160967  2.093811285791  8.041786943782  -0.199067263754  -0.158391779922  -0.054550931908  0.000505678540  0.005354686282  -0.004100123711
  20  Al  4.090958548956  0.057838084295  4.039632596352  -0.123306269976  -0.179834409631  -0.090792475409  0.002722524048  0.004017017794  -0.000818412222
  21  Al  4.064136840561  2.018059758589  6.072965914858  0.005161215437  0.128733114499  0.138960824159  0.000729034809  0.002076180987  -0.000607069591
  22  Al  6.067051896261  0.014368422146  6.065233515801  0.126489950361  0.142326237520  0.070328540804  0.000633462440  0.001638999905  0.000315074488
  23  Al  6.142318820226  2.015872996962  4.027910912451  -0.146415070103  0.022450088331  0.262476193431  0.004995077572  -0.001512120325  0.000333408220
  24  Al  4.079330657955  4.028212626657  0.089367076217  -0.025369234723  0.021157972679  -0.279486928275  0.002915052717  -0.001572448802  0.007339964725
  25  Al  4.037282272872  6.128432754552  2.061177484784  0.056750859536  -0.095955786457  -0.131140775599  -0.000427282841  0.001674303417  0.000413980855
  26  Al  6.012160376110  4.112790453683  1.984663777074  0.044373879490  0.016151139988  0.157999061863  -0.005202899816  0.005859900557  -0.002444154383
  27  Al  6.036860305182  6.079495148780  0.057791490822  0.054690399066  -0.082175501325  -0.144874872302  -0.004961018144  -0.002343290940  0.004605587564
  28  Al  4.063464622845  4.094012613525  4.110159054555  0.021054919318  -0.085900105007  -0.236909570151  0.001119364311  0.003925021762  0.003370159028
  29  Al  4.013494847145  6.085377422866  6.168322984755  0.258614199325  -0.094214846195  -0.118774666596  -0.001042693076  0.000980851074  0.006381750316
  30  Al  6.091315840768  4.032417289036  6.101528953749  -0.037919913931  0.010540195430  0.028422556683  0.001983317423  0.001369257701  0.003807177523
  31  Al  6.119987071667  6.036290268704  4.023519349995  -0.090739832539  0.126901679482  -0.089080870755  0.003544662960  -0.002923307271  -0.001834770036


MDSTEP:  28
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -80.241654122790  -0.174677591730  0.129087374927
  -0.174677591730  -80.388234460096  -0.795791588950
  0.129087374927  -0.795791588950  -78.452656172453
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.058220874337  8.051153631428  8.059703637188  0.159238781396  0.021699370391  -0.136267102872  -0.003888358054  -0.006134785136  -0.003053998988
  1  Al  8.093978525960  1.978605272442  1.982201836320  0.159047349583  0.063708780117  0.024148667033  0.000078503566  -0.005252632655  -0.001004239550
  2  Al  1.969415131623  8.042678177198  1.960706438549  0.130632237283  0.048601935427  0.213964637051  -0.004358969634  -0.004701586852  -0.005446297211
  3  Al  1.998715784939  2.013566314521  8.082001324564  0.012635403439  0.041716427707  -0.154283661744  -0.002317229550  -0.001798893938  -0.001983273790
  4  Al  8.099904647758  8.038989826220  4.150431768451  0.105783054730  0.092245418926  -0.270609394890  0.001622306512  -0.006616660011  0.007324542468
  5  Al  8.082629614858  2.012793766781  6.110255335190  0.025265876858  -0.052369517669  -0.125763535047  -0.002543745055  -0.002615567043  0.003159240607
  6  Al  2.012023747080  0.017666777467  6.056648284327  -0.121708831868  0.154755168097  0.081539951823  0.000752456241  0.000747737823  -0.002924416249
  7  Al  2.018426274559  2.017833680068  4.090523439956  -0.017176384885  -0.095116110167  0.012782862763  -0.000863481824  -0.000906502989  0.002339052136
  8  Al  8.072056153603  4.101079270577  8.039112519052  0.019648318771  -0.151029700288  0.116604801014  -0.002933303531  0.003556681765  -0.002509270355
  9  Al  0.028408344333  6.083140670701  2.016529719755  -0.080496459752  -0.030370425891  0.110341010177  0.000088439478  0.000768009725  -0.000832896112
  10  Al  2.062022695189  4.000208771252  2.013220527337  -0.035438575646  0.249667995559  0.072779773322  0.002477321467  -0.002063134347  -0.000203334003
  11  Al  2.024648402958  6.070044154907  0.077484845207  -0.046915727521  0.022268463212  0.036836505128  -0.000562755051  0.000968641719  0.006595467015
  12  Al  8.070355771950  4.039839488785  4.038451396310  0.125829014223  0.035729789600  0.116570072273  -0.002923613879  -0.000551500565  0.000203700789
  13  Al  8.080492639488  6.052501750736  6.056662724049  -0.056168384226  0.061528862070  0.085088004748  -0.002929730201  -0.001163404340  0.000589257544
  14  Al  2.005024385745  4.038478126381  6.099196700212  -0.046809853858  -0.227683440401  -0.011202335191  -0.003690168611  -0.001493757225  0.002229626645
  15  Al  2.073504118083  6.083694174245  3.978416741795  -0.226698352851  0.025204712077  -0.026339579527  0.003544875374  0.001078395567  -0.003594082520
  16  Al  4.091391673679  0.056430535639  0.010303601699  -0.037652389057  -0.057837289486  0.166826664795  0.001994523848  0.005509594471  0.000597829838
  17  Al  3.960071376113  1.984048759601  2.012140986318  0.191326614351  0.106772690107  0.046436117179  -0.007462966407  -0.002930233185  0.000789605852
  18  Al  6.120460386244  8.031433068963  1.983557389190  -0.179617657881  -0.069678143104  0.140823789225  0.002494218287  -0.005195484006  -0.002337020474
  19  Al  6.108939425797  2.096429005825  8.039701015670  -0.207226706184  -0.161487787379  -0.051451048185  0.000589244850  0.004850455999  -0.004262066803
  20  Al  4.092373897161  0.059892629904  4.039232866883  -0.129927348851  -0.186213511375  -0.090324393868  0.002585634038  0.004028181383  -0.001002178609
  21  Al  4.064523604680  2.019196398807  6.072549108591  0.003791903800  0.131553542633  0.142521462657  0.000868706538  0.002476290275  -0.000688993877
  22  Al  6.067380622287  0.015107049052  6.065303737343  0.125726862941  0.139651942001  0.070872865437  0.000964323381  0.001715392278  0.000262930873
  23  Al  6.144894277802  2.015227672129  4.028270188387  -0.153173304464  0.024710408882  0.266003174681  0.004886784946  -0.001356543901  0.000991395891
  24  Al  4.080662313008  4.027557067517  0.093062081273  -0.027908729602  0.022955469882  -0.294298839951  0.002417129840  -0.001086925341  0.007524885023
  25  Al  4.037134856060  6.129170237845  2.061395333692  0.060313078238  -0.096850917209  -0.134281791094  -0.000405607864  0.001209620546  0.000570514789
  26  Al  6.009560366178  4.115587999943  1.983366158371  0.046998322651  0.011545785102  0.168390707401  -0.005411794915  0.005935165285  -0.002593245728
  27  Al  6.034403212094  6.078312810151  0.060197356690  0.057306178328  -0.083065472130  -0.156470507299  -0.004770955751  -0.002519988848  0.005057570885
  28  Al  4.064195569621  4.095779310684  4.111944864521  0.022501368204  -0.089693244078  -0.240163852297  0.001817938383  0.003406156943  0.003282300329
  29  Al  4.012879611267  6.085793824843  6.171386149963  0.263341872913  -0.098242275446  -0.120404920384  -0.001001505436  0.000614865836  0.005862956824
  30  Al  6.092336095332  4.033285217835  6.103569249937  -0.046945050784  0.014658506011  0.026347814729  0.001746527766  0.001676587156  0.004169233213
  31  Al  6.121606075017  6.034864647181  4.022658425194  -0.095522480280  0.130662566820  -0.087017919084  0.003107436206  -0.003150883532  -0.001784099101


MDSTEP:  29
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -80.009034975207  -0.172492064261  0.173143113247
  -0.172492064261  -80.114934928066  -0.858747907085
  0.173143113247  -0.858747907085  -78.148407887170
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.056219360956  8.047946390605  8.058338019861  0.166226026355  0.023171576941  -0.137129014691  -0.004318665857  -0.006034613682  -0.002932260349
  1  Al  8.094047911508  1.976122952687  1.981781955377  0.161405372935  0.067315629656  0.023890792718  0.000291229246  -0.005185139534  -0.000738023289
  2  Al  1.967270144235  8.040164782562  1.958023853721  0.131691518467  0.057442903416  0.222701536873  -0.004237756183  -0.005105846682  -0.005379828513
  3  Al  1.997450130008  2.012746392584  8.081120983444  0.012752530431  0.043441514787  -0.151529774062  -0.002672765762  -0.001482344903  -0.001703749174
  4  Al  0.000811716632  8.035574642840  4.154245444136  0.107308757609  0.097632806513  -0.284160370859  0.002173324211  -0.006511664105  0.007620120052
  5  Al  8.081180848166  2.011558201580  6.111803316246  0.028883455559  -0.053810704997  -0.130451517096  -0.002912754434  -0.002446609681  0.003337803394
  6  Al  2.012516475927  0.018099723103  6.055184069845  -0.127270500815  0.156004007509  0.087945215342  0.000848364621  0.000881443682  -0.003110876283
  7  Al  2.018052504513  2.017511436400  4.091794446657  -0.018856831970  -0.097794906878  0.008534824153  -0.000743883923  -0.000817184262  0.002492506504
  8  Al  8.070735115271  4.102823048740  8.037975349906  0.017156128298  -0.155325400826  0.126377562546  -0.002475322933  0.003381857208  -0.001968746814
  9  Al  0.028543955370  6.083549321789  2.016062103269  -0.084918130485  -0.033603606066  0.112466024391  0.000148589092  0.001002378526  -0.000590775365
  10  Al  2.063217494107  3.999334413692  2.013095312788  -0.042520145729  0.248961237321  0.074595813838  0.002569467093  -0.001503679131  0.000060559778
  11  Al  2.024302989674  6.070503910797  0.080681143738  -0.050023923887  0.021073321941  0.029072417889  -0.000326265476  0.000897172926  0.006042576680
  12  Al  8.068735125021  4.039748401637  4.038481982988  0.130225638889  0.032552971627  0.114578814198  -0.003124845458  0.000193400320  0.000013510770
  13  Al  8.079065168301  6.051806850950  6.057143964403  -0.059437147892  0.066285163585  0.089132786250  -0.003191158685  -0.001532806888  0.000681069662
  14  Al  2.003145142958  4.037884502044  6.100174928385  -0.043097215565  -0.232079538041  -0.012112774653  -0.003654663908  -0.001364194696  0.002309229835
  15  Al  2.075210974955  6.084394231110  3.976752194220  -0.236436534239  0.028842313910  -0.025295774110  0.003148316015  0.001573649423  -0.003306479920
  16  Al  4.092504818495  0.059268059465  0.010600031689  -0.037417705641  -0.064240133916  0.171211114934  0.001881221350  0.005325716103  0.000246985051
  17  Al  3.956289680570  1.982564415906  2.012473289987  0.199188554110  0.113974106528  0.046038677702  -0.007670927062  -0.002884880611  0.000512389954
  18  Al  6.121535256763  8.028764097933  1.982506761625  -0.179743457205  -0.066469956021  0.145250049632  0.002294586488  -0.005478794149  -0.001932765956
  19  Al  6.109358405817  2.098661741790  8.037524876979  -0.212786220679  -0.164139477381  -0.043653940056  0.000896948945  0.004525569108  -0.004369637156
  20  Al  4.093544182994  0.061866265678  4.038630417742  -0.134016991386  -0.190337528436  -0.091563471916  0.002356433307  0.003830852984  -0.001400625744
  21  Al  4.065005547099  2.020536048864  6.072276920981  0.004308650649  0.133572277634  0.147679678919  0.000929680870  0.002591374596  -0.000369259192
  22  Al  6.068016219642  0.016083814423  6.065496446674  0.126232478828  0.137342570951  0.073579074092  0.001298080821  0.001585787811  0.000548631535
  23  Al  6.147205605172  2.014516453061  4.028902308342  -0.156786010302  0.026750557442  0.264976362105  0.004922265090  -0.001755982277  0.000911904120
  24  Al  4.081747787795  4.027125701316  0.096891961240  -0.028302568832  0.021882753410  -0.307878873743  0.001837354555  -0.000738244977  0.007434482354
  25  Al  4.036876665007  6.129642375098  2.061747999573  0.064600779591  -0.096375773766  -0.139389010871  -0.000836979503  0.001194345939  0.000335463799
  26  Al  6.006748581194  4.118725618967  1.982070531347  0.054527567721  0.002695605304  0.177063926169  -0.005538917613  0.006549303032  -0.002859178533
  27  Al  6.032089349432  6.076975159932  0.062849061707  0.063899108589  -0.082810428274  -0.167091462181  -0.004533047988  -0.002899670361  0.005396402299
  28  Al  4.065282561227  4.097418770468  4.113441354884  0.024016654551  -0.095045273092  -0.245189531577  0.002450459547  0.003567731027  0.003301326971
  29  Al  4.012493341709  6.085992288702  6.174185941578  0.268727644839  -0.101535087636  -0.119504267948  -0.000686838713  0.000409387416  0.005630847948
  30  Al  6.093062368534  4.034093876192  6.105698186961  -0.052657630954  0.018416016737  0.027145860770  0.001090788063  0.001301560357  0.004601674736
  31  Al  6.123094507874  6.033139385173  4.021735250895  -0.096879851840  0.136210480118  -0.087290748758  0.002782349271  -0.003387796991  -0.001941110805


MDSTEP:  30
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -79.766918941556  -0.175316835580  0.230331743714
  -0.175316835580  -79.835992120273  -0.929577449068
  0.230331743714  -0.929577449068  -77.829923325371
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.053902208480  8.045119017746  8.056771376840  0.176797364250  0.023297173789  -0.139924620509  -0.004234724124  -0.005941518136  -0.003224189420
  1  Al  8.094269755206  1.973420132908  1.981463813031  0.165032455910  0.070971276010  0.024502882947  0.000603005363  -0.005725038470  -0.000695638014
  2  Al  1.965177375439  8.037572330516  1.955326610036  0.134961608750  0.066046886847  0.233471477704  -0.004003081923  -0.005453673784  -0.005665533752
  3  Al  1.996043019177  2.012083969618  8.080297575389  0.016333454282  0.045223398241  -0.151955535064  -0.002436299302  -0.001571348918  -0.001335265838
  4  Al  0.002081724225  8.032478162115  4.158051888503  0.110419545888  0.101582029426  -0.294447796330  0.002173314389  -0.005986042482  0.007798218790
  5  Al  8.079716860424  2.010347157100  6.113593138584  0.035997313849  -0.056052012234  -0.138397084844  -0.003198316587  -0.002554673725  0.003196365364
  6  Al  2.012872111701  0.018548221150  6.053537408044  -0.129458522331  0.155697231068  0.092561010009  0.000914772924  0.000679562138  -0.002935504374
  7  Al  2.017682390636  2.017016495806  4.093015946460  -0.019114659488  -0.100826814136  0.008175054256  -0.000546756479  -0.000790616995  0.002415731500
  8  Al  8.069580830670  4.104461127785  8.037143772238  0.016629905711  -0.159303058285  0.133202727358  -0.002406497627  0.003471459475  -0.001595648260
  9  Al  0.028556933425  6.084143049227  2.015938944389  -0.086065328444  -0.036465054739  0.115367763577  -0.000102545759  0.000860827107  -0.000526575193
  10  Al  2.064592162282  3.998705092121  2.013281087114  -0.046738177098  0.249001723078  0.076340578306  0.002886926355  -0.001559299326  0.000139967163
  11  Al  2.024322137482  6.070941327833  0.083527421887  -0.051098276329  0.019745092649  0.018720308381  -0.000277392791  0.001062180919  0.005448829846
  12  Al  8.067230926493  4.040032889105  4.038464907080  0.137546971913  0.029289910885  0.116371053999  -0.002984329359  0.000535783713  -0.000168730405
  13  Al  8.077301480803  6.050968943848  6.057343793712  -0.058011561477  0.071589912370  0.091215817052  -0.003464703027  -0.001703992014  0.000375875139
  14  Al  2.001369721836  4.037113931686  6.101505930047  -0.036776588641  -0.234629209241  -0.015772942861  -0.003541636816  -0.001588856635  0.002411833029
  15  Al  2.076652434097  6.085267823668  3.975110261874  -0.242387779268  0.033179088887  -0.019642253919  0.002718908160  0.001791153497  -0.003271952587
  16  Al  4.093272895029  0.061756251742  0.010550586751  -0.039086435929  -0.071328974665  0.173447056933  0.001416426451  0.004841112049  0.000059874381
  17  Al  3.952400449050  1.981163878990  2.012653376273  0.205733175460  0.121327860755  0.046395977792  -0.007869035332  -0.003061139863  0.000336228696
  18  Al  6.122754972733  8.025954274814  1.981624623234  -0.182886268367  -0.063621536701  0.151151628112  0.002619627096  -0.005620728549  -0.001914692753
  19  Al  6.109836374742  2.100954574934  8.035331378514  -0.221027451251  -0.166782725319  -0.036894715532  0.000815040578  0.004776040144  -0.004486157875
  20  Al  4.094730330468  0.063723482889  4.037832241139  -0.140536599281  -0.196190999556  -0.088738622693  0.002312092075  0.003689667227  -0.001670928980
  21  Al  4.065453285549  2.021787773403  6.072179849399  0.002233442299  0.135167928645  0.150883602793  0.000991256292  0.002575814459  -0.000436735287
  22  Al  6.068678703107  0.016692836863  6.065852368878  0.123116842466  0.135015105013  0.072363224903  0.001584851682  0.000921169554  0.000797121013
  23  Al  6.149816542893  2.013471689852  4.029182092507  -0.163601985836  0.028272282054  0.267777520434  0.004919107184  -0.001956802159  0.000247736071
  24  Al  4.082499667563  4.026818822540  0.100496563627  -0.031043921426  0.021139620087  -0.323255252096  0.001573875814  -0.000866693950  0.007149223663
  25  Al  4.036297876556  6.130364583784  2.061730797491  0.067352389999  -0.096954457489  -0.142042615199  -0.000928424396  0.001415089508  -0.000364612006
  26  Al  6.004021448565  4.122137302975  1.980506979838  0.058243796064  -0.007209020281  0.187527932632  -0.005579578003  0.007039000198  -0.003144014642
  27  Al  6.029870164106  6.075413139790  0.065593758990  0.066189558899  -0.081471600780  -0.180959797976  -0.004052905582  -0.003385550263  0.005483923066
  28  Al  4.066646029169  4.099347041711  4.115246191492  0.022214655231  -0.099382633104  -0.248028880273  0.002673969141  0.004139653752  0.003211728397
  29  Al  4.012192772555  6.086203212259  6.177016997912  0.270990910607  -0.103847725939  -0.121220115355  -0.000415591285  0.000232991617  0.005865837882
  30  Al  6.093426883395  4.034586778192  6.108170924673  -0.060756199381  0.024062243850  0.025959329331  0.000388087207  0.001142169425  0.004804902700
  31  Al  6.124388424289  6.031476850191  4.020717314389  -0.101203637032  0.143457058817  -0.084154713868  0.002531739132  -0.003408802426  -0.001706201225


MDSTEP:  31
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -79.533096661164  -0.179699667313  0.288014062013
  -0.179699667313  -79.524920565074  -0.998580790305
  0.288014062013  -0.998580790305  -77.497354280787
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.051984636832  8.042004872468  8.055113830440  0.184494276040  0.025787874402  -0.141249268771  -0.003718249474  -0.006424906600  -0.003659367656
  1  Al  8.094650916871  1.970397914217  1.981086317363  0.166822611767  0.075430471634  0.024558395174  0.000564633415  -0.006127184487  -0.000605111333
  2  Al  1.963267062312  8.034711108777  1.952358319969  0.135463966418  0.078391218278  0.243301708363  -0.003958795221  -0.005353742308  -0.005626748570
  3  Al  1.995013830707  2.011175043666  8.079785717605  0.016946545167  0.047908242973  -0.152582643044  -0.001838605650  -0.001626438658  -0.001159661397
  4  Al  0.002985031021  8.029588600357  4.162043662925  0.112727811584  0.107008237708  -0.307089418640  0.002070324526  -0.006092794614  0.007666764226
  5  Al  8.077982531578  2.009003527855  6.114999681610  0.042640823508  -0.057353659932  -0.143625405730  -0.003606531305  -0.003046110007  0.002639303811
  6  Al  2.013431248851  0.018779285240  6.052248565471  -0.133363762208  0.156318142275  0.097774899219  0.001352267668  0.000437696975  -0.002764036979
  7  Al  2.017505748034  2.016720819404  4.094210178157  -0.022055617657  -0.103831618197  0.005877733196  -0.000087322846  -0.000847842043  0.002363986103
  8  Al  8.068328617644  4.106294508215  8.036379701646  0.014868440882  -0.166285152123  0.140583425060  -0.002353917411  0.003423915118  -0.001734232738
  9  Al  0.028441409610  6.084410148895  2.015535528076  -0.089419838694  -0.038767202841  0.118284788660  -0.000591778445  0.000656692590  -0.000759323799
  10  Al  2.066104420462  3.997775114366  2.013235279951  -0.054361613912  0.247046420617  0.077490573604  0.003350040870  -0.001991098677  0.000090991695
  11  Al  2.024025596884  6.071566091717  0.086129973584  -0.052341600512  0.017459847031  0.007756864082  -0.000225127672  0.001245903365  0.004862895784
  12  Al  8.065750795661  4.040284185350  4.038313252583  0.142551335612  0.024155548110  0.116734501633  -0.002791522580  0.000706302052  -0.000647534360
  13  Al  8.075600465274  6.050102858937  6.057519839542  -0.059025062939  0.076322928386  0.094431570891  -0.003363089423  -0.001677041502  0.000553019622
  14  Al  1.999603506141  4.036295645409  6.102586761414  -0.031606692261  -0.238515512022  -0.017314257656  -0.003245427024  -0.001719785507  0.002363802843
  15  Al  2.077929883114  6.086185384607  3.973480241634  -0.249473711120  0.036857764737  -0.014069119000  0.002170192122  0.001972522839  -0.003025279000
  16  Al  4.093921244946  0.064109171514  0.010659906070  -0.038569981621  -0.077373295119  0.174750428410  0.001162645925  0.004697798930  0.000044408584
  17  Al  3.948420645238  1.979503276043  2.012809518684  0.214238686289  0.129360541788  0.045606852866  -0.007860377172  -0.003376844913  0.000248260838
  18  Al  6.124154883859  8.023143369384  1.980592068872  -0.183804786028  -0.058579783802  0.156507136111  0.002424227142  -0.005918474475  -0.001944594322
  19  Al  6.110173446395  2.103437781934  8.033038719103  -0.226877309768  -0.170243279064  -0.027750481050  0.000451408797  0.004625317815  -0.004712429036
  20  Al  4.095856275069  0.065555932906  4.036959488762  -0.144446211138  -0.200911864254  -0.086152982984  0.002433918507  0.003300693475  -0.001682180720
  21  Al  4.065996803391  2.023111863322  6.071840185694  0.001608698098  0.136913350013  0.156017780714  0.001090783634  0.002316542456  -0.000971005209
  22  Al  6.069601071324  0.017004983978  6.066293567687  0.119828139937  0.133410759918  0.072479559618  0.001910772240  0.000816040108  0.001151889148
  23  Al  6.152124712355  2.012559650902  4.029150044413  -0.167345144196  0.029866730507  0.269041213318  0.004659048917  -0.001974521818  -0.000105038637
  24  Al  4.083321663609  4.026259007365  0.104041184903  -0.031799887974  0.019646304631  -0.339542620047  0.001535544597  -0.001374725555  0.007260436927
  25  Al  4.035948240611  6.131057464605  2.061383387567  0.071898769184  -0.097579638879  -0.145196431920  -0.000944619351  0.001130414086  -0.000696432416
  26  Al  6.001169003191  4.125764619165  1.978926516704  0.064888069288  -0.020116719062  0.197656135259  -0.005333734642  0.007225126494  -0.003469535005
  27  Al  6.028036443850  6.073589609670  0.068332984772  0.068862425612  -0.079598087715  -0.196155986114  -0.003867258952  -0.003959478802  0.005380012807
  28  Al  4.067956530368  4.101558424219  4.116653083281  0.022667340157  -0.106012229499  -0.249592971677  0.002691455333  0.004094855118  0.002776738427
  29  Al  4.012077750423  6.086225280319  6.180051779460  0.275011389355  -0.106751998754  -0.122168556596  -0.000398962664  -0.000088644718  0.006098969385
  30  Al  6.093450455741  4.035236045617  6.110503089661  -0.067146787597  0.029746389593  0.026013589189  0.000071078890  0.001005503839  0.004758472298
  31  Al  6.125626247005  6.029730582746  4.020029049669  -0.103881321272  0.150289268664  -0.082377012138  0.002174068436  -0.003369411616  -0.001220126123


MDSTEP:  32
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -79.311015666396  -0.182352083565  0.363174148804
  -0.182352083565  -79.203232132144  -1.078343046679
  0.363174148804  -1.078343046679  -77.156224017842
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.050183959006  8.038694111145  8.053112009184  0.192446679309  0.024319033404  -0.140879640886  -0.003782695273  -0.006801852320  -0.004028776376
  1  Al  8.094834388621  1.967292948421  1.980858701698  0.167794682747  0.079736843397  0.024414732685  0.000058599237  -0.005934229512  -0.000273181248
  2  Al  1.961218580219  8.032218588208  1.949699861466  0.135143791819  0.087620453522  0.251370385867  -0.004078839724  -0.005184526545  -0.004980335371
  3  Al  1.994204413527  2.010457530960  8.079137913992  0.018279632462  0.049148058942  -0.151084594164  -0.001758935840  -0.001538588644  -0.001627189701
  4  Al  0.004152048752  8.026385367501  4.165718652729  0.113051614998  0.110610410252  -0.318503207393  0.002562919144  -0.006515229523  0.007341150967
  5  Al  8.076110329119  2.007301047093  6.116232442395  0.049483796920  -0.058735207132  -0.150018116970  -0.003460512461  -0.003395800951  0.002545022991
  6  Al  2.014224379368  0.018985918125  6.050773371065  -0.139382356564  0.154289619702  0.103960676944  0.001400722191  0.000131527798  -0.002745037800
  7  Al  2.017595067790  2.016168653763  4.095379932563  -0.025199780046  -0.106467999755  0.002334596005  0.000382066992  -0.001224064079  0.002013925256
  8  Al  8.067226913259  4.107885042903  8.035409539500  0.011390089790  -0.168553850474  0.149966143795  -0.002286507232  0.003436915120  -0.002148124996
  9  Al  0.027965154979  6.084799741817  2.015179620590  -0.092471059211  -0.041790355078  0.119319485681  -0.001308392132  0.000406078539  -0.000463889991
  10  Al  2.067942203153  3.996713993444  2.013372078810  -0.062816975446  0.246265818987  0.077090849807  0.003828461481  -0.002299257812  -0.000075174143
  11  Al  2.024097009810  6.072187231198  0.088390317672  -0.057406792134  0.015413479117  -0.001345053516  -0.000091071396  0.001078675264  0.004753575932
  12  Al  8.064439403913  4.040739191157  4.037817372720  0.144783748904  0.020333476650  0.117363472628  -0.002274802568  0.001106450156  -0.001325324267
  13  Al  8.073938391380  6.049291902346  6.057896813334  -0.060884218766  0.081155226614  0.097383417407  -0.003075905064  -0.001929590608  0.000667119321
  14  Al  1.998124294813  4.035394146178  6.103869732890  -0.027193079565  -0.239443517678  -0.019479618824  -0.002661167077  -0.001535601457  0.002681305786
  15  Al  2.078822626220  6.087240346507  3.972084982874  -0.257480412851  0.040523169276  -0.008904295875  0.001722446764  0.002271148455  -0.003022423482
  16  Al  4.094435540955  0.066454050672  0.010594995335  -0.037687819535  -0.085430129540  0.177445838845  0.000721843707  0.004289293632  -0.000279453192
  17  Al  3.944540071878  1.977787034078  2.012901637111  0.224038268697  0.137901807341  0.045119527718  -0.007446859978  -0.003193414994  0.000277851848
  18  Al  6.125179199875  8.020035800339  1.979680028911  -0.183117772103  -0.054425412535  0.160830782724  0.002335758874  -0.006446866746  -0.001795642333
  19  Al  6.110287783539  2.105579892748  8.030618949478  -0.232742766501  -0.171833369449  -0.015928058114  -0.000082827886  0.004009504593  -0.004804918649
  20  Al  4.097164248976  0.067024176364  4.036150060418  -0.147486696961  -0.204654639093  -0.083691793570  0.002906213109  0.003214847250  -0.001443657517
  21  Al  4.066544069183  2.024104315859  6.071208844190  0.002249353895  0.139565741070  0.160285046026  0.001423877694  0.001698362201  -0.001598606785
  22  Al  6.070589475348  0.017508876971  6.067004258026  0.117281348502  0.127804253166  0.070776310935  0.002195254819  0.000674617514  0.001635588543
  23  Al  6.154475591810  2.011497168034  4.029077053870  -0.172179116078  0.032892182226  0.268803295221  0.004904070996  -0.001841507356  0.000143108020
  24  Al  4.084035212161  4.025444096985  0.107757000554  -0.031435003681  0.020119678734  -0.354486613107  0.001194217212  -0.001437468624  0.007534515591
  25  Al  4.035353257205  6.131494997870  2.061034365076  0.078651660055  -0.099238073999  -0.150072953424  -0.000897602526  0.000640747105  -0.000740469521
  26  Al  5.998687713923  4.129362429469  1.977037444833  0.070650297657  -0.032095114736  0.209679441260  -0.005269512197  0.007009848035  -0.003770001507
  27  Al  6.026002905154  6.071453660989  0.070973771796  0.073586452651  -0.077255334698  -0.211088612739  -0.004171987253  -0.004521300664  0.005043996354
  28  Al  4.069337484501  4.103441896828  4.118022929919  0.025458331255  -0.111822189653  -0.252131477090  0.003081436558  0.003415614875  0.002625600206
  29  Al  4.011793809891  6.086114567541  6.183115967297  0.280965483513  -0.110048800022  -0.122404926685  -0.000576305813  -0.000469824098  0.006143385679
  30  Al  6.093497962286  4.035592282032  6.112929396972  -0.073479979898  0.039020612972  0.024272123599  0.000435816738  0.000416878557  0.004826071827
  31  Al  6.126562492725  6.028107438574  4.019497188265  -0.104291403836  0.155074128468  -0.080397164786  0.002003856875  -0.003549479208  -0.000986753523


MDSTEP:  33
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -79.086111349643  -0.197857696343  0.451974712983
  -0.197857696343  -78.876698827352  -1.171424393204
  0.451974712983  -1.171424393204  -76.796562681832
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.048201941560  8.035203020148  8.051085054065  0.201847055210  0.026393738812  -0.140230672426  -0.003760301652  -0.006687968204  -0.003934511065
  1  Al  8.094709516107  1.964463684705  1.980813136115  0.170429258930  0.083132593361  0.024475001940  -0.000224787723  -0.005497029106  -0.000079311480
  2  Al  1.959188222588  8.029526582232  1.947377984598  0.134427151773  0.100263046048  0.260763751095  -0.004127976464  -0.005072905715  -0.004778025721
  3  Al  1.993254894867  2.009636455022  8.078158527904  0.020483122691  0.050783465531  -0.148855798048  -0.002187943309  -0.001447178505  -0.001991777865
  4  Al  0.005547950165  8.023073370834  4.169384813892  0.114399351911  0.116713138351  -0.330529167739  0.002827723507  -0.006363896154  0.007462077680
  5  Al  8.074522019117  2.005607726905  6.117544704601  0.057879428025  -0.061452185752  -0.157836666856  -0.003517786898  -0.003662864813  0.002901784299
  6  Al  2.014831971042  0.018910813039  6.049503527671  -0.142530024736  0.153468829490  0.106917039481  0.001014225497  -0.000464724274  -0.002163052672
  7  Al  2.017887815026  2.015496755326  4.096224103413  -0.029687836768  -0.109760193353  0.000889557661  0.000692302019  -0.001339874619  0.001422306331
  8  Al  8.066042110412  4.109731423335  8.034231576650  0.009878192242  -0.175376299056  0.161161414054  -0.002560273850  0.003641098893  -0.002510548689
  9  Al  0.027133017478  6.084816227434  2.015071638085  -0.093124784490  -0.043720572951  0.121448474925  -0.001499744661  -0.000210953566  -0.000345740756
  10  Al  2.069932881943  3.995475856555  2.013160105809  -0.072590152210  0.244435478863  0.078824677446  0.003825950484  -0.002143640152  -0.000671932257
  11  Al  2.023934525487  6.072644766981  0.090883549516  -0.059742816329  0.012955226155  -0.012622426841  0.000026353751  0.000846143447  0.005201406949
  12  Al  8.063475993093  4.041390635506  4.036987928316  0.150125558271  0.013389847097  0.118552447508  -0.001911935090  0.001504861054  -0.001496152288
  13  Al  8.072524560210  6.048173268328  6.058186958863  -0.060053239135  0.087188412361  0.098404633510  -0.002635481089  -0.001938846532  0.000539869909
  14  Al  1.996942339065  4.034760043952  6.105268067200  -0.022449434295  -0.242326238357  -0.023440496040  -0.002572562372  -0.001336817340  0.002578432683
  15  Al  2.079652329879  6.088456533063  3.970457818152  -0.263785022953  0.044209087988  -0.001008762568  0.001977413831  0.002381032188  -0.003355585691
  16  Al  4.094643088653  0.068398465146  0.010380452878  -0.037109295024  -0.091162213416  0.179624196825  0.000691697935  0.004008346974  -0.000484920907
  17  Al  3.940973785260  1.976309861049  2.013087370532  0.232700511083  0.144682852670  0.043967402479  -0.006812117353  -0.003039521862  0.000678899401
  18  Al  6.126490642733  8.016696502639  1.978796426539  -0.183854364634  -0.046829808572  0.166362867811  0.002227268237  -0.006593287165  -0.001828039588
  19  Al  6.110090618509  2.107447286527  8.028233800454  -0.237517704122  -0.174203691377  -0.003020657018  -0.000588086081  0.003548792824  -0.004698728372
  20  Al  4.098762488178  0.068770780156  4.035515831245  -0.152262839740  -0.209333725031  -0.080155083895  0.003223060262  0.003548652525  -0.001295276904
  21  Al  4.067420681085  2.024810225523  6.070241578909  0.000373083009  0.141097050849  0.164575676520  0.001915897797  0.001491654813  -0.001629267777
  22  Al  6.071796326144  0.017679601492  6.067929156230  0.112662515717  0.124911346003  0.066686605654  0.002451732632  0.000044637536  0.001962292927
  23  Al  6.157028783351  2.010718143546  4.029293152434  -0.176125189695  0.032502606383  0.267722852665  0.004876593700  -0.001297829435  0.000476811545
  24  Al  4.084515880822  4.024821538741  0.111575700494  -0.032983766198  0.018263522968  -0.371118490112  0.001091136086  -0.001578581219  0.007907969386
  25  Al  4.035050638085  6.131698211710  2.060642918046  0.081970216144  -0.099495687494  -0.153454228416  -0.000287103649  0.000031680205  -0.000866278549
  26  Al  5.995899490994  4.132774467200  1.975156515197  0.078828496398  -0.047365443993  0.221094696725  -0.005723556982  0.007076278888  -0.004022135699
  27  Al  6.023864456597  6.069068309005  0.073376981126  0.077243176370  -0.073475370110  -0.225443909983  -0.004132304223  -0.004571254268  0.004722881709
  28  Al  4.071037966927  4.104974039094  4.119278683487  0.024116520681  -0.118284796684  -0.253515603663  0.003435395010  0.003226869930  0.002120653787
  29  Al  4.011501444610  6.085755456221  6.186195165140  0.283494228735  -0.111460549021  -0.124714763683  -0.000219344156  -0.001082991558  0.005981458661
  30  Al  6.093886272479  4.035652924174  6.115329161487  -0.081526562723  0.046570930383  0.022135223881  0.000778172496  0.000195005347  0.005106523062
  31  Al  6.127630103880  6.026181103539  4.019042296146  -0.105514834137  0.163285601854  -0.077659792893  0.002474225009  -0.003949621447  -0.000881267814


MDSTEP:  34
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -78.848036111167  -0.215315110057  0.551882385273
  -0.215315110057  -78.553331121650  -1.268903265340
  0.551882385273  -1.268903265340  -76.416050930985
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.046423657354  8.032006142941  8.049177498119  0.211951363258  0.022804253320  -0.140398656107  -0.003252231500  -0.006078148524  -0.003711565707
  1  Al  8.094609600897  1.961795919315  1.980779390218  0.172258213184  0.088292445640  0.024850054345  -0.000172425146  -0.005580256590  -0.000090770184
  2  Al  1.957090603755  8.027145682493  1.944921835745  0.137570416237  0.109838678019  0.267885542373  -0.004500498424  -0.004497530376  -0.004858564753
  3  Al  1.992016470218  2.009010352455  8.077146136127  0.027274359406  0.051573848018  -0.145965412370  -0.002831011329  -0.001075295691  -0.002013923469
  4  Al  0.006979772259  8.020021471348  4.173180730409  0.115380612598  0.119953579725  -0.341368627881  0.002789459237  -0.005706175851  0.007455316196
  5  Al  8.072592542221  2.003638182280  6.119134226694  0.066976974873  -0.062446152831  -0.166645087455  -0.003830321261  -0.003824676335  0.002889993099
  6  Al  2.015238604866  0.018521193851  6.048610318393  -0.142204732280  0.149648188895  0.111275386918  0.001132871218  -0.000984767826  -0.001464931868
  7  Al  2.018287369809  2.014828779144  4.096802238894  -0.030562384215  -0.111506236985  0.000197648978  0.001145516150  -0.001597309864  0.001467101571
  8  Al  8.064666639409  4.111526141797  8.032898990811  0.008698838709  -0.177933517538  0.172843586669  -0.002890654051  0.003682620729  -0.002622018535
  9  Al  0.026465410318  6.084588788250  2.014833879834  -0.094174739147  -0.046352875787  0.121747939159  -0.001534572201  -0.000342981186  -0.000206308715
  10  Al  2.071768153637  3.994570353292  2.012700146553  -0.078030001772  0.243185824372  0.081374219519  0.003850893454  -0.001771221557  -0.000742882836
  11  Al  2.024123363561  6.073033374645  0.093591724621  -0.061200923454  0.011485722840  -0.026273298502  0.000300634046  0.000421968550  0.005645167363
  12  Al  8.062527468823  4.042244052211  4.036321220432  0.154011702913  0.008116616170  0.119850865487  -0.001596931415  0.001380484879  -0.001199528960
  13  Al  8.071302910291  6.047353055814  6.058436683243  -0.059560457947  0.092274356514  0.100990578926  -0.002526705141  -0.001939115037  0.000416139727
  14  Al  1.995551732441  4.034057328839  6.106448165573  -0.013504812100  -0.241439447147  -0.027184043841  -0.002472643093  -0.001432927482  0.002240122443
  15  Al  2.080800040051  6.089621378696  3.968729397184  -0.267252195740  0.046935688840  0.008362209165  0.002115499758  0.002685032179  -0.003071969954
  16  Al  4.095127238889  0.070462397646  0.010110074428  -0.040209746440  -0.100154866931  0.181243869402  0.000929438177  0.004425064989  -0.000750197103
  17  Al  3.937727954525  1.974747512216  2.013580536512  0.240026409688  0.154066049274  0.041930485519  -0.006537947565  -0.002787756486  0.000871116285
  18  Al  6.127406468112  8.013442513174  1.977851989324  -0.185505006627  -0.041317116843  0.171755031362  0.001649917018  -0.006698216058  -0.002223452910
  19  Al  6.109699697458  2.109128685572  8.025920221106  -0.245198997357  -0.174091204430  0.010594135072  -0.000569086610  0.003286105546  -0.004476303544
  20  Al  4.100387309237  0.070572828889  4.034854783514  -0.157322925419  -0.215623348151  -0.075301979032  0.003333659100  0.003355780916  -0.001558838555
  21  Al  4.068459966980  2.025595970672  6.069579576413  -0.002534333984  0.143931475120  0.167651693841  0.001975060222  0.001668181498  -0.001519022997
  22  Al  6.073041207979  0.017553514507  6.068966550954  0.106428214460  0.118616587713  0.062792651930  0.002279801859  -0.000244147409  0.001907246339
  23  Al  6.159352185509  2.010199338598  4.029553865415  -0.182438244820  0.035001887068  0.266213011763  0.004889121170  -0.000751045212  0.000437077086
  24  Al  4.085126348247  4.023865515766  0.115664969940  -0.035770364265  0.019216216921  -0.388973472888  0.001031269604  -0.001699032083  0.008356774532
  25  Al  4.035066153556  6.131526678075  2.060168086526  0.084367607188  -0.100119511068  -0.156843694602  0.000124595552  -0.000665501331  -0.000714623976
  26  Al  5.992964156941  4.136438708357  1.973015309134  0.085467276408  -0.062487095736  0.234892327108  -0.005753039668  0.007313011921  -0.004041278489
  27  Al  6.021870600931  6.066882406721  0.075696653505  0.079495137365  -0.070701336160  -0.241284908794  -0.003735995469  -0.004057327291  0.004728460833
  28  Al  4.072772879511  4.106668766758  4.120143583706  0.023599553421  -0.123956752714  -0.254001998328  0.003192840581  0.003131990664  0.001985627210
  29  Al  4.011574465735  6.085031575983  6.189097425958  0.283984875428  -0.112968399908  -0.126352889156  -0.000078039617  -0.001821672990  0.005634688439
  30  Al  6.094276134782  4.035787287378  6.118035920033  -0.092259204267  0.057139184787  0.017408809120  0.001017993804  0.000388151878  0.005419854795
  31  Al  6.129036717734  6.024157817128  4.018615920451  -0.109762485303  0.169017258996  -0.073265977699  0.002430759806  -0.004360844354  -0.001103890499


MDSTEP:  35
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -78.607372498887  -0.230485180047  0.655268540393
  -0.230485180047  -78.231524771542  -1.360868324540
  0.655268540393  -1.360868324540  -76.016557470582
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.044949710060  8.029124871624  8.047373488358  0.218158315996  0.021511856984  -0.138925141766  -0.003116483790  -0.005916065618  -0.003482707544
  1  Al  8.094537090961  1.958883428115  1.980722365931  0.171545932820  0.093367838998  0.024062759725  -0.000122190164  -0.006062291764  -0.000085771135
  2  Al  1.954687724164  8.025029051857  1.942519419845  0.137068602704  0.119995290391  0.275151255129  -0.004495865846  -0.004284128320  -0.004901300767
  3  Al  1.990423883538  2.008561159331  8.076144604435  0.030024184917  0.052923485884  -0.141320198948  -0.003011433541  -0.001258129654  -0.002093589050
  4  Al  0.008337409402  8.017367194983  4.176840130089  0.114516203075  0.122892371722  -0.354745365238  0.002738994679  -0.005186972576  0.007561725815
  5  Al  8.070691697857  2.001783050570  6.120434697700  0.074349456347  -0.063540015654  -0.172819026259  -0.003922635201  -0.003761054312  0.002810277568
  6  Al  2.015964842261  0.017926045213  6.048038595803  -0.146426343727  0.146904326901  0.114775151749  0.001791786975  -0.001124236496  -0.001491495893
  7  Al  2.019033331176  2.013899445462  4.097691204984  -0.036327299211  -0.112144607827  -0.002883726874  0.001755680647  -0.001688780046  0.001406087113
  8  Al  8.063151456360  4.113414044063  8.031609558115  0.006730335201  -0.183770532091  0.186491993624  -0.003242045325  0.003789148739  -0.002423952341
  9  Al  0.025598445277  6.084473246248  2.014865329370  -0.096964549208  -0.048411693567  0.122256910740  -0.001557129609  -0.000171810275  0.000221629489
  10  Al  2.073783775397  3.993704634997  2.012417222973  -0.088524414069  0.240429530095  0.084886507198  0.004303502903  -0.001469287595  -0.000219189568
  11  Al  2.024235159533  6.073066735531  0.096528716879  -0.065148966307  0.010449425045  -0.039720948603  0.000264287845  -0.000066294730  0.005530138663
  12  Al  8.061879061678  4.042771120385  4.035788399356  0.156338644258  0.002354050605  0.118962691133  -0.001575542698  0.000816686582  -0.001070981338
  13  Al  8.069997855069  6.046234153291  6.058603098589  -0.060093116370  0.098829468896  0.103293032880  -0.002674329490  -0.001922657284  0.000322514802
  14  Al  1.994469695971  4.033327116470  6.107508189643  -0.008410742147  -0.241488209813  -0.030229347394  -0.001941425692  -0.001524912109  0.001800527080
  15  Al  2.081767829636  6.091141565242  3.967385848198  -0.272335720822  0.048484467729  0.015675989070  0.002052984714  0.003205086551  -0.002669757996
  16  Al  4.095572526830  0.072823530135  0.009630255775  -0.039634818521  -0.109166092148  0.184749745538  0.000899416722  0.004851756923  -0.001261226586
  17  Al  3.934435837695  1.973522104563  2.013958486817  0.250168425041  0.162086687324  0.039879297113  -0.006503756149  -0.002359126169  0.000975785132
  18  Al  6.128140559751  8.009998286581  1.976572973629  -0.183170282011  -0.032832717607  0.177814437338  0.001479344108  -0.006647051086  -0.002632976900
  19  Al  6.109521531899  2.110733392073  8.023757496910  -0.248448834187  -0.175035686898  0.026474390239  -0.000588920273  0.003192029136  -0.003970257052
  20  Al  4.102096147278  0.072126561072  4.033956992690  -0.159336789889  -0.221589093050  -0.071921416610  0.003694681848  0.003014374844  -0.001602221747
  21  Al  4.069395741307  2.026478407021  6.068722555913  -0.003209850002  0.147157038282  0.172035341836  0.002134099083  0.002131483081  -0.002005279483
  22  Al  6.074076128002  0.017435454083  6.069836402569  0.103517604153  0.112753137534  0.060600195554  0.002402398646  -0.000534153400  0.001561227446
  23  Al  6.161917904521  2.009967098334  4.029730229520  -0.186566684666  0.036456425820  0.261877062199  0.005029069556  -0.000467706296  0.000121921586
  24  Al  4.085547150426  4.023122506659  0.119932475026  -0.035531069955  0.018722071237  -0.407107813463  0.001128684648  -0.001645526109  0.008525667924
  25  Al  4.035175233638  6.131032710379  2.059928294070  0.088485944847  -0.099451792239  -0.159899204448  0.000585609545  -0.000636685127  -0.000618556243
  26  Al  5.990146451326  4.140087479121  1.971115236709  0.095792613286  -0.079406522951  0.247291722746  -0.005607920893  0.007253610310  -0.004095631340
  27  Al  6.020128461128  6.065010981715  0.078105441959  0.083204417248  -0.068106186277  -0.256327202481  -0.003419191086  -0.004077760741  0.004871306441
  28  Al  4.074230807507  4.108106029758  4.121264310696  0.024563239535  -0.129006584894  -0.256286505986  0.002791417022  0.002908344152  0.002145579647
  29  Al  4.011423404993  6.083933783231  6.191829853579  0.286846444046  -0.113996243795  -0.127356910358  -0.000118271611  -0.001974851370  0.005751084553
  30  Al  6.094904266283  4.036041076052  6.120749016282  -0.101321668249  0.065854648661  0.013330218646  0.001356433132  0.000666829775  0.005295066980
  31  Al  6.130060863686  6.021820259185  4.017938405647  -0.109859214134  0.176773856704  -0.070065894031  0.001962167180  -0.004580221940  -0.001469808731


MDSTEP:  36
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -78.348008056118  -0.245775385884  0.769766568289
  -0.245775385884  -77.893730289717  -1.458062705044
  0.769766568289  -1.458062705044  -75.614046806412
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.043307173564  8.026090077323  8.045694790575  0.227782890706  0.020803546487  -0.138985565892  -0.003257151278  -0.006020395701  -0.003405234257
  1  Al  8.094487410733  1.955733627551  1.980693619083  0.173542214661  0.097722721766  0.023674792807  0.000104971911  -0.005930030821  0.000256285649
  2  Al  1.952594737909  8.022861554173  1.940020534978  0.138048128446  0.131494886161  0.283293204219  -0.003844451660  -0.004050147292  -0.005177074211
  3  Al  1.989005036677  2.007752222801  8.075052547076  0.035284332905  0.054147841960  -0.137933382947  -0.002814756500  -0.001365278940  -0.002432326492
  4  Al  0.009718766938  8.014834498772  4.180742456225  0.116768348891  0.126952532605  -0.367966409489  0.003010243656  -0.005170685703  0.007857970428
  5  Al  8.068669907020  1.999877127968  6.121944504263  0.084385399636  -0.065502147797  -0.180368132070  -0.003729128358  -0.003527999648  0.003138474468
  6  Al  2.017030391840  0.017396957355  6.047118822500  -0.148118978614  0.144397370983  0.118556801185  0.002122243054  -0.001253772445  -0.001982325089
  7  Al  2.020043050456  2.013139999098  4.098208326007  -0.040251938044  -0.114723696011  -0.003445428414  0.002331411934  -0.001206272533  0.000713751922
  8  Al  8.061424594084  4.115315290535  8.030475038470  0.007528290798  -0.189305959344  0.198182756259  -0.003157557817  0.003824964963  -0.002026701463
  9  Al  0.024908280709  6.084416977975  2.015055509323  -0.098251378751  -0.049718152104  0.122371127224  -0.001581555446  0.000248310917  0.000286004966
  10  Al  2.076071656539  3.993101065697  2.012480956985  -0.097399154016  0.236667477552  0.087977634590  0.004601924450  -0.001196465911  0.000420671104
  11  Al  2.024387651406  6.072967079915  0.099121863284  -0.067216731943  0.010428867981  -0.054597500001  -0.000069385545  -0.000397965409  0.005398408437
  12  Al  8.060951926125  4.043060738793  4.035250239094  0.162101777475  -0.003459528448  0.119468650052  -0.001513584669  0.000311314696  -0.000938296069
  13  Al  8.068628580801  6.045430398530  6.058759198045  -0.056922969892  0.104410507382  0.105646623248  -0.003015024075  -0.001476876874  0.000309325892
  14  Al  1.993610306749  4.032532416729  6.108248692653  -0.001468186544  -0.241071975116  -0.033045398847  -0.001869813242  -0.001611223291  0.001690303467
  15  Al  2.082853024765  6.092826465247  3.966059639187  -0.274863180159  0.051166287069  0.025329171300  0.002473088825  0.003263614329  -0.002518975813
  16  Al  4.096026655611  0.075314154569  0.008848847842  -0.040561762030  -0.118025925900  0.187120120767  0.001015914185  0.005239304578  -0.001261771127
  17  Al  3.931224198376  1.972388386047  2.014556321644  0.258922253983  0.168458462580  0.037699748981  -0.006042382612  -0.001994240511  0.001412462663
  18  Al  6.128885812220  8.006795462088  1.975219012424  -0.183399016407  -0.024493656876  0.183445506552  0.001104894772  -0.006223169270  -0.002772556750
  19  Al  6.109110777184  2.112320714708  8.021949964054  -0.253041033417  -0.177038905986  0.039994188827  -0.000616127059  0.003468624901  -0.003695642411
  20  Al  4.104081991085  0.073587203733  4.033252561767  -0.164336854419  -0.227058162127  -0.067247503656  0.003685257885  0.002897425284  -0.001154194625
  21  Al  4.070594066064  2.027727453753  6.067574296930  -0.007043565213  0.148279447079  0.176122170796  0.002045748986  0.002515452228  -0.002588621633
  22  Al  6.075443606625  0.017019361108  6.070527778400  0.096145526312  0.107791876110  0.058659885090  0.003006901454  -0.000857255225  0.001169417120
  23  Al  6.164381255065  2.009731632302  4.029675787001  -0.192641196799  0.037215168315  0.259271283338  0.004911448516  -0.000416813346  0.000188817170
  24  Al  4.086255032895  4.022219989657  0.124190637864  -0.039047277272  0.018854027007  -0.427763727679  0.001048658302  -0.001533000511  0.008328879073
  25  Al  4.035651763102  6.130889992949  2.059549530284  0.090351236190  -0.098667736427  -0.162229015166  0.001191873841  -0.000065765812  -0.000596394031
  26  Al  5.987356236048  4.143692318667  1.968919677794  0.104242816609  -0.097016330424  0.262106260815  -0.005562173765  0.007135461133  -0.004252750858
  27  Al  6.018451409845  6.062804645980  0.080567959946  0.084399958943  -0.062864008788  -0.273053992894  -0.003444632274  -0.004472475489  0.004843395332
  28  Al  4.075564296533  4.109577110910  4.122289163353  0.023936842975  -0.134256255350  -0.256802805557  0.002387955435  0.002849822975  0.001764152180
  29  Al  4.011456194124  6.083056724613  6.194848510511  0.287001529566  -0.114768894118  -0.129844422462  0.000100889764  -0.001969719677  0.005696469510
  30  Al  6.095632567914  4.036454117153  6.123330987013  -0.113173507094  0.073978880470  0.009531252848  0.001719339978  0.000734956158  0.005223352456
  31  Al  6.130998884914  6.019577595188  4.017146111721  -0.112704817480  0.185201433309  -0.065167893824  0.002017975490  -0.004505858185  -0.001853902283


MDSTEP:  37
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -78.087882192550  -0.262914460547  0.876650849920
  -0.262914460547  -77.543026791265  -1.558718625090
  0.876650849920  -1.558718625090  -75.211540931411
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.041692558782  8.023104475923  8.043968254101  0.234968214173  0.020610197116  -0.136807687423  -0.002977636727  -0.006094377478  -0.003385933043
  1  Al  8.094642062872  1.952953397294  1.980978651581  0.173061855744  0.102467324803  0.021907216047  -0.000046378048  -0.005279384841  0.000307332081
  2  Al  1.950843272505  8.020978904564  1.937342345634  0.136355552606  0.144055284586  0.292093109745  -0.003196471183  -0.003473635256  -0.004931618996
  3  Al  1.987609127037  2.007195880391  8.073712277944  0.038035225687  0.056197306436  -0.131233539915  -0.002976711359  -0.000979018673  -0.002452323350
  4  Al  0.011347653058  8.012196509280  4.184698100517  0.116429336480  0.132051549717  -0.382276484833  0.003593872817  -0.005506062823  0.007662221758
  5  Al  8.066962569498  1.998255050921  6.123573172168  0.092408897278  -0.066555182659  -0.187441986347  -0.003326763544  -0.003244614695  0.003345092609
  6  Al  2.018087085315  0.016672272768  6.046056270714  -0.151313773272  0.142226789323  0.122411604423  0.001746881701  -0.001335583229  -0.002420743168
  7  Al  2.021364743110  2.012693172928  4.098404956906  -0.046206292600  -0.116649673102  -0.004825677972  0.002403663158  -0.001168189860  0.000231925857
  8  Al  8.059993898544  4.117239009027  8.029582856652  0.006393397437  -0.194806648520  0.209997118082  -0.002995553587  0.003449961025  -0.001636832562
  9  Al  0.024016889831  6.084721557164  2.015151334337  -0.100514013191  -0.053163294224  0.122253597444  -0.001475132966  0.000774308779  -0.000110440056
  10  Al  2.078385699847  3.992508169086  2.012837894077  -0.108970799005  0.232201004650  0.090666813788  0.004259130453  -0.001144099178  0.000623859089
  11  Al  2.024165773988  6.072668770121  0.101927125316  -0.071016964567  0.008855621085  -0.071130058339  -0.000349470520  -0.000575062561  0.005353290885
  12  Al  8.060365477009  4.043082435081  4.034850103287  0.165916450324  -0.008500465278  0.118488962789  -0.000943244426  -0.000035430374  -0.001120923159
  13  Al  8.066982830994  6.044757276417  6.058912424481  -0.054204255172  0.107444177724  0.109288792770  -0.003071449726  -0.001237621945  0.000474907115
  14  Al  1.992599882729  4.031715893179  6.109198493109  0.003443765600  -0.239140115006  -0.036529918438  -0.001947836486  -0.001584377629  0.002151167456
  15  Al  2.084240918461  6.094405179571  3.964866872385  -0.280085083760  0.052383078420  0.034602818485  0.002996516529  0.002898401366  -0.002489296735
  16  Al  4.096588441015  0.078062834713  0.008368484648  -0.038872677960  -0.126092788006  0.188834080377  0.001122542723  0.005240649938  -0.000591618089
  17  Al  3.928393455083  1.971527864053  2.015370949480  0.268819095514  0.174820797026  0.035369393650  -0.005545907408  -0.001764752097  0.001330733867
  18  Al  6.129245454523  8.003775117311  1.973800416879  -0.180646304610  -0.014163573002  0.188492924789  0.000976223000  -0.005856352354  -0.003088131551
  19  Al  6.108905404840  2.114202016974  8.020061854500  -0.256184421350  -0.179539772377  0.056331790225  -0.000407456713  0.003818478335  -0.003488947412
  20  Al  4.105781405162  0.075023986356  4.032802798065  -0.166369075260  -0.231450968160  -0.064076073658  0.003451419652  0.002965552778  -0.000994780240
  21  Al  4.071441490293  2.028993859249  6.066133934280  -0.008285208023  0.150014306028  0.180911625444  0.002047924343  0.002386636247  -0.002554005007
  22  Al  6.077083029456  0.016578198858  6.071005819690  0.089693008488  0.102631825548  0.057549989877  0.003037555984  -0.001179086199  0.000802361166
  23  Al  6.166829353037  2.009550284988  4.029919046690  -0.196934072252  0.038080394883  0.253255776432  0.004658332706  -0.000087003945  0.000817310541
  24  Al  4.086595808727  4.021589506148  0.128261354100  -0.039884312551  0.018256330131  -0.446762335444  0.001011401125  -0.001292340960  0.008060867968
  25  Al  4.036367107479  6.130966944568  2.059331900039  0.093522083066  -0.099403007417  -0.164672380864  0.001660666086  -0.000007799413  -0.000323262862
  26  Al  5.984584277561  4.147222940255  1.966862485851  0.115221529199  -0.115761674063  0.275928380981  -0.005768294140  0.007243989507  -0.003790169019
  27  Al  6.016683828855  6.060538506226  0.082948837291  0.089107905271  -0.058381650631  -0.289281886785  -0.003796877599  -0.004595579493  0.004550734115
  28  Al  4.076618762942  4.110955852733  4.123028462876  0.025305869847  -0.139369828978  -0.257728278694  0.001892138518  0.002554795852  0.001814598259
  29  Al  4.011524294757  6.081964063554  6.197526323088  0.288268899456  -0.115718018582  -0.131931347236  0.000043184958  -0.001964661299  0.005401839768
  30  Al  6.096623606261  4.036776032210  6.125972368738  -0.123143287247  0.083635330619  0.005709161130  0.001734022457  0.000580242957  0.005096311065
  31  Al  6.132078839176  6.017314400999  4.016084503365  -0.114320545350  0.192765341912  -0.059395500529  0.002190114932  -0.004564460654  -0.002052998192


MDSTEP:  38
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -77.828902977341  -0.288202482555  0.990977564422
  -0.288202482555  -77.190279560175  -1.660336236231
  0.990977564422  -1.660336236231  -74.810431529954
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.040329536837  8.019995699845  8.042308857532  0.241545461166  0.019856257869  -0.135258939793  -0.002715833434  -0.006123157326  -0.003187344231
  1  Al  8.094441032685  1.950454242710  1.981000951164  0.173275235658  0.105291091075  0.020436703208  -0.000191275897  -0.004725766061  0.000071239866
  2  Al  1.949398266726  8.019387918917  1.935088915982  0.136198232549  0.154686612601  0.298741414923  -0.002731902283  -0.002949654280  -0.004099508777
  3  Al  1.986028325318  2.006773204127  8.072600223727  0.043188243823  0.056159811722  -0.125892311354  -0.003382751516  -0.000777140039  -0.002390563363
  4  Al  0.013312639755  8.009328435949  4.188404677983  0.113639266932  0.136769936806  -0.396085825975  0.004176591795  -0.005526288012  0.007030376963
  5  Al  8.065343143476  1.996632513273  6.125289596871  0.099958971587  -0.068368280421  -0.194753363389  -0.003051020552  -0.002980985650  0.003379613012
  6  Al  2.018777273542  0.016061374126  6.044698079332  -0.150137006562  0.138773717974  0.128380328248  0.000989020017  -0.001530200820  -0.002514042719
  7  Al  2.022446713614  2.011971809238  4.098440251864  -0.049308823544  -0.118770661369  -0.005172017520  0.002516496820  -0.001518773708  0.000094751756
  8  Al  8.058429040497  4.118765251560  8.028838205908  0.005780266143  -0.197790903237  0.221124548136  -0.003033362939  0.003092146567  -0.001132571210
  9  Al  0.023433147744  6.085191286754  2.014945069267  -0.104409740539  -0.056260996711  0.122844218376  -0.000878958875  0.000681181431  -0.000520290387
  10  Al  2.080330786992  3.991956966520  2.013104816074  -0.117049739757  0.229415375426  0.093181582569  0.003844810467  -0.000977564875  0.000852615168
  11  Al  2.024038180885  6.072392017354  0.104475154169  -0.071980376219  0.008347282845  -0.086946755639  -0.000521230240  -0.000630272787  0.005241669906
  12  Al  8.060008681698  4.043025308420  4.034129315935  0.169157526646  -0.011912648694  0.118573720583  -0.000558365234  -0.000435928042  -0.001414705849
  13  Al  8.065557131075  6.044192776585  6.059234105160  -0.052220254508  0.110431397729  0.113143816572  -0.002719550633  -0.001303097099  0.000345902007
  14  Al  1.991662470263  4.030948039100  6.110399860109  0.009906890400  -0.236400572042  -0.039841582056  -0.001536242092  -0.001855052755  0.002624134957
  15  Al  2.085849541294  6.095724866613  3.963570342452  -0.283327054655  0.054504852592  0.044178000246  0.002821467667  0.002860244957  -0.002457575478
  16  Al  4.097149198334  0.080554804507  0.008257229753  -0.037980267373  -0.135296182329  0.189147314846  0.001111870959  0.005177470319  -0.000040453618
  17  Al  3.925678290968  1.970623633949  2.015887055511  0.278207889485  0.179506893675  0.033406007525  -0.005574047855  -0.001557423793  0.000749046335
  18  Al  6.129862035220  8.000939109734  1.972130880873  -0.180701214459  -0.005946256688  0.193907580085  0.001412458518  -0.005710435697  -0.003141043128
  19  Al  6.108703320472  2.116139193042  8.018461016642  -0.260662779413  -0.183765214302  0.071592765637  -0.000266701249  0.003691941730  -0.002891436254
  20  Al  4.107533410737  0.076552756511  4.032257781527  -0.168662640272  -0.237331764771  -0.060645987873  0.003136974225  0.003231359537  -0.001075738393
  21  Al  4.072641990407  2.030114090000  6.065020291923  -0.011906224824  0.150022075724  0.185428416562  0.002738985471  0.002564493482  -0.001893202740
  22  Al  6.078481162609  0.015840274908  6.071330139566  0.082905143873  0.096874632472  0.057382153657  0.002947233578  -0.001373834019  0.001008097031
  23  Al  6.169039587771  2.009644628358  4.030493097542  -0.201441847941  0.036600680163  0.247036281632  0.004174572706  0.000026866985  0.000960018518
  24  Al  4.087266434020  4.020927648697  0.132251505832  -0.043694770833  0.019867414152  -0.466521715545  0.001192878050  -0.001523528720  0.007760761776
  25  Al  4.037312429187  6.130882193536  2.059226267421  0.095372582538  -0.098165076813  -0.167816241016  0.001616549700  -0.000367618326  -0.000506333152
  26  Al  5.981587941908  4.150936308174  1.965129508775  0.126785820621  -0.133651369485  0.289494215238  -0.005733587348  0.007559208414  -0.003100936413
  27  Al  6.014654532245  6.058209066486  0.085118694061  0.093326695684  -0.051439184443  -0.305083163567  -0.004020520059  -0.004281988793  0.004466111300
  28  Al  4.077456435051  4.112131906762  4.124103761612  0.026361187311  -0.141991920067  -0.259013870774  0.001770153059  0.002515082769  0.001853427171
  29  Al  4.011499379081  6.081092063314  6.200250350279  0.288966544407  -0.116301475320  -0.133645735242  -0.000131304752  -0.001771881984  0.005371377624
  30  Al  6.097366590371  4.037034360110  6.128427298078  -0.133685736450  0.094414626972  0.002565523890  0.001274478578  0.000534253507  0.004685991134
  31  Al  6.133188999846  6.015013134534  4.015093113529  -0.117407481474  0.201869846895  -0.053887082192  0.002393264599  -0.004571061384  -0.002227791602


MDSTEP:  39
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -77.576214988135  -0.317314453878  1.105475324919
  -0.317314453878  -76.844532816376  -1.759272386877
  1.105475324919  -1.759272386877  -74.417609834982
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.038976725348  8.016981318597  8.040780909870  0.249232607485  0.021371372401  -0.133029294849  -0.002541287430  -0.006221142468  -0.002844259639
  1  Al  8.094450786975  1.948227631233  1.981049891447  0.173515540362  0.108461987907  0.019866550376  0.000148636797  -0.004479097265  -0.000229115422
  2  Al  1.948111370221  8.018029250284  1.933242836857  0.134521735771  0.166420431640  0.307380117196  -0.002267228669  -0.002512086390  -0.003810325887
  3  Al  1.984226375521  2.006418740352  8.071321714580  0.048512451069  0.056934541725  -0.119759649173  -0.003810190530  -0.000424290248  -0.002536852327
  4  Al  0.015524244853  8.006670221268  4.191728477480  0.113037568625  0.142395894377  -0.409059705403  0.004273813794  -0.005155711503  0.006405050071
  5  Al  8.063911548946  1.995274065272  6.126952785179  0.107538241934  -0.069331029017  -0.202637293447  -0.003027220882  -0.002951050365  0.003104699561
  6  Al  2.019076105332  0.015142071948  6.043542227995  -0.147302468938  0.136945770655  0.130755405728  0.000941298638  -0.001585497113  -0.002660338213
  7  Al  2.023881239930  2.011174399221  4.098499708662  -0.053299163842  -0.120172666207  -0.005077848459  0.002574089738  -0.001845857051  0.000092160517
  8  Al  8.056960535604  4.120331155594  8.028450285442  0.004256980306  -0.203896508187  0.230504944323  -0.002862902367  0.003029927844  -0.000392935746
  9  Al  0.023137930957  6.085402738595  2.014631043949  -0.107188485104  -0.058884107988  0.125694306067  -0.000365186615  0.000169689818  -0.000637225707
  10  Al  2.082230510315  3.991530604210  2.013690509245  -0.125314061267  0.224952239417  0.097321638347  0.004123398602  -0.000573276183  0.001298626393
  11  Al  2.023644543748  6.072038497335  0.107168795222  -0.071545197879  0.007592538589  -0.103769787533  -0.000599716059  -0.000706421406  0.005045245223
  12  Al  8.059807111774  4.042646507039  4.033435397439  0.174164417065  -0.016021741721  0.118543384942  -0.000151435506  -0.000849556361  -0.001126954145
  13  Al  8.064263280362  6.043454179318  6.059258326488  -0.048373458581  0.112751155314  0.115116569812  -0.002881460168  -0.001410302208  0.000205457333
  14  Al  1.991063640637  4.029860840424  6.111822628067  0.016632904107  -0.233193353689  -0.046212672614  -0.001102086207  -0.001899948854  0.002723164855
  15  Al  2.087062386128  6.097265424528  3.962409296906  -0.284452487973  0.054990588817  0.054820468663  0.002675871042  0.002794705416  -0.002278749249
  16  Al  4.097700311974  0.083240305032  0.008328031030  -0.038064053772  -0.142261638629  0.187184222404  0.000821740194  0.005042915938  0.000043747344
  17  Al  3.922819407228  1.969970440260  2.016119995815  0.287061255259  0.185304310143  0.033163707130  -0.005934588938  -0.001475270938  0.000476750095
  18  Al  6.130657913041  7.998064681614  1.970659373751  -0.179305632253  0.005712191800  0.199197821871  0.001643372323  -0.005480157887  -0.002595866759
  19  Al  6.108638703591  2.117893958704  8.017170418246  -0.264614464323  -0.184978790678  0.086037801245  -0.000090602851  0.003574384292  -0.002864193143
  20  Al  4.108918379388  0.078255345893  4.031727059673  -0.173144144420  -0.242664555066  -0.055653372784  0.002406314255  0.003447165432  -0.000737248494
  21  Al  4.074180475764  2.031558352731  6.064240731539  -0.017055592781  0.150264649973  0.188559505144  0.003222546380  0.002785857741  -0.001586583224
  22  Al  6.080030263034  0.015204364839  6.072013916721  0.075221968559  0.092516717443  0.054725595491  0.003318479560  -0.001497113462  0.001591567716
  23  Al  6.171003925744  2.009577151972  4.030879065208  -0.204662918006  0.037305896456  0.241611396186  0.003990743568  -0.000300855760  0.000692677596
  24  Al  4.087788686778  4.020065977428  0.136022115876  -0.045920280980  0.020129734578  -0.485994098591  0.000909767843  -0.001422358161  0.007275109175
  25  Al  4.037983657178  6.130599326241  2.058825566887  0.094909706983  -0.098542473575  -0.167162433679  0.001487189832  -0.000365790965  -0.000900833333
  26  Al  5.978850690213  4.154782148669  1.963761549439  0.137538550948  -0.154438645754  0.301119028896  -0.005637426453  0.007946150583  -0.002699943168
  27  Al  6.012663308796  6.056256517433  0.087414948591  0.096995132725  -0.048563552640  -0.322401811300  -0.003897952953  -0.004226636001  0.004716501722
  28  Al  4.078388916001  4.113470935502  4.124881890047  0.024476195242  -0.145394612467  -0.257769779700  0.001551586563  0.002762935612  0.001568269080
  29  Al  4.011392990005  6.080192181570  6.202897700713  0.287571066993  -0.118058569709  -0.137834443100  -0.000550003202  -0.002000794522  0.005025297410
  30  Al  6.097898084839  4.037310285717  6.130658359872  -0.144528217863  0.103242436232  0.000466758126  0.000749544809  0.000396935036  0.004662336816
  31  Al  6.134472103775  6.012743339615  4.013856711763  -0.120415695451  0.209109787861  -0.045707031313  0.002198883470  -0.004869482244  -0.002716085393


MDSTEP:  40
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -77.327656590906  -0.350423215714  1.209592688939
  -0.350423215714  -76.490353282374  -1.857748533338
  1.209592688939  -1.857748533338  -74.014230077662
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.037788249406  8.013774557376  8.039464597893  0.256261373266  0.020896097919  -0.129848023652  -0.002365617782  -0.006149443252  -0.002750169033
  1  Al  8.094589669482  1.945975145444  1.980771835742  0.173025258197  0.111051850435  0.017438969412  0.000121959854  -0.004514750740  -0.000468401398
  2  Al  1.947131038057  8.016875832527  1.931278590095  0.131177491444  0.175589860106  0.312379242125  -0.001833633271  -0.002074862434  -0.003879369247
  3  Al  1.982218134788  2.006348913879  8.070063371400  0.054029804376  0.056883827970  -0.112985313171  -0.003698642385  -0.000158549917  -0.002679107006
  4  Al  0.017586453550  8.004172724447  4.194809728054  0.110668003811  0.145549880695  -0.421926752269  0.003945737149  -0.004811895481  0.005863416951
  5  Al  8.062315922594  1.993681462908  6.128394296432  0.115548498246  -0.070126496144  -0.207779917878  -0.002965159022  -0.003346909583  0.002655141611
  6  Al  2.019718572180  0.014475877013  6.042037741119  -0.146115378198  0.132162270216  0.138227779205  0.001268648405  -0.001419129835  -0.002692812059
  7  Al  2.025020803352  2.010125952187  4.098532412381  -0.057413826951  -0.120481407924  -0.005495581990  0.001936255193  -0.002194012085  -0.000218510215
  8  Al  8.055566138130  4.121795179403  8.028445270162  0.004782587256  -0.208341810197  0.239267106506  -0.002958991153  0.002875124948  -0.000060692959
  9  Al  0.023067961129  6.085360976572  2.014307843559  -0.110926985859  -0.059280757129  0.125780900627  -0.000483625546  -0.000079408006  -0.000702928358
  10  Al  2.084454185594  3.991383690337  2.014403442467  -0.136106066818  0.221394385323  0.097628269475  0.004199300699  0.000085354901  0.001214221011
  11  Al  2.023438464826  6.071685595948  0.109520399392  -0.072827754315  0.007920031609  -0.119176556350  -0.000376969828  -0.000885912548  0.004785945200
  12  Al  8.059857246192  4.042175752058  4.033002361790  0.178085090836  -0.018656672874  0.117211456659  -0.000133686607  -0.000644933401  -0.000901996999
  13  Al  8.062675670907  6.042782474377  6.059439562493  -0.043497331194  0.115905673872  0.119356894603  -0.003038667718  -0.001112250772  0.000668297958
  14  Al  1.990560384057  4.029048090246  6.113123024964  0.021818274239  -0.230102041706  -0.049080589618  -0.000667486425  -0.001964198607  0.002653097907
  15  Al  2.088525412336  6.098519572029  3.961291593203  -0.287766443769  0.056926220721  0.064516809543  0.002614804755  0.002746778535  -0.001947745208
  16  Al  4.097970938529  0.085597720445  0.008300977097  -0.036910627630  -0.150972724731  0.185840201326  0.000441848543  0.004554514474  -0.000244106243
  17  Al  3.919743702030  1.969148363011  2.016363805606  0.297425822338  0.189762674386  0.029632528386  -0.006271086023  -0.001696174510  0.000556499351
  18  Al  6.131505407543  7.995458951847  1.969535014113  -0.177548689315  0.014094579811  0.201300790478  0.001582902863  -0.005073532187  -0.002542850794
  19  Al  6.108612717620  2.119713577334  8.015596823499  -0.268476428383  -0.188801341376  0.103363978804  0.000136828164  0.003752686753  -0.003064202890
  20  Al  4.109939724992  0.079999921942  4.031520533033  -0.174605610220  -0.249619540079  -0.052717961180  0.001786022503  0.003756652767  -0.000372153135
  21  Al  4.075864536786  2.032899947741  6.063433708699  -0.023023024217  0.150190177827  0.193914553546  0.003277516734  0.002657718000  -0.001357055461
  22  Al  6.081799642169  0.014343161446  6.072921707282  0.066505796109  0.086163776626  0.053916763577  0.003199827615  -0.001608566337  0.001964061235
  23  Al  6.173030331339  2.009343772597  4.031185775138  -0.207558921276  0.036910380656  0.234966198336  0.004008457578  -0.000611419208  0.000625793469
  24  Al  4.088176201863  4.019505290536  0.139526615006  -0.049088081100  0.020449096959  -0.504814459693  0.000685817355  -0.001304572336  0.006969386499
  25  Al  4.038799619020  6.130516402570  2.058325434088  0.094553514673  -0.097400355602  -0.169628069059  0.001993346880  -0.000262867295  -0.001096312950
  26  Al  5.975950515455  4.158882458757  1.962429565608  0.149508403088  -0.176106153998  0.312230730209  -0.005498517797  0.008333716303  -0.002459480844
  27  Al  6.010756579292  6.053982430485  0.089835195782  0.100926154433  -0.039760533345  -0.340093346746  -0.004105171031  -0.004888550107  0.004499552980
  28  Al  4.079008021615  4.114894842373  4.125672030692  0.024543295484  -0.148427738212  -0.257120403877  0.001355464195  0.002745387527  0.001746051853
  29  Al  4.010949375880  6.079091268792  6.205275647689  0.288138531720  -0.117391632843  -0.137615376492  -0.000686770946  -0.002436070299  0.004692611324
  30  Al  6.098116135180  4.037431295146  6.133089634895  -0.153936899105  0.114352967452  -0.000862048821  0.000276046933  0.000157810233  0.004745838847
  31  Al  6.135387883316  6.010143652290  4.012377028137  -0.121195831167  0.219265453576  -0.037828772021  0.002083386071  -0.004946320491  -0.002693373452


MDSTEP:  41
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -77.090415569506  -0.387874582810  1.314029369506
  -0.387874582810  -76.139367996747  -1.960702941351
  1.314029369506  -1.960702941351  -73.607317846737
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.036611107565  8.010831875345  8.038030740837  0.263445785669  0.022824015600  -0.125399247135  -0.002187939801  -0.005601240939  -0.002884865054
  1  Al  8.094572746829  1.943712880493  1.980581490049  0.172232875895  0.116692723482  0.018165718565  -0.000106903261  -0.004616736268  -0.000175353677
  2  Al  1.946277736950  8.015954387850  1.929363467610  0.125704902770  0.185044350299  0.321201700011  -0.001408637878  -0.001650959386  -0.004143585027
  3  Al  1.980527733136  2.006260190436  8.068642607575  0.056558875188  0.059502198869  -0.106319195283  -0.003412469466  -0.000016320886  -0.002914789845
  4  Al  0.019469982002  8.001858325787  4.197591894431  0.109365285096  0.151456342847  -0.434470224263  0.003990871420  -0.004550113079  0.005237164605
  5  Al  8.060946389924  1.991927155689  6.129607926791  0.121870422511  -0.067815709312  -0.215488899293  -0.002690731661  -0.003402552745  0.002148175359
  6  Al  2.020344753736  0.013722942113  6.040849415936  -0.145169646583  0.130123088219  0.139597888899  0.001342914805  -0.001643259549  -0.002302506302
  7  Al  2.025817495123  2.008980387136  4.098281198447  -0.062449153900  -0.118899411727  -0.005041100448  0.001513900456  -0.002648977371  -0.000312961508
  8  Al  8.054001544451  4.123206280541  8.028389592483  0.004128748879  -0.216544432066  0.248911189887  -0.002833922840  0.002658330729  -0.000366745990
  9  Al  0.022654305410  6.085323330589  2.013928115591  -0.114177879355  -0.061404370790  0.128615897883  -0.001018837383  -0.000311370202  -0.000442522091
  10  Al  2.086429811014  3.991615959112  2.014904730256  -0.146137882092  0.214926336359  0.102011240761  0.003615170535  0.000753867706  0.001188593505
  11  Al  2.023267573920  6.071152584787  0.111954740422  -0.073391689555  0.007084583951  -0.133959319740  -0.000297789234  -0.001248628122  0.004516629423
  12  Al  8.059673425167  4.042001573639  4.032533400439  0.182051673242  -0.025979435649  0.115665257778  -0.000471256641  -0.000631696645  -0.000700070194
  13  Al  8.061224612644  6.042341928546  6.059926624446  -0.039098174540  0.116622280171  0.118888876735  -0.003001652688  -0.000830262628  0.000985240507
  14  Al  1.990396154212  4.027896641817  6.114475725974  0.025771069083  -0.228483487357  -0.055251495028  -0.000140646670  -0.002415321559  0.002361911196
  15  Al  2.089677190883  6.100012203063  3.960461551698  -0.289350148595  0.057214754612  0.072825098791  0.002561916433  0.003268064189  -0.001503331980
  16  Al  4.098142160517  0.087794819505  0.008083924787  -0.035429566990  -0.158020628643  0.184498921305  0.000013241522  0.004388122069  -0.000057668755
  17  Al  3.916548321205  1.968274265750  2.016676495167  0.308765603079  0.198133648283  0.029350335639  -0.006233363239  -0.001385268759  0.000996357174
  18  Al  6.132240815904  7.992991149427  1.968116522957  -0.174955847270  0.023874261333  0.207910456432  0.001360684606  -0.004665454390  -0.002935514100
  19  Al  6.108775531755  2.121646645457  8.014106215356  -0.271652571638  -0.188633084920  0.119846271325  0.000306760763  0.003515441727  -0.002945481792
  20  Al  4.110704401890  0.082011998661  4.031354906538  -0.175263960037  -0.255892870236  -0.048993982840  0.001442339956  0.003735779601  -0.000423807100
  21  Al  4.077457992498  2.034216070731  6.062883676078  -0.027763149543  0.152748634319  0.194695413486  0.002914324162  0.002808591948  -0.000983175728
  22  Al  6.083230090648  0.013595798502  6.073977977956  0.058769261451  0.082014264689  0.048392475414  0.002654325521  -0.001798179930  0.002289912580
  23  Al  6.175012383322  2.008965732764  4.031504858677  -0.209240353676  0.039798098016  0.228360008282  0.003578495953  -0.000805169254  0.000502613602
  24  Al  4.088474504133  4.018761405091  0.142991502374  -0.049590691307  0.019951658821  -0.522149677294  0.000619848404  -0.001723492649  0.006964538447
  25  Al  4.039977004058  6.130336458946  2.057729253937  0.093245893276  -0.098664201364  -0.167537127648  0.002429351409  -0.000688490953  -0.001165053511
  26  Al  5.973352172416  4.163115864971  1.961302068595  0.161090099101  -0.200726627485  0.324477736635  -0.005308725313  0.008133011236  -0.002520749598
  27  Al  6.008558137764  6.051367967326  0.091914501571  0.105700829446  -0.034047162408  -0.355342465942  -0.004532484971  -0.005009123438  0.003764101150
  28  Al  4.079744380196  4.116216323029  4.126627941901  0.024769711924  -0.153098077097  -0.257162140779  0.001299629937  0.002353241406  0.002153044445
  29  Al  4.010706219060  6.077756111271  6.207590312036  0.288070515444  -0.118373619873  -0.141228257539  -0.000384987380  -0.002550934871  0.004925210598
  30  Al  6.098174131773  4.037468095950  6.135404198718  -0.163150676375  0.121842895421  -0.004067584636  -0.000188299873  -0.000235344394  0.004319513017
  31  Al  6.136555489846  6.007797019124  4.011163338311  -0.124720160597  0.226728983634  -0.031003769959  0.002305812391  -0.004850788775  -0.002155885066


MDSTEP:  42
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -76.862402254119  -0.430699886621  1.427461580375
  -0.430699886621  -75.819618993601  -2.063508621738
  1.427461580375  -2.063508621738  -73.204484277619
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.035600309605  8.008173316437  8.036579732839  0.271338383477  0.021926864958  -0.120115956947  -0.002272204813  -0.005314967872  -0.002581991307
  1  Al  8.094482766221  1.941358409177  1.980596482065  0.172843225098  0.117716054902  0.016968415191  0.000107407181  -0.004675968462  -0.000081207115
  2  Al  1.945722400179  8.015224873140  1.927135005068  0.120777771130  0.192695785753  0.326491682998  -0.001348467233  -0.001777324595  -0.004390571631
  3  Al  1.978805665322  2.006332592993  8.067148581555  0.062377000680  0.056570211897  -0.098095070804  -0.003187007430  0.000256723479  -0.002916200161
  4  Al  0.021577324969  7.999622611367  4.200046892659  0.106925364253  0.155706722508  -0.446285557474  0.004101442129  -0.004107607402  0.005010090976
  5  Al  8.059625190933  1.990278910163  6.130542471791  0.128912837508  -0.069877284198  -0.221305996084  -0.002653046148  -0.003498130437  0.001828820928
  6  Al  2.021061486985  0.012832617464  6.039735234816  -0.142777961407  0.126282945020  0.145837410911  0.001408583213  -0.001767886167  -0.002105756761
  7  Al  2.026534703809  2.007476974816  4.098219450873  -0.066245677149  -0.119872065572  -0.005929233028  0.001317759340  -0.003309178493  -0.000280753896
  8  Al  8.052732215290  4.124453510133  8.028078524172  0.004169611054  -0.221195763796  0.259312910681  -0.002669884823  0.002238796281  -0.000700277189
  9  Al  0.022049123745  6.085049606370  2.013865321469  -0.115418652572  -0.058610214235  0.127768174548  -0.001272644589  -0.000407558306  -0.000046846567
  10  Al  2.088069356128  3.992137558043  2.015592035972  -0.154361088994  0.209306793679  0.103182419222  0.003080626502  0.001286495197  0.001044875097
  11  Al  2.023140675593  6.070436967826  0.114037028814  -0.072747107457  0.011264163581  -0.146915710937  -0.000483430001  -0.001294635941  0.004169820931
  12  Al  8.059385989551  4.041544055413  4.032302291596  0.186693907136  -0.030507510068  0.113177684530  -0.000519880383  -0.000666515143  -0.000381021418
  13  Al  8.059674018218  6.041952211749  6.060424803000  -0.032975275160  0.120857232794  0.120201166977  -0.003410707151  -0.000656110516  0.000806090275
  14  Al  1.990419737386  4.026632768687  6.115484936161  0.030492044660  -0.224826139262  -0.058623001354  0.000165644627  -0.002900698066  0.001762217520
  15  Al  2.091087328769  6.101787636218  3.959788261223  -0.291820566812  0.059743457613  0.080078060571  0.002688232924  0.003509960063  -0.001413050708
  16  Al  4.097984180051  0.089985842513  0.008243308342  -0.034645782452  -0.166092220353  0.182957462730  -0.000048087209  0.004684225794  0.000618121411
  17  Al  3.913510338791  1.967763094252  2.017360162781  0.318101648460  0.200772568798  0.024575695827  -0.006021712988  -0.001136290628  0.001712999146
  18  Al  6.132866092149  7.990793497457  1.966599500013  -0.173728755650  0.031435783569  0.211163189967  0.001439239481  -0.004279434732  -0.003245493314
  19  Al  6.108919478383  2.123229019061  8.012651341706  -0.277402298848  -0.193397857487  0.137286904310  -0.000004691610  0.002792318288  -0.002613644930
  20  Al  4.111382064949  0.083735701544  4.031096725933  -0.176571728173  -0.262474691599  -0.045666289120  0.001505492796  0.003271502803  -0.000391163385
  21  Al  4.078778860948  2.035708539689  6.062450532971  -0.033684653889  0.149945748283  0.198692279745  0.002838540989  0.002996201768  -0.000961441655
  22  Al  6.084453967689  0.012544981516  6.075211619862  0.050219649971  0.076406688223  0.045090259658  0.002319847082  -0.002408468581  0.002216018910
  23  Al  6.176608827292  2.008538603343  4.031688388740  -0.210802932731  0.039159458592  0.221485951031  0.003479070392  -0.001120353307  0.000623070524
  24  Al  4.088796050267  4.017781797887  0.146491153453  -0.053599364165  0.021064339374  -0.539672437748  0.000387663464  -0.001733030467  0.007160996265
  25  Al  4.041228970429  6.129827911617  2.057160380577  0.090814950981  -0.095193639717  -0.169334023786  0.002383623547  -0.001270250793  -0.001303135495
  26  Al  5.970641790142  4.167015469993  1.959908816009  0.172975204899  -0.222182167282  0.336914515393  -0.005202083598  0.007387627754  -0.002931836541
  27  Al  6.006224094321  6.048973307047  0.093599296932  0.109485559400  -0.023508750875  -0.368883287242  -0.004546636558  -0.004752381801  0.003365755961
  28  Al  4.080307651552  4.117248083779  4.127825075137  0.024702546699  -0.156030108512  -0.257804860304  0.001189360722  0.001892436537  0.002123937840
  29  Al  4.010564388500  6.076540333922  6.210200858287  0.286171506903  -0.115860028304  -0.141644715060  -0.000063529269  -0.002470535763  0.004980081991
  30  Al  6.097927835308  4.037195950752  6.137409147911  -0.172245395877  0.131168995737  -0.005170816657  -0.000415501455  -0.000770278044  0.004024326804
  31  Al  6.137693695707  6.005292863515  4.010221143071  -0.127973970973  0.237604625979  -0.025737227744  0.002097931383  -0.004617056164  -0.002201928916


MDSTEP:  43
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -76.615140462151  -0.470846925143  1.538820576834
  -0.470846925143  -75.508572339581  -2.158900816468
  1.538820576834  -2.158900816468  -72.801801346541
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.034338902752  8.005516907473  8.035448749530  0.278127474044  0.021695869374  -0.118656780431  -0.002385859385  -0.005431883433  -0.002537714420
  1  Al  8.094680154010  1.939036912031  1.980500282933  0.171350578374  0.121458058449  0.018376605041  0.000637019832  -0.004807880899  -0.000367726634
  2  Al  1.944929269718  8.014177063255  1.924972895978  0.115484427194  0.201854154993  0.334289046139  -0.001473444043  -0.002141094323  -0.004608523548
  3  Al  1.977340725706  2.006516913915  8.065726407413  0.066036909150  0.057333490304  -0.092604546723  -0.002942211062  0.000554400795  -0.003051565170
  4  Al  0.023571424131  7.997750718385  4.202601985406  0.103779066374  0.158459470000  -0.456835877378  0.004161094235  -0.003724694191  0.004850293781
  5  Al  8.058293343776  1.988429025252  6.131436747719  0.134762640178  -0.067803005569  -0.227569999374  -0.002271769667  -0.003985187041  0.001953241510
  6  Al  2.021753336949  0.011955055946  6.038743659175  -0.141490014414  0.121681467644  0.149556541637  0.001404298735  -0.001594698204  -0.002285089822
  7  Al  2.027135254463  2.005671208643  4.098000444551  -0.071351763191  -0.116952700235  -0.004222696633  0.001365956860  -0.003642412348  -0.000429822489
  8  Al  8.051331659628  4.125445076823  8.027689315293  0.004632362974  -0.225363193093  0.266319389757  -0.002439310720  0.001632232178  -0.000612391649
  9  Al  0.021381660821  6.084915772283  2.013881269024  -0.117814767828  -0.059854925218  0.129047179846  -0.001328845855  -0.000375793372  0.000154186259
  10  Al  2.089510437516  3.992902454309  2.015949605352  -0.163254151122  0.203211118608  0.107794062970  0.002910818754  0.001908056978  0.001056927663
  11  Al  2.022784143919  6.069857948845  0.116124561353  -0.072469660476  0.010024924828  -0.164107434412  -0.000562381800  -0.000927088731  0.003903903533
  12  Al  8.059153544785  4.041335058495  4.032152379022  0.190882354872  -0.036139764921  0.112980522270  -0.000097455417  -0.000472693742  -0.000225455870
  13  Al  8.057813905493  6.041685818030  6.060732714721  -0.026748958995  0.121177700874  0.120509106370  -0.004064165573  -0.000233351012  0.000496380940
  14  Al  1.990561798840  4.024995943750  6.116237943494  0.033380712021  -0.219375474991  -0.062641980138  0.000084759919  -0.003179778389  0.001724337490
  15  Al  2.092365423806  6.103522163126  3.959048500990  -0.294333017281  0.058958188162  0.090139624719  0.002495052567  0.003548269927  -0.001158082754
  16  Al  4.098094073308  0.092479045299  0.008702046198  -0.032972794391  -0.175465323367  0.177851701163  0.000015290274  0.004704860866  0.001003157646
  17  Al  3.910526608218  1.967137975122  2.018389494313  0.327814398434  0.207426078224  0.021500491934  -0.006061608401  -0.000916746502  0.001713796025
  18  Al  6.133680055385  7.988711714695  1.964871029642  -0.172154314297  0.039318263905  0.217671310563  0.001829866210  -0.003855538105  -0.003705147284
  19  Al  6.108770840145  2.124438963744  8.011492570426  -0.280357417721  -0.194142360719  0.150576902664  -0.000329441922  0.002311683043  -0.002309173662
  20  Al  4.112209894686  0.085283501463  4.030963743153  -0.176508329994  -0.269210048820  -0.040448813428  0.001361544106  0.003407348738  -0.000289568800
  21  Al  4.080296533487  2.037212272499  6.061922234422  -0.038842127046  0.150198784166  0.200881794412  0.002709983249  0.003138361827  -0.001202792754
  22  Al  6.085549937730  0.011187329921  6.076193996866  0.043224912102  0.071213995903  0.041074613844  0.002014900056  -0.002587192576  0.002107989117
  23  Al  6.178491453714  2.007845379458  4.032127929201  -0.211439624347  0.041155978899  0.215722917748  0.003992732378  -0.001255435334  0.000956913946
  24  Al  4.088862167597  4.017028374625  0.150152498639  -0.056263179949  0.021350944821  -0.560697967556  -0.000107768041  -0.001205546058  0.007023625949
  25  Al  4.042360627605  6.129066208153  2.056426118443  0.089078125129  -0.094081654572  -0.168103431765  0.002629485883  -0.001626769822  -0.001224861213
  26  Al  5.968150088819  4.170503492725  1.958370232054  0.185826585899  -0.243579197362  0.351035595262  -0.004638749771  0.006988753946  -0.003392360361
  27  Al  6.004011501207  6.046615585525  0.095280257532  0.114031467197  -0.015877312704  -0.385672835557  -0.004387756544  -0.004404828490  0.003629752102
  28  Al  4.080933740918  4.118108759566  4.128751879741  0.024412887347  -0.158092541176  -0.255812960182  0.001289097079  0.001840154881  0.002051902441
  29  Al  4.010642689790  6.075285575508  6.212570394027  0.283938176778  -0.116572753566  -0.143189246871  0.000309632451  -0.002746818591  0.004481872018
  30  Al  6.097758630317  4.036697817906  6.139428525522  -0.180634194465  0.141065494484  -0.007817071944  -0.000613500940  -0.001115775218  0.003776070423
  31  Al  6.138653421229  6.003179962961  4.008961409395  -0.130128762547  0.244926272674  -0.016945763947  0.001988652132  -0.004254207345  -0.002245288090


MDSTEP:  44
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -76.378066355725  -0.514554244873  1.660309042173
  -0.514554244873  -75.196466675564  -2.254031885370
  1.660309042173  -2.254031885370  -72.390161475138
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.033214450220  8.002741433004  8.034042018418  0.284921489720  0.023075624454  -0.113058823301  -0.001918811156  -0.005390124149  -0.002810620982
  1  Al  8.095119786053  1.936550528278  1.980228755431  0.170302017126  0.124142235512  0.017905624265  0.000960473910  -0.004912973171  -0.000791839964
  2  Al  1.944248956136  8.013083778817  1.922526481520  0.109252445726  0.212013149616  0.341299514666  -0.001583115891  -0.001994778398  -0.005171479525
  3  Al  1.975863454260  2.006886993788  8.064097016385  0.070336416687  0.056238627224  -0.083488856721  -0.003012482909  0.000900531855  -0.003313764597
  4  Al  0.025738419204  7.995897917176  4.204897186441  0.099976125746  0.162434951034  -0.470301625253  0.004121222818  -0.003582767698  0.004158574163
  5  Al  8.057353421267  1.986293723122  6.132495713301  0.139471885699  -0.066902115136  -0.232067119181  -0.002047589722  -0.004532720855  0.002380603542
  6  Al  2.022465785719  0.011237919261  6.037450144994  -0.140031567576  0.117504955542  0.157337085047  0.001162377924  -0.001280705841  -0.002496858483
  7  Al  2.027900660669  2.003834562468  4.097789628383  -0.076957905739  -0.113878610423  -0.006591922195  0.001876215911  -0.003773169410  -0.000223989223
  8  Al  8.050292904569  4.126085742311  8.027466132523  0.004776066958  -0.229841370977  0.275717406517  -0.002299844312  0.001258062545  -0.000732845695
  9  Al  0.020720277890  6.084673812998  2.014019507728  -0.118935827996  -0.058613322076  0.128506672383  -0.001429342541  -0.000765004503  0.000274174206
  10  Al  2.090980174883  3.994045615022  2.016648963635  -0.172092633042  0.195685334921  0.110163293124  0.002697548360  0.001935112838  0.001147786207
  11  Al  2.022578293792  6.069509879095  0.117940932347  -0.072772878408  0.009748552174  -0.177714655994  -0.000256727154  -0.000606293955  0.003741120868
  12  Al  8.059288534134  4.041071361671  4.032076835726  0.195496994600  -0.041856074178  0.108737841238  0.000564808730  -0.000309681025  -0.000208659288
  13  Al  8.055609852646  6.041718860737  6.060921183940  -0.018779547717  0.122146748523  0.123602806133  -0.004070284920  -0.000155891555  0.000104716573
  14  Al  1.990504497306  4.023452990298  6.117209273651  0.037991324471  -0.215317760719  -0.066157829099  -0.000229370314  -0.003149944993  0.002107813690
  15  Al  2.093582381336  6.105335906145  3.958630178469  -0.296352625437  0.058303838473  0.095246835934  0.002282067023  0.003737113123  -0.000548271118
  16  Al  4.097999470325  0.094690703380  0.009246465988  -0.031066381852  -0.182759067384  0.174279534499  -0.000382596508  0.004636920012  0.001138159676
  17  Al  3.907448730390  1.966846347750  2.019073958806  0.336942168491  0.212155161758  0.016942271588  -0.005850861659  -0.000321758623  0.001667103115
  18  Al  6.134695958359  7.986937959352  1.962894352729  -0.169769376091  0.047678955687  0.222499011791  0.002074203576  -0.003891429239  -0.003978888957
  19  Al  6.108590036461  2.125540702104  8.010342168045  -0.283227836133  -0.196770748607  0.166604777756  -0.000258363521  0.002078775047  -0.002245481905
  20  Al  4.112743609055  0.087143050282  4.030807157133  -0.175637455018  -0.275062572344  -0.038850826278  0.000788353512  0.003740357760  -0.000271042863
  21  Al  4.081488844197  2.038846901516  6.061247740216  -0.044008507206  0.149203551407  0.206088959017  0.002229325646  0.003117733708  -0.001566672552
  22  Al  6.086468867745  0.009957788941  6.077319608979  0.036637228178  0.066894489289  0.038451928350  0.001462554709  -0.002683003498  0.002591753125
  23  Al  6.180601559671  2.007283168010  4.032645302686  -0.212249395450  0.041650698810  0.207014736417  0.004115078510  -0.001412198558  0.000791478098
  24  Al  4.088688282227  4.016576251829  0.153514779402  -0.059154638787  0.019524108992  -0.578099184694  -0.000325381668  -0.000941453724  0.006694819768
  25  Al  4.043858456312  6.128201141795  2.055935519363  0.085125674578  -0.091507671139  -0.168785099439  0.002822625865  -0.001513939150  -0.001185649715
  26  Al  5.966003040371  4.174004223940  1.956516455648  0.197718626094  -0.266236713211  0.365116045806  -0.004517321420  0.006594434935  -0.003970966432
  27  Al  6.001836337777  6.044568478556  0.097229049034  0.118828883693  -0.006197599375  -0.400983696515  -0.004168755916  -0.003806139733  0.004139651441
  28  Al  4.081596748630  4.119088238660  4.129876977579  0.023017588023  -0.161058583738  -0.257112482153  0.001401760168  0.001898272814  0.002519827635
  29  Al  4.010874020951  6.073793515330  6.214682730305  0.280798195268  -0.115316636721  -0.142117390842  0.000128192905  -0.003261628040  0.004026236307
  30  Al  6.097314334368  4.036080175535  6.141185218334  -0.188185091547  0.149522457887  -0.007357545217  -0.000856924150  -0.001383513224  0.003767382426
  31  Al  6.139682347839  6.001038656169  4.007975854981  -0.132371463059  0.253395404727  -0.012827287650  0.001751431818  -0.004173374417  -0.002211078445


MDSTEP:  45
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -76.153538656113  -0.565812063574  1.788592782308
  -0.565812063574  -74.893206496281  -2.351468509793
  1.788592782308  -2.351468509793  -71.938197893110
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.032420091595  8.000126783324  8.032638128548  0.290259361173  0.022387173329  -0.110940044695  -0.001709593020  -0.005132986924  -0.002922151304
  1  Al  8.095640627920  1.934123938861  1.979708442970  0.167769492179  0.126817417097  0.019692934987  0.000872669724  -0.005186851587  -0.001076891909
  2  Al  1.943346153827  8.012182284856  1.919801416453  0.104830755012  0.219964707837  0.351144012132  -0.001850227795  -0.001745262552  -0.005105809733
  3  Al  1.974328242798  2.007417445770  8.062412642817  0.075982952054  0.054708463002  -0.077783019823  -0.002683355105  0.001296255826  -0.003229838970
  4  Al  0.027692646949  7.994167950686  4.206760559569  0.096226013947  0.165235393153  -0.480153079940  0.003695787175  -0.003082083642  0.003818369728
  5  Al  8.056245754054  1.983896304397  6.133817351260  0.144889135712  -0.065885623414  -0.239009676571  -0.002335242663  -0.004654162725  0.002657648807
  6  Al  2.022915714873  0.010674350105  6.036246800692  -0.136923568621  0.111905093368  0.163175784087  0.000664201082  -0.001280973830  -0.002739986040
  7  Al  2.029011470374  2.001898039232  4.097776455327  -0.082547497387  -0.110599721395  -0.006191658343  0.001915699995  -0.004017920306  -0.000296422475
  8  Al  8.049031815316  4.126703139368  8.026956469599  0.005678206894  -0.232938590713  0.283053183331  -0.002588716135  0.001469875646  -0.001053967963
  9  Al  0.019952318281  6.084150767779  2.014155443231  -0.119714323830  -0.056953989564  0.129436353678  -0.001718759831  -0.000695786633  -0.000090170774
  10  Al  2.092207985876  3.994837567147  2.017097391559  -0.178819774948  0.191004604123  0.115281026735  0.002371244450  0.001416073891  0.000970971388
  11  Al  2.022527416766  6.069251654890  0.119865682221  -0.072784546494  0.008619885558  -0.194804528153  0.000090025436  -0.000496502957  0.003884237786
  12  Al  8.059718353515  4.041025377470  4.031943719734  0.198534122171  -0.047271467046  0.107449231897  0.000655253159  0.000230218185  -0.000527231450
  13  Al  8.053743620574  6.041529926475  6.060837431295  -0.011959139762  0.123073417053  0.125162107959  -0.004019412625  -0.000046484018  0.000180733787
  14  Al  1.990332428526  4.021845998757  6.118345757183  0.043677938704  -0.209548896671  -0.072045706467  -0.000141652405  -0.003472265946  0.002564768117
  15  Al  2.094647490829  6.107259276248  3.958500229872  -0.295494681756  0.057128840302  0.102500018107  0.002070809935  0.003805439801  -0.000189620070
  16  Al  4.097711476800  0.097115965311  0.009840205874  -0.029711643026  -0.192489403228  0.167944108600  -0.000921530873  0.004935354958  0.001459278396
  17  Al  3.904675746559  1.966816216498  2.020056597428  0.345820447870  0.216891074346  0.013721949082  -0.005820624784  0.000170672389  0.001692664824
  18  Al  6.135754258961  7.984820285456  1.960892140686  -0.168506206246  0.056021848915  0.229742369545  0.001860379416  -0.004449958391  -0.003593412711
  19  Al  6.108512476624  2.126517738791  8.009247088521  -0.287206698890  -0.198843967466  0.180152065801  -0.000103254916  0.001878296192  -0.001814870512
  20  Al  4.112998248199  0.089023859224  4.030692700290  -0.174172968780  -0.283109428760  -0.034654847676  0.000568055425  0.003985539815  -0.000432004648
  21  Al  4.082525859133  2.040330006207  6.060355561870  -0.048986217287  0.148780965604  0.210030094506  0.001832085459  0.003058113476  -0.001568820008
  22  Al  6.087012492439  0.008504326422  6.078785749991  0.030192389266  0.061718946473  0.032878783767  0.001301101486  -0.002638891594  0.003061967920
  23  Al  6.182606532224  2.006433180900  4.032919407299  -0.213859169787  0.043337848471  0.201172519174  0.004287812357  -0.001371777275  0.000650970140
  24  Al  4.088536785929  4.016086920901  0.156847318408  -0.062722077183  0.018891391263  -0.598835629091  -0.000026220136  -0.000831780454  0.006782498343
  25  Al  4.045183253471  6.127552269004  2.055240468727  0.081574032441  -0.089497303702  -0.165558578172  0.002861727357  -0.001553682752  -0.001593227545
  26  Al  5.963632767399  4.177097927660  1.954399265622  0.209697766608  -0.286698094987  0.382553036590  -0.004792576998  0.005903030513  -0.003875608842
  27  Al  5.999842745290  6.042809445791  0.099419908973  0.122029863233  0.002050049120  -0.420131437919  -0.004160481514  -0.003689021100  0.004464511673
  28  Al  4.082335501086  4.120007032380  4.131271707377  0.020978130537  -0.161567529852  -0.256170485786  0.001376221377  0.001767035037  0.003026458209
  29  Al  4.010770882695  6.072023947468  6.216596630335  0.278233367941  -0.113482183186  -0.143325256774  -0.000278075428  -0.003874123662  0.003649081770
  30  Al  6.096901706167  4.035314304681  6.143195907949  -0.197300346495  0.159741558358  -0.009927251928  -0.000960623691  -0.001403062965  0.003749275354
  31  Al  6.140404853047  5.999006588543  4.006750330950  -0.135665115251  0.260607522612  -0.005558378640  0.001475047702  -0.003768588953  -0.002224581822


MDSTEP:  46
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -75.933738771373  -0.621115782692  1.925510223561
  -0.621115782692  -74.576367521002  -2.449635352890
  1.925510223561  -2.449635352890  -71.468255513649
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.031504857201  7.997608446081  8.031119867114  0.296805369943  0.022493305324  -0.106053080326  -0.001929936371  -0.004913346739  -0.002940515396
  1  Al  8.095992455777  1.931363676691  1.979151863522  0.166080208835  0.129803164256  0.020381857126  0.000348855565  -0.005440531263  -0.001072025526
  2  Al  1.942398728341  8.011338516265  1.917420671788  0.099571099003  0.227894737766  0.359147715783  -0.001782703996  -0.001709458096  -0.004903912846
  3  Al  1.973180099155  2.008183249614  8.060867177415  0.079428273700  0.052044408418  -0.070899062728  -0.002352035862  0.001323575332  -0.003162194711
  4  Al  0.029434206379  7.992815833534  4.208715556169  0.092572246203  0.167271601849  -0.492673104922  0.003576755529  -0.002602883659  0.003910592263
  5  Al  8.055018178603  1.981639560397  6.135153362108  0.150723179685  -0.064991390367  -0.243997754869  -0.002395608064  -0.004255613903  0.002884696018
  6  Al  2.023129986801  0.009956945431  6.034710158954  -0.133345601739  0.107122843704  0.171576460181  0.000218149343  -0.001645096372  -0.003214034212
  7  Al  2.029816360663  1.999816642162  4.097493205908  -0.087827140076  -0.107054284411  -0.006575672892  0.001299013393  -0.004103909507  -0.000705865384
  8  Al  8.047704188434  4.127555617957  8.026412164560  0.007577070287  -0.236952819179  0.291972202543  -0.002710549649  0.001973418332  -0.000719553673
  9  Al  0.019001518060  6.083978026365  2.013929336955  -0.119110764643  -0.055680541609  0.130046690416  -0.001850716711  -0.000373556337  -0.000221269837
  10  Al  2.093351419332  3.995461688913  2.017619935024  -0.187212443659  0.186387132780  0.118349953969  0.002153044804  0.001471071132  0.000991247780
  11  Al  2.022668319228  6.069013376138  0.121825170133  -0.074524039854  0.007768957500  -0.210454014606  0.000630771491  -0.000254820381  0.004234541714
  12  Al  8.059943787293  4.041301579856  4.031549604276  0.203425948982  -0.053521636178  0.105645289009  0.000485199614  0.000484905710  -0.000843985343
  13  Al  8.051590440021  6.041672376719  6.061101917727  -0.002925710610  0.123215633074  0.126940331247  -0.004092645928  0.000532591464  0.000635892306
  14  Al  1.990362844901  4.019980724352  6.119774041768  0.048160355972  -0.202692667439  -0.077303719202  -0.000195484397  -0.003761523362  0.002634083695
  15  Al  2.095653191272  6.109141345947  3.958440558400  -0.295788620283  0.057042666189  0.107912121734  0.002151158934  0.003380320922  -0.000441657031
  16  Al  4.097077939451  0.099626058338  0.010705744384  -0.027155862908  -0.202053130992  0.162295254771  -0.001211444214  0.004782976751  0.001549718048
  17  Al  3.901628105605  1.967017020139  2.020766623630  0.356114903240  0.219938271653  0.010255562990  -0.005780319048  0.000302733174  0.001646680730
  18  Al  6.136556337775  7.982488000961  1.959300940018  -0.166735219491  0.066282908426  0.234563654389  0.001319886510  -0.004448715258  -0.002986921581
  19  Al  6.108486781545  2.127418998296  8.008527297533  -0.291375467772  -0.200477501623  0.194230004659  -0.000373398211  0.001641830082  -0.001653628416
  20  Al  4.113311664480  0.091128590097  4.030375152485  -0.172389673424  -0.290547958784  -0.031602745623  0.000901509386  0.004295417930  -0.000288564650
  21  Al  4.083320929656  2.041905014992  6.059678920208  -0.053786523655  0.147523715688  0.214693443258  0.001439027075  0.003265089076  -0.001134866101
  22  Al  6.087769969231  0.007318897347  6.080381576899  0.022251556074  0.056916152543  0.027897720402  0.001352605331  -0.002590265430  0.002938311533
  23  Al  6.184889372028  2.005911390734  4.033296272826  -0.216548350395  0.043520036267  0.193293981470  0.004669972165  -0.000705993498  0.001137847953
  24  Al  4.088662062091  4.015744471375  0.160297277745  -0.068170035400  0.016965703473  -0.619066493587  0.000115518188  -0.000984181223  0.006776790302
  25  Al  4.046720183669  6.126647459042  2.054342291819  0.076369757559  -0.086011635858  -0.162639192663  0.003108722918  -0.001563843071  -0.001832910729
  26  Al  5.961210463373  4.179907254453  1.952640846806  0.222689023767  -0.307127208045  0.399032584347  -0.004717247242  0.005486861145  -0.003316240866
  27  Al  5.997675856263  6.040879457456  0.101693560707  0.126541560066  0.012079651091  -0.437387277109  -0.004032396400  -0.004035572240  0.004143892625
  28  Al  4.082972970008  4.120855273697  4.132903435788  0.019000948912  -0.162780474768  -0.256698089606  0.001399090439  0.001588511254  0.003441607113
  29  Al  4.010595945523  6.069919391669  6.218331812075  0.274800388278  -0.110241117762  -0.142552690039  -0.000408514653  -0.004206691097  0.003151546790
  30  Al  6.096353710677  4.034677112570  6.144934493688  -0.205746655684  0.168066860961  -0.009575659143  -0.001060086462  -0.001340917502  0.003675570245
  31  Al  6.141157395540  5.997270067216  4.005751273158  -0.139469780911  0.267794616053  -0.000756270980  0.001507706800  -0.003285638665  -0.002026302029


MDSTEP:  47
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -75.710272361216  -0.678954735747  2.058907507845
  -0.678954735747  -74.279689356538  -2.539073336142
  2.058907507845  -2.539073336142  -70.997363490610
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.030490155224  7.995213436584  8.029697613152  0.302095824543  0.022864610889  -0.100589001506  -0.002149559857  -0.004402306272  -0.002741354040
  1  Al  8.095989483486  1.928683407598  1.978636417444  0.164324408816  0.132219426333  0.024320908845  -0.000016029326  -0.005186099581  -0.000969544398
  2  Al  1.941563449831  8.010472826760  1.914897503608  0.093577684338  0.238390416211  0.368424792278  -0.001680421372  -0.002065664787  -0.004865988954
  3  Al  1.971976206936  2.008741021102  8.059250448106  0.085028065500  0.050706858643  -0.062321490375  -0.002075628487  0.001166031411  -0.003228649054
  4  Al  0.031269402478  7.991565067027  4.210671151833  0.085519705728  0.171249521948  -0.506147263222  0.003568819189  -0.002711336417  0.004136740892
  5  Al  8.053850145991  1.979640690493  6.136702047279  0.154721929586  -0.064481955060  -0.252239246247  -0.002626463143  -0.004325119535  0.002781329666
  6  Al  2.023133864216  0.009029253733  6.033032766481  -0.128838990012  0.103930589452  0.179321640472  -0.000288901372  -0.001677207156  -0.003312536948
  7  Al  2.030310483767  1.997794129725  4.097070589944  -0.093182884923  -0.102518387063  -0.007341099130  0.001279674553  -0.004331696630  -0.001213371966
  8  Al  8.046321265666  4.128676557701  8.026236915926  0.009017195398  -0.242149445111  0.299498756312  -0.003107614058  0.002332491635  -0.000409226797
  9  Al  0.018101601570  6.083777211442  2.013934173394  -0.120617701491  -0.053717017581  0.131354472142  -0.001568996975  -0.000630721868  -0.000292174526
  10  Al  2.094361030680  3.996308638278  2.018088639340  -0.192813287230  0.179710137110  0.121940970537  0.001814016599  0.001690270386  0.000619416359
  11  Al  2.023158188256  6.068996834509  0.124100223935  -0.074937234045  0.004024889830  -0.227182467210  0.001260574523  0.000303795398  0.004691039221
  12  Al  8.060203553129  4.041510283180  4.031099734391  0.205802388342  -0.060190000241  0.103898447695  0.000509402940  0.000347325999  -0.000693831950
  13  Al  8.049650974646  6.042062517939  6.061473323601  0.002742682120  0.121990745435  0.126591979091  -0.004135424924  0.000664806646  0.000621685413
  14  Al  1.990136944130  4.018084475395  6.120979840878  0.054692211878  -0.196677643827  -0.082141807151  -0.000354190169  -0.003632081802  0.002398229828
  15  Al  2.096798649763  6.110639597171  3.958058572841  -0.296409876202  0.056697298882  0.114029036477  0.002261398037  0.003202097996  -0.000713144743
  16  Al  4.096500032585  0.101898942062  0.011389923922  -0.024265954301  -0.210729851224  0.158074023187  -0.001049390196  0.004806992737  0.001199686216
  17  Al  3.898895427511  1.967118949672  2.021703278158  0.365857269317  0.224822971721  0.006833467957  -0.005665448532  0.000458048891  0.001763242014
  18  Al  6.137074145471  7.980371570198  1.957905219104  -0.163927787940  0.076013250363  0.240724246718  0.000756329056  -0.003953812286  -0.003106189094
  19  Al  6.108139078413  2.128159568873  8.007593460105  -0.295769199934  -0.201350204701  0.209003879519  -0.000692697833  0.001567061088  -0.002043791468
  20  Al  4.113899757585  0.093319277154  4.030404135640  -0.168406512265  -0.296667804235  -0.029755133426  0.001239763954  0.004638782121  0.000212034975
  21  Al  4.083964886208  2.043595095284  6.059220695769  -0.057181565563  0.147530948069  0.217423539944  0.001409052153  0.003602337023  -0.000771440301
  22  Al  6.088365097770  0.005914060992  6.081724061523  0.015312070258  0.053268290160  0.021732706005  0.001129974213  -0.002963286951  0.002359480266
  23  Al  6.187276504389  2.005727187402  4.034057255252  -0.219416279844  0.043270989775  0.184357825477  0.004494814774  -0.000438871835  0.001466732371
  24  Al  4.088652304117  4.015102739678  0.163624108710  -0.072802713702  0.016427676026  -0.637938129820  -0.000018236178  -0.001633673307  0.006285911582
  25  Al  4.048291976388  6.125988425933  2.053407557998  0.073605810248  -0.085600311105  -0.160153305481  0.002775788359  -0.001296406702  -0.001563996185
  26  Al  5.958915520157  4.182584788805  1.951083024756  0.233769455507  -0.327639820302  0.417134933711  -0.004495502058  0.005052155039  -0.002821922559
  27  Al  5.995810348890  6.038773873551  0.103563801598  0.127941165108  0.022252019651  -0.452849589770  -0.003453965296  -0.004322713536  0.003784873635
  28  Al  4.083734591525  4.121595543634  4.134713314490  0.019045640128  -0.165247519397  -0.258187755987  0.001290591432  0.001436703226  0.003560861735
  29  Al  4.010362368042  6.067817256371  6.219748177125  0.273595759704  -0.108873435722  -0.140676027293  -0.000644939850  -0.004561353611  0.002527218059
  30  Al  6.095841619705  4.033973387180  6.146871478193  -0.215243181591  0.176802142814  -0.012181231409  -0.001074640155  -0.001296081433  0.003508191709
  31  Al  6.141912559847  5.995720949878  4.004724028921  -0.142836097477  0.273670612257  0.005037921659  0.001238306398  -0.003209444009  -0.001790812853


MDSTEP:  48
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -75.507633864096  -0.746018224042  2.181745135973
  -0.746018224042  -73.967418048008  -2.634320436625
  2.181745135973  -2.634320436625  -70.506049435519
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.029355297343  7.993206139809  8.028378513074  0.308816409019  0.021880858775  -0.094382413832  -0.001989088345  -0.003827048203  -0.002925302011
  1  Al  8.095976426451  1.926177577110  1.978182319124  0.162890755261  0.134221359625  0.023714418787  0.000288625842  -0.004672666923  -0.000897183165
  2  Al  1.940718306969  8.009272851478  1.912554682834  0.085072896599  0.249370093081  0.375071441514  -0.001810669103  -0.002428413326  -0.004610042460
  3  Al  1.971104470668  2.009349281025  8.057638528361  0.085206536795  0.047488250832  -0.054675800485  -0.001768645688  0.001165650358  -0.003543629889
  4  Al  0.033003025568  7.990104497117  4.212852297061  0.080350653709  0.173634744105  -0.521531873968  0.003353643855  -0.003261890658  0.004088368428
  5  Al  8.052391715460  1.977314440862  6.137934691773  0.159785528205  -0.062459299266  -0.254335203907  -0.003122972846  -0.004386360240  0.002462531452
  6  Al  2.022841085429  0.008279738274  6.031397622006  -0.124498580635  0.098584281251  0.190073080099  -0.000352778807  -0.001833383285  -0.003598682931
  7  Al  2.031096035216  1.995484945532  4.096279833942  -0.101476298666  -0.098088475339  -0.008160734737  0.001405058281  -0.004786903221  -0.001932059815
  8  Al  8.044596574376  4.129888109591  8.026002937763  0.012261166931  -0.248131120276  0.307219703441  -0.003486545603  0.002541994522  -0.000334967848
  9  Al  0.017432521085  6.083347304497  2.013637162429  -0.121596906643  -0.050649258768  0.131716615951  -0.001370782204  -0.000586171778  -0.000254876260
  10  Al  2.095165435931  3.997151959299  2.018239351383  -0.202807712169  0.175178527733  0.125058224262  0.001434763840  0.001837028415  0.000428630343
  11  Al  2.023928893751  6.069317171536  0.126516209354  -0.080229730764  0.001282658495  -0.244987020448  0.001459187747  0.000708407951  0.004832995861
  12  Al  8.060453190233  4.041648905855  4.030855772325  0.209405767867  -0.064600868674  0.100649549964  0.000824890471  0.000576849362  -0.000119772817
  13  Al  8.047455015097  6.042337183365  6.061723603140  0.011263345507  0.120664915643  0.129458426805  -0.004413304071  0.000450245970  0.000444927989
  14  Al  1.990008654732  4.016348642550  6.122172271596  0.056144265017  -0.190317992427  -0.084918530216  -0.000253266592  -0.003309513448  0.002302147504
  15  Al  2.097914589309  6.112343443943  3.957727413657  -0.299659254944  0.056606503618  0.119052116510  0.002357837599  0.003694926237  -0.000835484404
  16  Al  4.096028549256  0.104433051075  0.011905430600  -0.022172542062  -0.220097326192  0.153105485011  -0.001116403694  0.005191008860  0.000874147298
  17  Al  3.895962657074  1.967475069030  2.022529865644  0.375673407037  0.226244605287  0.001903277922  -0.005968152544  0.000375211722  0.001669206276
  18  Al  6.137312666830  7.978534188675  1.956194750924  -0.158873651653  0.084209056602  0.244664258699  0.000309587377  -0.003685675806  -0.003577026014
  19  Al  6.107794083712  2.128986059384  8.006483506065  -0.296232740001  -0.203860681527  0.223585523301  -0.000388322736  0.001933618126  -0.002482399425
  20  Al  4.114551428433  0.095767372218  4.030587187460  -0.165515916986  -0.305270742852  -0.028456036758  0.001558744710  0.004631290276  0.000583691827
  21  Al  4.084729981809  2.045507352015  6.058907479907  -0.061148515084  0.144145655583  0.222721338699  0.001538940425  0.003910188965  -0.000682986359
  22  Al  6.088899943444  0.004355610395  6.082741057166  0.008487170878  0.050393583783  0.019967180386  0.000761671818  -0.003067891253  0.001880390793
  23  Al  6.189384186801  2.005472518899  4.034763005196  -0.220577426053  0.043083425314  0.175311246454  0.003855469236  -0.000145986737  0.001540157093
  24  Al  4.088643825913  4.014110798068  0.166583189326  -0.076985115838  0.016663746657  -0.656120844086  -0.000035171950  -0.001990895244  0.005739380730
  25  Al  4.049495972028  6.125351052340  2.052778295634  0.071207112627  -0.082691488531  -0.159335004002  0.002700084485  -0.001502663127  -0.001430182100
  26  Al  5.956714961315  4.184959409492  1.949818924247  0.247832438269  -0.347040372504  0.431381675254  -0.004618692733  0.004663786407  -0.002845275073
  27  Al  5.994221890967  6.036556743919  0.105478434342  0.131552110089  0.034051133290  -0.467841847273  -0.003204022617  -0.004232868554  0.003418705436
  28  Al  4.084263561440  4.122291976923  4.136464297522  0.018251718668  -0.166402984923  -0.260325027498  0.001396040012  0.001023951092  0.003447162735
  29  Al  4.009951005673  6.065358038058  6.220859030134  0.271535124518  -0.103477541129  -0.137436426402  -0.001020028201  -0.004553087220  0.002119033972
  30  Al  6.095279070522  4.033381031136  6.148442685396  -0.220774121840  0.184918401489  -0.011090786412  -0.001286098147  -0.000907915362  0.003205689286
  31  Al  6.142395701938  5.994060623208  4.003960460305  -0.143187893657  0.280466351246  0.008943986966  0.000651343123  -0.003375151355  -0.001719195123


MDSTEP:  49
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -75.304383390375  -0.807523593713  2.307986480762
  -0.807523593713  -73.659041675961  -2.727522001206
  2.307986480762  -2.727522001206  -70.005336621028
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.028501066879  7.991386388381  8.026772311141  0.315063338354  0.020420600779  -0.089870041902  -0.001676275678  -0.003646701170  -0.003003565866
  1  Al  8.096278109328  1.924010740675  1.977739234279  0.160938170812  0.136037003442  0.025685968156  0.000837380780  -0.004273780438  -0.000694063455
  2  Al  1.939752780728  8.008044413434  1.910287461148  0.080857439568  0.260698546675  0.383373263036  -0.001943865698  -0.002779024071  -0.004682923126
  3  Al  1.970207561248  2.009906671459  8.055706818216  0.090032312564  0.045020642671  -0.048321618987  -0.001524647786  0.001425643623  -0.003908362314
  4  Al  0.034623046333  7.988303176369  4.214759520261  0.075653261688  0.177085944207  -0.533202978180  0.002946669068  -0.003890504943  0.004029466571
  5  Al  8.050727173144  1.975254330253  6.139164578731  0.165881669682  -0.060898766104  -0.260351903464  -0.003577442204  -0.004109141264  0.002509752230
  6  Al  2.022781085409  0.007195870448  6.029434083550  -0.117695590520  0.094898884362  0.199138324528  -0.000386960462  -0.002183114915  -0.003778777919
  7  Al  2.031715542048  1.993007226505  4.095138530129  -0.106112813815  -0.093602095358  -0.005738304996  0.001324656209  -0.004827039613  -0.002183221938
  8  Al  8.042834720064  4.131218552223  8.025901948078  0.016352496307  -0.252870995128  0.312224960113  -0.003854964131  0.002962458514  -0.000202612719
  9  Al  0.016730819365  6.083191039664  2.013679297134  -0.121505741659  -0.050056338537  0.132649808998  -0.001305223263  -0.000647649774  0.000342359333
  10  Al  2.095795794520  3.998145666693  2.018517269683  -0.208545407400  0.170420371055  0.128821778466  0.001509685480  0.002028365100  0.000411621871
  11  Al  2.024617376003  6.069705242460  0.128933219796  -0.081282920388  -0.003141092486  -0.264811937870  0.001465155866  0.000657893177  0.005031670297
  12  Al  8.061028443600  4.042087132543  4.030979961574  0.212515239039  -0.069097078678  0.098632811584  0.001079091631  0.001094492829  0.000516092369
  13  Al  8.045237670575  6.042512763909  6.061918251590  0.019353308626  0.119549733697  0.129740990308  -0.004328488795  0.000468461854  0.000599115897
  14  Al  1.989883677538  4.014774961947  6.123281988382  0.061841925667  -0.183577476743  -0.089389068832  -0.000593201745  -0.002951219607  0.002451186984
  15  Al  2.099156487362  6.114334523408  3.957223088438  -0.299657314452  0.054955446223  0.126808703648  0.002748705768  0.004256528077  -0.001117888705
  16  Al  4.095383628891  0.107089950921  0.012264071221  -0.021765949167  -0.228839984295  0.146341505834  -0.001268050313  0.004926717833  0.000938840878
  17  Al  3.892927274967  1.967494161395  2.023372484434  0.384669422654  0.229558679637  -0.002088046194  -0.006250256540  0.000192168653  0.001628293976
  18  Al  6.137383732848  7.976685894392  1.954328193090  -0.156272514404  0.093769968788  0.250936806430  0.000344084233  -0.003514022963  -0.003775246280
  19  Al  6.107750755677  2.130093186999  8.005111060681  -0.301749903076  -0.206956007544  0.236808797898  -0.000298504613  0.002070024437  -0.002753050120
  20  Al  4.115458502296  0.097950567430  4.030987827467  -0.164060943782  -0.313153950977  -0.025728254353  0.001479373754  0.004103437459  0.001159954289
  21  Al  4.085503826634  2.047505284248  6.058537709410  -0.066642685196  0.141127945544  0.226004889112  0.001442388146  0.004250102600  -0.000837128180
  22  Al  6.089126769588  0.002846169740  6.083604452316  0.000708630528  0.047083087654  0.015608180102  0.000232952468  -0.003195021447  0.001454277919
  23  Al  6.191131973625  2.005581200665  4.035597412345  -0.223526569626  0.042545426473  0.167554709277  0.003127372643  0.000479316318  0.001890927793
  24  Al  4.088617132167  4.013111844434  0.169363489440  -0.083766358772  0.016651450173  -0.676395816081  0.000181200677  -0.001704835608  0.005512239535
  25  Al  4.050992060873  6.124485762806  2.051977375898  0.065630184455  -0.079341831382  -0.155849680099  0.003103352699  -0.001515691165  -0.001650867727
  26  Al  5.954296827424  4.187248575211  1.948237749683  0.260601323280  -0.366351525809  0.448568461197  -0.004421755216  0.004380920227  -0.003117211844
  27  Al  5.992606326273  6.034541004998  0.106982507034  0.133113844423  0.044243882110  -0.484683019003  -0.002996359762  -0.004020985216  0.002700267477
  28  Al  4.085130631536  4.122619494725  4.138160477225  0.015092572901  -0.166407122374  -0.259986479653  0.001512818532  0.000467513950  0.003630731004
  29  Al  4.009342339841  6.063264169151  6.221867211096  0.268849835938  -0.100507378766  -0.136779601048  -0.001112056832  -0.004158076635  0.001785587144
  30  Al  6.094555521558  4.033065471818  6.150077167479  -0.229138022641  0.193920572513  -0.012706821679  -0.001800631538  -0.000531572034  0.003202276290
  31  Al  6.142563902970  5.992345798523  4.003004833798  -0.145432241587  0.286813458179  0.017003613655  -0.000025968227  -0.003027027625  -0.002060166169


MDSTEP:  50
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -75.098810371038  -0.869117184154  2.424471425735
  -0.869117184154  -73.357001780977  -2.817220774926
  2.424471425735  -2.817220774926  -69.494834079034
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.027679021665  7.989559438639  8.025374947208  0.319883129047  0.021931611910  -0.083934299593  -0.001704065786  -0.003864714822  -0.002771307985
  1  Al  8.096813807231  1.921903796672  1.977488255669  0.156435916275  0.139385062113  0.026206158813  0.001090340339  -0.004369759992  -0.000593301818
  2  Al  1.938774441272  8.006493827407  1.907871759708  0.075120300899  0.275138289321  0.391896236122  -0.002086768441  -0.003381044673  -0.004959197497
  3  Al  1.969579822882  2.010774924648  8.053730166047  0.091046365025  0.041838308049  -0.040076902878  -0.000975353710  0.001904240299  -0.004283162599
  4  Al  0.035949694636  7.986213992175  4.216881763632  0.070216909184  0.183045914038  -0.548139084959  0.002496525845  -0.003973785754  0.004058834316
  5  Al  8.048814273257  1.973205299598  6.140444444004  0.171274927479  -0.057617081681  -0.264092028268  -0.003579533525  -0.004081064788  0.002766658545
  6  Al  2.022454124967  0.006096623359  6.027618844088  -0.111230005554  0.092814280877  0.209025826769  -0.000325893458  -0.002019164085  -0.003892056458
  7  Al  2.032420691425  1.990657905919  4.094096612004  -0.113742045369  -0.088331447239  -0.004713860174  0.001633973334  -0.004820234626  -0.001982164216
  8  Al  8.040741610245  4.132850568105  8.025800325043  0.019979611750  -0.260839241078  0.319176180779  -0.004503455996  0.003119301721  -0.000375349975
  9  Al  0.016127297822  6.082699654722  2.013979521762  -0.123181817740  -0.050117920485  0.132823245255  -0.001228797756  -0.001062731152  0.000395116459
  10  Al  2.096675121411  3.999180324399  2.018650973254  -0.218349473805  0.165337962658  0.133042672763  0.001925956353  0.002268945363  0.000205096844
  11  Al  2.025394049618  6.069975064712  0.131547879651  -0.084818557515  -0.009016647045  -0.284416816175  0.001378180633  0.000369268713  0.005287860095
  12  Al  8.061532281864  4.042743398685  4.031371864694  0.214410431149  -0.074612472689  0.093855856805  0.001138175124  0.001358222384  0.000950799031
  13  Al  8.043126526302  6.042805645219  6.062322719037  0.026150455417  0.115482440324  0.130653466872  -0.003897074129  0.000545403901  0.000779384686
  14  Al  1.989415452987  4.013397422943  6.124623458580  0.064847422709  -0.178303414527  -0.093466137827  -0.000597863162  -0.002582395213  0.002418927471
  15  Al  2.100663295077  6.116599972020  3.956609524952  -0.301783438288  0.051993110971  0.132575520704  0.002811864582  0.004527180709  -0.001077341280
  16  Al  4.094760498943  0.109359768908  0.012844271477  -0.020203513392  -0.234410807311  0.140007394494  -0.001530585211  0.004472589987  0.001086569888
  17  Al  3.889712400534  1.967667237683  2.024158159620  0.395485751680  0.231281503354  -0.007016010513  -0.006577027925  0.000210217920  0.001717514492
  18  Al  6.137656751064  7.975020165712  1.952419504644  -0.152202856782  0.104466144875  0.256388502169  0.000778972922  -0.003427911615  -0.004098195181
  19  Al  6.107495579099  2.131056083821  8.003730455945  -0.304189763690  -0.209336161452  0.251842901393  -0.000859759670  0.002130605092  -0.002755726408
  20  Al  4.116030802187  0.099870809677  4.031747141749  -0.160591416018  -0.319414608450  -0.025483595711  0.000957934414  0.003849114502  0.001300731904
  21  Al  4.086172369956  2.049757454615  6.058070351727  -0.070687249129  0.136403390507  0.230879795526  0.001457012201  0.004762967296  -0.000911914915
  22  Al  6.089132895912  0.001160588949  6.084195335085  -0.006216661729  0.046704600519  0.013897693039  -0.000117703532  -0.003337190850  0.000861125428
  23  Al  6.192511559444  2.005951835217  4.036653932989  -0.223553284328  0.042396438449  0.156724428304  0.002386189124  0.000683674501  0.002125142630
  24  Al  4.088825026591  4.012405962460  0.172095428862  -0.088702652726  0.014875282474  -0.694834554726  0.000401776111  -0.001505330550  0.005185561662
  25  Al  4.052599324727  6.123835361176  2.051127427907  0.061878222660  -0.077144005895  -0.152406196038  0.003330123859  -0.001190471499  -0.001507228585
  26  Al  5.952293206098  4.189340329719  1.946701712403  0.275405224066  -0.385902732061  0.464622075569  -0.004077033762  0.004322449149  -0.003213159210
  27  Al  5.991225531205  6.032535758704  0.108178701819  0.135994806475  0.053604130021  -0.498029150903  -0.002558234709  -0.003633691619  0.002355425152
  28  Al  4.085776379972  4.122759490873  4.140095028526  0.013824648553  -0.166398729028  -0.262780396053  0.001245929861  0.000492563066  0.004095718127
  29  Al  4.008838948840  6.061199961423  6.222644617278  0.266558096225  -0.097049539482  -0.135250252705  -0.000968706375  -0.003839983638  0.001665172183
  30  Al  6.093478438983  4.032849459102  6.151644961686  -0.233708097583  0.201372408662  -0.012190465687  -0.001813530428  -0.000674365645  0.002933050503
  31  Al  6.142369733712  5.991033595583  4.001900294136  -0.145351384945  0.290423929297  0.023211796837  -0.000629042377  -0.002342509496  -0.002485158233


MDSTEP:  51
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -74.880022992751  -0.932852823559  2.540252563855
  -0.932852823559  -73.039562098482  -2.903151077795
  2.540252563855  -2.903151077795  -68.974884653186
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.026797001093  7.987521673560  8.024001003156  0.325569371013  0.020750517482  -0.079979009964  -0.001585896952  -0.004312209089  -0.002645175410
  1  Al  8.097368449667  1.919640980683  1.977145932461  0.153509727744  0.139247542763  0.028182415472  0.001314089875  -0.004716284829  -0.001012642020
  2  Al  1.937666012287  8.004663368762  1.905328263650  0.070965287296  0.288783941153  0.401835620574  -0.002366529346  -0.003474145930  -0.005089143752
  3  Al  1.969232207539  2.011810911759  8.051423655617  0.094816946791  0.038420125296  -0.032617495594  -0.000666874781  0.001961452524  -0.004918040962
  4  Al  0.037119572178  7.984329390615  4.218818354577  0.064846386605  0.186622554006  -0.561463142986  0.002175666460  -0.003579334918  0.004045192635
  5  Al  8.047147639620  1.971173265465  6.141931237276  0.175802254917  -0.056317552862  -0.269463969090  -0.003284670138  -0.004089437947  0.003155772943
  6  Al  2.022455191951  0.005176706363  6.025542027093  -0.104251789152  0.087828107307  0.218705336350  -0.000343844729  -0.001531400591  -0.004035706021
  7  Al  2.033349515381  1.988186991878  4.093156365912  -0.118757544211  -0.083831976490  -0.002627802797  0.002142931432  -0.004996402558  -0.001889634224
  8  Al  8.038331264068  4.134337853943  8.025526598102  0.027338933315  -0.264782238973  0.323697644548  -0.004731114231  0.002842612434  -0.000424207568
  9  Al  0.015502021609  6.082128308512  2.014074413593  -0.123422041789  -0.047992750499  0.134303184583  -0.001005689899  -0.001091952585  0.000162839550
  10  Al  2.097721750873  4.000414612056  2.018722366527  -0.225137607562  0.162419793336  0.137728385154  0.002395492847  0.002287904681  0.000229855143
  11  Al  2.025995556636  6.070074511172  0.134221079891  -0.085968310781  -0.015426393251  -0.306970561917  0.001245880963  -0.000162084029  0.005514348776
  12  Al  8.062166618724  4.043445354927  4.031930760605  0.217017730196  -0.077175545577  0.091059025176  0.001376743930  0.001236673372  0.001112733240
  13  Al  8.041340596446  6.043058167809  6.062697636275  0.033038136025  0.113374710824  0.130561491237  -0.003891928065  0.000748121822  0.001018933792
  14  Al  1.989285814376  4.012192566734  6.125700915854  0.070288134045  -0.170126256790  -0.096504900624  -0.000545364414  -0.002707977015  0.002178643978
  15  Al  2.101968351944  6.118861704116  3.956145747158  -0.301093139978  0.049252974445  0.139425418976  0.002890432600  0.004598743438  -0.001280360256
  16  Al  4.093853043680  0.111562540909  0.013350641109  -0.018552886037  -0.242453011531  0.132392579036  -0.001638446602  0.004491069727  0.001313370028
  17  Al  3.886350247042  1.967704379315  2.025089998926  0.406079695694  0.232302528160  -0.010880177378  -0.006780109707  0.000156713517  0.001703073925
  18  Al  6.138162705770  7.973257982778  1.950229997909  -0.150511079083  0.113918310555  0.265045605192  0.001221740390  -0.003743878427  -0.004204768999
  19  Al  6.106890996007  2.132223792091  8.002355334272  -0.307939017132  -0.214555167423  0.264117616269  -0.001283116242  0.001934500207  -0.002907291970
  20  Al  4.116416436710  0.101799681933  4.032288559371  -0.155596166499  -0.327198803943  -0.023178317493  0.001035417528  0.004144356813  0.001070472384
  21  Al  4.086960838835  2.052268251544  6.057625794495  -0.075939893037  0.131392408673  0.233733549663  0.001547265648  0.005027568963  -0.000854870041
  22  Al  6.089009066055  8.099505226634  6.084465577744  -0.014705765059  0.043435060997  0.010687078685  -0.000412994480  -0.003540855092  0.000766704611
  23  Al  6.193518162749  2.006264875166  4.037722554974  -0.226140792912  0.039673433588  0.147966137588  0.002182438315  0.000399964076  0.002230835193
  24  Al  4.089018908278  4.011606513883  0.174549051102  -0.096505136263  0.015893270007  -0.716105333475  0.000465504840  -0.001737298132  0.004987017515
  25  Al  4.054322184732  6.123295291307  2.050470147312  0.056262889377  -0.073153217080  -0.148493081634  0.003192577339  -0.001281191425  -0.001431824789
  26  Al  5.950219793661  4.191571024360  1.945024590473  0.287459256579  -0.403577318184  0.482146886711  -0.004338859835  0.004744521434  -0.003648084894
  27  Al  5.990048091564  6.030907313379  0.109337932186  0.136206307886  0.063601332275  -0.514661462896  -0.002647920391  -0.003391512330  0.002341559397
  28  Al  4.086376561397  4.123112057791  4.142256195352  0.011313795838  -0.164648146480  -0.262932788818  0.001100449792  0.000386259626  0.004482981883
  29  Al  4.008373633466  6.059424185513  6.223532383280  0.263877550046  -0.094776841611  -0.135507453399  -0.001241038479  -0.003522979345  0.001962630981
  30  Al  6.092741991131  4.032391106173  6.153010217982  -0.242779457486  0.212448505796  -0.013449800148  -0.001647915475  -0.000964310049  0.002886517717
  31  Al  6.141934860593  5.990003289027  4.000519675566  -0.147091776386  0.296650104028  0.033247322998  -0.000671720728  -0.001737585478  -0.002926645068


MDSTEP:  52
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -74.624872159671  -1.002388472325  2.655583059939
  -1.002388472325  -72.713293529785  -2.998846004386
  2.655583059939  -2.998846004386  -68.408868053452
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.026093124713  7.985247229550  8.022729771798  0.328899906764  0.021612154278  -0.073592999681  -0.001527963841  -0.004775648763  -0.002604166926
  1  Al  8.098127897106  1.917187511843  1.976475613648  0.147622294591  0.140904687133  0.029117370544  0.001223427598  -0.004549345771  -0.001253317750
  2  Al  1.936407911925  8.003019681477  1.902782615956  0.066821442353  0.302897112161  0.410468059524  -0.002335283511  -0.003207473875  -0.004726562882
  3  Al  1.968912948101  2.012736377172  8.048812125085  0.097131792639  0.035382123217  -0.021595849789  -0.000668334966  0.002012663590  -0.005468591648
  4  Al  0.038125361096  7.982634657256  4.220926956268  0.058661923128  0.190538212496  -0.577867786003  0.002226894027  -0.003053745683  0.003843876607
  5  Al  8.045529603119  1.969115861650  6.143600216946  0.179469171682  -0.053924403044  -0.273965023801  -0.002965051138  -0.003741923748  0.003211988604
  6  Al  2.022110280238  0.004565222769  6.023583138066  -0.095673532030  0.081540344946  0.229737161864  -0.000747812216  -0.001319737924  -0.003890685431
  7  Al  2.034563622857  1.985661503361  4.092206977780  -0.126066505618  -0.078148563483  -0.002327524730  0.002185301587  -0.005109151966  -0.002255620544
  8  Al  8.036010496014  4.135693180540  8.025376117476  0.032805700883  -0.270222463262  0.331025553505  -0.004254423576  0.002808202078  -0.000334790371
  9  Al  0.015121607923  6.081607702137  2.014142361312  -0.126388569020  -0.047695189905  0.134356219377  -0.000608873322  -0.001070567256  -0.000003878975
  10  Al  2.099070614258  4.001468229080  2.018880828397  -0.234747727919  0.159239234298  0.141202045764  0.003012897595  0.002296367015  0.000297802078
  11  Al  2.026639930581  6.069812980683  0.137062228428  -0.088091750689  -0.021352917314  -0.328607977339  0.001183854010  -0.000265608303  0.005542425134
  12  Al  8.062909025795  4.043980072056  4.032484597935  0.218198838331  -0.080563480575  0.085732239590  0.001856718880  0.001103610320  0.001436485764
  13  Al  8.039234598237  6.043553767041  6.063341652829  0.040104585829  0.108666743124  0.131253893879  -0.003897331821  0.000628607374  0.001415453129
  14  Al  1.988870088573  4.010689445928  6.126802102558  0.075048218803  -0.161345555788  -0.098991464303  -0.001172664209  -0.002780471485  0.002233994506
  15  Al  2.103553727677  6.121198715458  3.955329164696  -0.301546509412  0.046202842376  0.146420487871  0.002847663934  0.004746360075  -0.001575679013
  16  Al  4.093122052341  0.113850838635  0.014157641505  -0.015681693476  -0.250263053644  0.125548922627  -0.001448755921  0.004197648203  0.001915592927
  17  Al  3.882932290827  1.967823951201  2.025861233545  0.418866305674  0.232365934519  -0.016352527696  -0.006397619176  0.000077911606  0.001382906576
  18  Al  6.138878491454  7.971276287285  1.948214735646  -0.148425338296  0.125281542258  0.270748489073  0.001039298481  -0.004124594876  -0.003628912573
  19  Al  6.106212462858  2.132990584028  8.000823163974  -0.310658458674  -0.218603058972  0.281228279424  -0.001442443715  0.001845984209  -0.003069302505
  20  Al  4.117066219715  0.104015166489  4.032817614133  -0.150154551151  -0.335917289227  -0.022751433115  0.001436531256  0.004695657275  0.000818409883
  21  Al  4.087719635603  2.054785023578  6.057215481686  -0.080177976796  0.125826966899  0.238520105849  0.001257180919  0.004873540983  -0.001143210966
  22  Al  6.088719901432  8.097615981601  6.084962039696  -0.022951045238  0.041400073504  0.009021431187  -0.000532846165  -0.003914541869  0.001059862517
  23  Al  6.194693997759  2.006351799293  4.038884768182  -0.226831244746  0.038395069615  0.135493826554  0.002318578264  -0.000064597767  0.002401047408
  24  Al  4.089290531430  4.010668664329  0.177082446377  -0.103572729979  0.016189064504  -0.736614178953  0.000279958897  -0.002085578537  0.004904513813
  25  Al  4.055791902066  6.122554169751  2.049695603118  0.052624288446  -0.068676684082  -0.145515170030  0.003101996125  -0.001609569315  -0.001906248077
  26  Al  5.947954346264  4.194084851153  1.943053627509  0.303167620905  -0.424492104803  0.500584980609  -0.004644736273  0.005215670207  -0.004190668299
  27  Al  5.988577610814  6.029144246373  0.110520261216  0.138210707636  0.075049024403  -0.529874877618  -0.003151444694  -0.003256405662  0.002183833779
  28  Al  4.086876829764  4.123145750499  4.144578010409  0.010220884769  -0.161382838752  -0.265710322781  0.000980898615  0.000298546592  0.004655189346
  29  Al  4.007597910362  6.057676982078  6.224607248258  0.262028634441  -0.092262839431  -0.134555727088  -0.001550941545  -0.003676030733  0.002152711850
  30  Al  6.091830523509  4.031885149053  6.154531479404  -0.250066485879  0.223144695012  -0.013397713918  -0.001539896113  -0.000648483402  0.002996362806
  31  Al  6.141698012983  5.989296010104  3.998973649068  -0.148848197951  0.300214617539  0.041261509603  -0.000793111754  -0.001660263766  -0.002876354685


MDSTEP:  53
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -74.382122671079  -1.071870390603  2.773126378087
  -1.071870390603  -72.363858071484  -3.090657778483
  2.773126378087  -3.090657778483  -67.871511680578
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.025269037252  7.982746024797  8.021396836230  0.331580515230  0.023378716588  -0.068690354806  -0.001894397903  -0.004837898681  -0.002993161918
  1  Al  8.098591877265  1.915091634912  1.975892614711  0.143213624130  0.140528421528  0.031150892734  0.001095496694  -0.004394261247  -0.001360488385
  2  Al  1.935330728776  8.001455894887  1.900601700768  0.061006271648  0.318447201535  0.420028968777  -0.002275020670  -0.003198424330  -0.004353898341
  3  Al  1.968563872572  2.013823575348  8.045955063969  0.099621939009  0.033569767243  -0.011023708128  -0.000521341123  0.001851738398  -0.005494179134
  4  Al  0.039346466205  7.981275644932  4.222662231184  0.049817567671  0.194418815782  -0.590676706249  0.002619352868  -0.002793056454  0.003471470013
  5  Al  8.044182588481  1.967431341717  6.145143225880  0.181305859315  -0.052957917005  -0.279611202521  -0.002420271230  -0.003328092660  0.002989674913
  6  Al  2.021707379735  0.003856968439  6.021651341662  -0.089391581754  0.075922042059  0.239248136661  -0.001059697991  -0.001761734683  -0.004005259619
  7  Al  2.035534816968  1.983077839912  4.090900745368  -0.133550204516  -0.072777070093  -0.000709083860  0.002101717409  -0.005165386987  -0.002600303770
  8  Al  8.034076840492  4.137146056022  8.025191807731  0.038041439190  -0.276563963988  0.336473301018  -0.004010216639  0.002773004126  -0.000371494683
  9  Al  0.014893148287  6.081057741256  2.014070534619  -0.129753977710  -0.046202911497  0.136228888248  -0.000289244115  -0.001128141037  -0.000072789623
  10  Al  2.100734648468  4.002710979070  2.019020168605  -0.245664596163  0.154202226512  0.145144479305  0.003290622432  0.002545545931  0.000113255121
  11  Al  2.027179410646  6.069808902869  0.139763505025  -0.090581479089  -0.029109488211  -0.351934760975  0.001104527909  -0.000165039527  0.005303423891
  12  Al  8.064023337604  4.044548965246  4.033367246369  0.218978591484  -0.084690449678  0.081854448049  0.002445395336  0.001205706930  0.001980559497
  13  Al  8.037443264625  6.043686775184  6.064113089404  0.046088699971  0.107529629131  0.129327088313  -0.003776105864  0.000147509898  0.001821088006
  14  Al  1.988113150167  4.009412095250  6.127934910359  0.080215450115  -0.153642490508  -0.102062345264  -0.001149867324  -0.002869935885  0.002041144692
  15  Al  2.104816015878  6.123608064191  3.954570068145  -0.302296130311  0.042481394301  0.154688225565  0.002532893189  0.005100591739  -0.001299572071
  16  Al  4.092404287759  0.115760189112  0.015266234036  -0.012806461579  -0.256960734774  0.116541120334  -0.001065064328  0.003456507676  0.002427006111
  17  Al  3.879952627867  1.967782290920  2.026472905502  0.428724988391  0.232816626158  -0.020365614646  -0.006081526068  0.000171145609  0.001036121124
  18  Al  6.139202004251  7.969133387901  1.946601085336  -0.142608748660  0.137222253344  0.277697406864  0.000812262161  -0.004556892476  -0.003086733857
  19  Al  6.105448552291  2.134069776300  7.999286031767  -0.311017092660  -0.224524075723  0.295297687779  -0.001773947855  0.002372103705  -0.003334860935
  20  Al  4.117852967965  0.106495339208  4.033106969254  -0.143867656794  -0.344312408748  -0.020652061328  0.001757156138  0.004778119220  0.000702674227
  21  Al  4.088218019754  2.057141792527  6.056482583529  -0.084383475671  0.121109054804  0.242426207485  0.000639238542  0.004985597736  -0.001090029922
  22  Al  6.088476219890  8.095590684765  6.085525440261  -0.028575154431  0.039759886693  0.004893128315  -0.000500753611  -0.003906030603  0.001177166819
  23  Al  6.195836741013  2.006200277400  4.040123602383  -0.224592636189  0.035214555178  0.125435772565  0.002085096119  -0.000020713915  0.002777649977
  24  Al  4.089298867175  4.009520935347  0.179453564915  -0.112961760629  0.017082491593  -0.758896994464  -0.000260410807  -0.002027901288  0.005009947766
  25  Al  4.057424180857  6.121685721992  2.048563899236  0.046368461730  -0.062556646885  -0.140727920780  0.003153844505  -0.001803669786  -0.001975598202
  26  Al  5.945575057388  4.196786694567  1.940833922174  0.320960011931  -0.445986149754  0.519723625098  -0.004979808990  0.005258980232  -0.004029421692
  27  Al  5.986896646870  6.027650907717  0.111521765965  0.142578471243  0.086781321563  -0.547070191753  -0.003023218100  -0.002859744369  0.002146268528
  28  Al  4.087357460012  4.123410604383  4.146911384698  0.007566975104  -0.160168987391  -0.265978331433  0.000714615836  0.000425819247  0.004889411223
  29  Al  4.006822691921  6.055748154779  6.225685095130  0.259453868450  -0.089498570413  -0.134437597814  -0.001290017063  -0.003786866372  0.002274871509
  30  Al  6.091202095017  4.031742622771  6.156006580789  -0.256233849425  0.232234790078  -0.014704147506  -0.000973991242  -0.000371359008  0.002577085691
  31  Al  6.141141748839  5.988343025261  3.997643320881  -0.147237929031  0.307252670576  0.051381644418  -0.001064319395  -0.001950083920  -0.002342627497


MDSTEP:  54
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -74.120634725541  -1.146547836661  2.903804806451
  -1.146547836661  -72.013172665195  -3.181388300030
  2.903804806451  -3.181388300030  -67.322707331683
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.024198726810  7.980409330869  8.019736609880  0.336200298324  0.025118433493  -0.061484815598  -0.002069670992  -0.004369777165  -0.003260842601
  1  Al  8.099223393800  1.912793250596  1.975115125263  0.137999640396  0.142569618642  0.033091871583  0.000982424775  -0.004824308698  -0.001590457754
  2  Al  1.934132891256  7.999821257147  1.898428717615  0.057832314418  0.333853608499  0.427717248542  -0.002736383822  -0.003380869425  -0.004450041956
  3  Al  1.968391606979  2.014588115570  8.043317945951  0.103052878790  0.032517291928  -0.000552060595  -0.000704569459  0.001640403049  -0.005109440356
  4  Al  0.040744713965  7.979841600803  4.224398426281  0.041591426867  0.198620330279  -0.604735257594  0.003076714179  -0.002621264862  0.003089238702
  5  Al  8.043109331889  1.965787768990  6.146589891860  0.183854661831  -0.049924241658  -0.283256470557  -0.001859915421  -0.003123675918  0.003018440277
  6  Al  2.021050582246  0.002803488085  6.019577878448  -0.079184970603  0.071040234752  0.252024804862  -0.001224878774  -0.001808709623  -0.004398067226
  7  Al  2.036665340266  1.980496116374  4.089606674011  -0.140438178006  -0.066366041774  0.000277630356  0.002223805084  -0.005005108113  -0.002437699210
  8  Al  8.032000279376  4.138466184666  8.025004622792  0.044561845214  -0.282395675421  0.342846184541  -0.004372162348  0.002667370238  -0.000685246359
  9  Al  0.014832363808  6.080479561099  2.014069571689  -0.132576730975  -0.047787097816  0.136561750617  -0.000361271252  -0.001405864395  -0.000041835316
  10  Al  2.102361236690  4.004013775011  2.018994083518  -0.256149781967  0.149808213623  0.149566552514  0.002913302021  0.002757516816  -0.000185050785
  11  Al  2.027744458489  6.069647941156  0.142365652318  -0.091192568578  -0.037098171099  -0.375363056344  0.001236471432  -0.000086317236  0.005107316968
  12  Al  8.065354421131  4.045185778987  4.034465157432  0.219809483716  -0.088472449143  0.076507681314  0.002370090483  0.001511188943  0.002368880371
  13  Al  8.035458492373  6.043701276939  6.065162740835  0.054217968316  0.103662492923  0.128401548925  -0.004034926198  0.000291374213  0.002021160788
  14  Al  1.987720221249  4.007819510044  6.128843247250  0.085017849617  -0.143666736173  -0.103147801657  -0.001098313798  -0.003010740177  0.001561587772
  15  Al  2.106086620866  6.126299307197  3.954029592624  -0.300832979541  0.035525413973  0.162091035882  0.002238280421  0.005417143163  -0.000773956589
  16  Al  4.092056988013  0.117307346311  0.016584647616  -0.011838994993  -0.262924878733  0.108401571659  -0.000418233070  0.002830575298  0.002829415080
  17  Al  3.876850764759  1.967995096810  2.026897354668  0.439970094540  0.232107665861  -0.025140164824  -0.005781445843  0.000578473712  0.000804558990
  18  Al  6.139690753615  7.966719394808  1.945128001788  -0.140471291652  0.150783310965  0.282973049150  0.001077076730  -0.004527532950  -0.003250808980
  19  Al  6.104438515003  2.135362687733  7.997488303039  -0.311878845231  -0.230195412868  0.312257617824  -0.001891847779  0.002214306783  -0.003772865444
  20  Al  4.118823375853  0.108793285709  4.033520288360  -0.138860922853  -0.351625004496  -0.020546282048  0.001640195016  0.004275145091  0.001121310637
  21  Al  4.088358874146  2.059770621314  6.056125451764  -0.089416106687  0.115821038863  0.246777847122  0.000219674462  0.005467952129  -0.000523058065
  22  Al  6.088219147821  8.093709950998  6.086139206515  -0.036258060264  0.037772034396  0.002720773699  -0.000232462686  -0.003439088246  0.001266666266
  23  Al  6.196779093878  2.006331085379  4.041662418159  -0.223522766402  0.034116409883  0.112263546292  0.001942466051  0.000101093378  0.002998173052
  24  Al  4.089030120623  4.008640763040  0.182092394143  -0.121718455905  0.018371673066  -0.781236060460  -0.000910028297  -0.001863767569  0.004906286508
  25  Al  4.058945746571  6.120750499965  2.047720004916  0.039789352699  -0.056662871080  -0.137983701568  0.002802733669  -0.001870970625  -0.001536050242
  26  Al  5.942974537274  4.199343831384  1.939024205817  0.338474830168  -0.467569520615  0.537104784483  -0.005458799165  0.004943657361  -0.003250062731
  27  Al  5.985554392714  6.026284502004  0.112666529744  0.143926200995  0.095498466415  -0.563519235845  -0.002403778207  -0.002834308844  0.002292814304
  28  Al  4.087591445600  4.123571569746  4.149467421632  0.004595599458  -0.158189420038  -0.267444191525  0.000310252314  0.000671886784  0.005018166988
  29  Al  4.006307893299  6.053890115707  6.226882119767  0.254834093695  -0.088171977951  -0.132593232894  -0.001129744253  -0.003566047539  0.002360163607
  30  Al  6.090856532267  4.031513790045  6.157108565094  -0.263877568995  0.242355454103  -0.014246349712  -0.000690255025  -0.000200497433  0.002287663225
  31  Al  6.140633693589  5.987345926184  3.996631021571  -0.147510316394  0.311507807203  0.059663181856  -0.001074952687  -0.002148180519  -0.002059308360


MDSTEP:  55
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -73.861209955901  -1.226533463646  3.036372660070
  -1.226533463646  -71.683912306102  -3.256346482743
  3.036372660070  -3.256346482743  -66.765825359487
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.023199366260  7.978376247632  8.018135993629  0.339701262274  0.025064544732  -0.053728798804  -0.002215904657  -0.004325427820  -0.003312384254
  1  Al  8.099574302039  1.910267326214  1.974302156957  0.135167560951  0.142949287730  0.035968929610  0.000870256427  -0.004836093086  -0.001526827240
  2  Al  1.932594344953  7.998075025463  1.896151658812  0.052622099027  0.348293915418  0.436787933122  -0.003343627414  -0.003258104897  -0.004146018315
  3  Al  1.967859303113  2.015463978398  8.040845623614  0.106585006306  0.031412179911  0.010808209471  -0.001239139257  0.002075178116  -0.004949871379
  4  Al  0.042423180384  7.978654380070  4.225751469886  0.031582291557  0.200658510769  -0.619509812960  0.003681606693  -0.002701634390  0.002875395518
  5  Al  8.042322673060  1.964307665800  6.148161666157  0.186402170720  -0.048281390819  -0.288440029488  -0.001279278901  -0.002679901688  0.002844184850
  6  Al  2.020482500961  0.002048258816  6.017253274437  -0.071479503301  0.064326362354  0.264310233317  -0.001174634605  -0.001755508557  -0.004866867950
  7  Al  2.037758622052  1.978072731799  4.088463046158  -0.148282220476  -0.057656577210  -0.000953102186  0.002452557781  -0.004841736606  -0.002028723844
  8  Al  8.029704678143  4.139813426260  8.024506561372  0.054138819704  -0.287385560351  0.350102427969  -0.004655667987  0.002289894002  -0.000851832420
  9  Al  0.014531877035  6.079651876861  2.014028699303  -0.133558202007  -0.046020431281  0.138723385261  -0.000978565296  -0.001694982784  0.000219657871
  10  Al  2.103647950489  4.005468495886  2.018835117821  -0.266274785339  0.145476918001  0.156625832813  0.002490315670  0.002978960082  -0.000667963456
  11  Al  2.028415882079  6.069722585633  0.144870821993  -0.094489327814  -0.045760728892  -0.397260094686  0.001531274226  0.000002993515  0.005134248977
  12  Al  8.066393428087  4.046060154189  4.035736126739  0.223911496660  -0.090995399821  0.069968364644  0.002006610850  0.001676172236  0.002533335887
  13  Al  8.033408338426  6.043978149396  6.066134250192  0.062386727538  0.101147948457  0.125821314599  -0.004181362546  0.000687319239  0.001899423485
  14  Al  1.987014836369  4.006401355073  6.129496498131  0.090409874422  -0.133890297814  -0.105808609760  -0.001161299851  -0.002740545685  0.001260760887
  15  Al  2.107054296299  6.129025207354  3.953796111556  -0.300035301509  0.027215703080  0.167387632133  0.001999023952  0.005417651552  -0.000581975339
  16  Al  4.091986054689  0.118590764410  0.018095649116  -0.011293372549  -0.268881909708  0.099864449956  0.000072529353  0.002855261887  0.002997538584
  17  Al  3.874171182024  1.968360764633  2.027277464492  0.447282039557  0.231910463092  -0.028546459040  -0.004969838600  0.000991509492  0.001093920636
  18  Al  6.140279080981  7.964605854951  1.943350276356  -0.135309380425  0.161617249286  0.290229096553  0.001356016862  -0.004413042636  -0.003164714751
  19  Al  6.103556704513  2.136284083083  7.995513166323  -0.312069101803  -0.236904353649  0.328525961718  -0.001849731937  0.001594577446  -0.003970299626
  20  Al  4.119493162981  0.110770484298  4.034228279891  -0.132227150693  -0.359371249221  -0.021587532987  0.001170234038  0.004010620600  0.001036502527
  21  Al  4.088437694216  2.062609744656  6.055959525465  -0.095070715454  0.111326818593  0.250314668671  0.000004290571  0.005599136312  -0.000447360938
  22  Al  6.088243757204  8.092151596519  6.086792106527  -0.042632108524  0.033859774786  -0.000252710373  -0.000286807809  -0.002867417396  0.001476386559
  23  Al  6.197779207064  2.006301370777  4.043121775435  -0.222001961222  0.031850108734  0.099565112026  0.002008644242  -0.000305120398  0.002845077475
  24  Al  4.088388838878  4.007657167777  0.184359851423  -0.131011449874  0.020098738826  -0.801066841616  -0.000922342480  -0.001597676821  0.004093849863
  25  Al  4.060226914526  6.119814751367  2.047027848993  0.031995200134  -0.050780269137  -0.133590245018  0.002515772771  -0.001781008885  -0.001373048133
  26  Al  5.940116258224  4.201730351928  1.937583859443  0.355103178763  -0.487316216784  0.554811551809  -0.005452770318  0.004633593821  -0.002847489961
  27  Al  5.984492868663  6.024816598873  0.113814580268  0.145890558631  0.107270628661  -0.579597675568  -0.002286596712  -0.003033392482  0.002072719218
  28  Al  4.087667712327  4.124082491167  4.151929551686  -0.001103649979  -0.155935521282  -0.268631228340  -0.000067863298  0.000705896727  0.004866374048
  29  Al  4.005692947668  6.052182107240  6.228045258737  0.250887565304  -0.086898725811  -0.132722239289  -0.001446218645  -0.003398249043  0.002448094909
  30  Al  6.090511839992  4.031542125338  6.158294244014  -0.271483926612  0.252620904290  -0.016144469894  -0.000651878471  0.000308989688  0.002239111139
  31  Al  6.140066796152  5.986194844742  3.995584012521  -0.145743693969  0.318978575058  0.068024746339  -0.001080913193  -0.002548562576  -0.001884701755


MDSTEP:  56
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -73.590649471804  -1.313001091297  3.183378694661
  -1.313001091297  -71.354395011945  -3.347156569724
  3.183378694661  -3.347156569724  -66.232125640676
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.021982822152  7.976083903050  8.016424225626  0.344243178481  0.028847411411  -0.047400677052  -0.002097067973  -0.004805199769  -0.003359593217
  1  Al  0.000097402484  1.907957157510  1.973588298024  0.129178831298  0.142588920316  0.038375758242  0.001142886050  -0.004419852370  -0.001242538359
  2  Al  1.930789263841  7.996563152249  1.894282699300  0.050877173014  0.361374946820  0.444803484186  -0.003930056098  -0.002818547682  -0.003519356401
  3  Al  1.967152467722  2.016663293685  8.038368074572  0.111883006397  0.025533618057  0.019321375637  -0.001713485387  0.002137698480  -0.005055199988
  4  Al  0.044426320658  7.977139966413  4.227273821799  0.021020105709  0.205879928589  -0.632158995537  0.004059911310  -0.002670657089  0.003146727868
  5  Al  8.041830052988  1.963107867302  6.149434076709  0.186762682571  -0.048858977232  -0.293340722275  -0.001295018118  -0.002626935935  0.002185396328
  6  Al  2.019875947641  0.001047979528  6.014711010498  -0.060335912098  0.059641273533  0.277458437183  -0.001331538252  -0.002067345106  -0.005279290080
  7  Al  2.039117898048  1.975654379768  4.087577950167  -0.155823362901  -0.051385962635  0.001149982791  0.002935059431  -0.004771758453  -0.001625387976
  8  Al  8.027344611389  4.140756078667  8.024152790373  0.061493933687  -0.292696826142  0.354964336181  -0.004674074176  0.001581013811  -0.000678785341
  9  Al  0.013853798511  6.078784578316  2.014289229560  -0.132962182400  -0.043714663954  0.139652986478  -0.001090865264  -0.001565904496  0.000610381692
  10  Al  2.104851552360  4.006992735093  2.018326120061  -0.274654492793  0.140719306898  0.165467340216  0.002461393247  0.003130440427  -0.000792301089
  11  Al  2.029275732715  6.069650934671  0.147499901295  -0.096415468641  -0.049815565950  -0.420760559594  0.001471942251  -0.000336963204  0.005192316740
  12  Al  8.067361031981  4.046861951223  4.036998493319  0.227048351033  -0.096118676391  0.066236124138  0.002262281992  0.001426948952  0.002301485751
  13  Al  8.031277129828  6.044388596177  6.067062164320  0.071983710108  0.098393577163  0.123352594872  -0.004130492794  0.000721049162  0.001762193090
  14  Al  1.986558921398  4.005078964359  6.130104008137  0.095171821821  -0.124406710775  -0.110068341151  -0.000548807013  -0.002303049481  0.001055958619
  15  Al  2.108085644819  6.131716958749  3.953447617286  -0.296849411693  0.021497279925  0.175269186577  0.002177179864  0.004994353229  -0.000683566712
  16  Al  4.092129517366  0.120162608198  0.019582186200  -0.010956399089  -0.274273111737  0.090011268395  0.000487752619  0.002992575449  0.003250785650
  17  Al  3.871880926159  1.968986606301  2.027991275304  0.456469713028  0.228572991843  -0.033487414065  -0.004186165972  0.001026632831  0.001374992456
  18  Al  6.141046770477  7.962306352173  1.941963287037  -0.134252102114  0.175361699128  0.295016043731  0.001609802253  -0.004410215342  -0.002672546251
  19  Al  6.102588783065  2.136957265179  7.993518003414  -0.313127349628  -0.244463241975  0.341970992118  -0.002238952627  0.001365910056  -0.004087069464
  20  Al  4.119993609891  0.112803906308  4.034556790887  -0.126409617326  -0.366690531423  -0.019347667738  0.001151617613  0.003780256716  0.000961747354
  21  Al  4.088363164717  2.065369757625  6.055678090826  -0.098232366585  0.103848811092  0.253876551525  -0.000156637800  0.005410080736  -0.000789925897
  22  Al  6.087932340013  8.090842533602  6.087615593074  -0.050251582727  0.033028543963  -0.003661672008  -0.000253307065  -0.002749642449  0.001598192501
  23  Al  6.198787738120  2.006025964981  4.044507495634  -0.221595164843  0.029167120683  0.089446102691  0.001769143577  -0.000216449787  0.002993208165
  24  Al  4.088107778144  4.007043086220  0.186186244006  -0.138989851507  0.019302551583  -0.821209681048  -0.000512759714  -0.000913724125  0.003755980972
  25  Al  4.061461519342  6.118969491080  2.046346956783  0.024870010576  -0.042822899868  -0.128835423935  0.002747300600  -0.001600372508  -0.001163388718
  26  Al  5.937521766957  4.203977425205  1.936176715856  0.369865443547  -0.508306037242  0.571704043543  -0.005219873494  0.004342615636  -0.003029258281
  27  Al  5.983267796002  6.023251109523  0.114739248962  0.145918380821  0.120426218865  -0.595516191770  -0.002602604441  -0.003229923822  0.001639856334
  28  Al  4.087523582302  4.124277466473  4.154333795680  -0.005506542617  -0.153366740823  -0.268448393514  -0.000135180006  0.000715409323  0.004391185609
  29  Al  4.004861674653  6.050491866663  6.229330214676  0.246138830320  -0.082201840154  -0.133239213492  -0.001791292544  -0.003686986954  0.002596405683
  30  Al  6.090204653796  4.031822779733  6.159347676233  -0.279865093760  0.257586563111  -0.017402239138  -0.000570268208  0.000804883247  0.002284941184
  31  Al  6.139552780395  5.984797363608  3.994746319816  -0.146698271689  0.327351023320  0.076800583814  -0.001032597049  -0.002900294935  -0.001933988007


MDSTEP:  57
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -73.309670700080  -1.390812313075  3.338080913620
  -1.390812313075  -71.044456052452  -3.425007486688
  3.338080913620  -3.425007486688  -65.689737499080
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.021102298287  7.973571047863  8.014776400412  0.346137033435  0.030370900503  -0.040444777064  -0.001598073236  -0.005147916681  -0.003331810150
  1  Al  0.000720940346  1.905847473844  1.973059618598  0.123328470394  0.145878601667  0.039984360793  0.000962489124  -0.004180918650  -0.001140902672
  2  Al  1.928664288856  7.995256477781  1.892632302411  0.049354534994  0.371952897372  0.451635182838  -0.003913652933  -0.002876125905  -0.003402129771
  3  Al  1.966145817726  2.017601676878  8.035790423626  0.117600543230  0.025485691049  0.029661724980  -0.001859592947  0.002221161752  -0.004827182494
  4  Al  0.046483091694  7.975983722980  4.228898197754  0.007711868665  0.206734152880  -0.646322996086  0.004057512336  -0.002393226503  0.003018417325
  5  Al  8.041027654943  1.961680729864  6.150347062484  0.187332196648  -0.044692898134  -0.297230465092  -0.001523945506  -0.002760154638  0.001880976632
  6  Al  2.019150962709  8.099977161453  6.011973984357  -0.049473137103  0.053765197234  0.291855487325  -0.001165676108  -0.002255062184  -0.005361147055
  7  Al  2.040693681483  1.973300973346  4.086837658182  -0.164217675062  -0.040818288185  0.001990709590  0.003405717194  -0.004610016385  -0.001357236034
  8  Al  8.025030603968  4.141394440071  8.023827776031  0.070131450435  -0.295229175256  0.360255802758  -0.004635144289  0.001014526321  -0.000647835111
  9  Al  0.013441011771  6.078085972365  2.014639080995  -0.134011045246  -0.045257735396  0.140330220739  -0.001052181687  -0.001247899246  0.000899297349
  10  Al  2.106109343736  4.008598936314  2.018042816732  -0.284165040286  0.136024928026  0.172471565441  0.002357382839  0.003105715244  -0.000880240391
  11  Al  2.029887824329  6.069385622430  0.150063138733  -0.098642480965  -0.058052923440  -0.442462864022  0.001412386831  -0.000552940489  0.005106094618
  12  Al  8.068655710079  4.047487103141  4.038037612491  0.229021676283  -0.099227458057  0.062639324575  0.002335238513  0.001153654067  0.002181542184
  13  Al  8.029277845632  6.044699198558  6.067896443283  0.079939011078  0.092468393170  0.121161616208  -0.004018906980  0.000305581924  0.001758259639
  14  Al  1.986466029357  4.004098305592  6.130552456750  0.098618702820  -0.114793758952  -0.112668044541  -0.000296208666  -0.001946325134  0.001231152258
  15  Al  2.109231476163  6.134019560583  3.953112544843  -0.295703722924  0.012378290324  0.181865374992  0.002349671890  0.004282428617  -0.000590262366
  16  Al  4.092473807308  0.121583339859  0.021346434766  -0.010643621163  -0.280456463173  0.079916199714  0.000498412621  0.003155177700  0.003814247658
  17  Al  3.869985016052  1.969387397464  2.028652456948  0.463384526168  0.229569537608  -0.038855605209  -0.003485381231  0.001083297990  0.001313054715
  18  Al  6.141888883234  7.960195639609  1.940677730105  -0.131481728960  0.185265538214  0.299563678976  0.001653487527  -0.004327477567  -0.002387737031
  19  Al  6.101317751886  2.137649993139  7.991426096859  -0.312039926566  -0.248837045841  0.355819070773  -0.002228690685  0.001366188209  -0.004213354160
  20  Al  4.120644780594  0.114550741015  4.035190027245  -0.119416009456  -0.374063196105  -0.018975559536  0.001431875899  0.003704830832  0.001445771328
  21  Al  4.088281056416  2.068019825392  6.055169599567  -0.101704442173  0.100748166249  0.258520720714  0.000014731659  0.005375472327  -0.001193621078
  22  Al  6.087990450140  8.089401954070  6.088390299028  -0.057437714405  0.029673298273  -0.006781819385  -0.000029851453  -0.002660531940  0.001627079308
  23  Al  6.199548350640  2.006084920991  4.046114983599  -0.218643271606  0.028498185604  0.078319698671  0.001834194946  -0.000096422364  0.003343523279
  24  Al  4.087876079164  4.006743443653  0.188115832395  -0.149411610782  0.018606557304  -0.842154464191  -0.000419486111  -0.000558704606  0.003545278509
  25  Al  4.062974215125  6.118214378858  2.045864460275  0.017458849082  -0.037675984564  -0.125635809967  0.003043206350  -0.001746600797  -0.001119186653
  26  Al  5.934896384730  4.206072967564  1.934554601163  0.387650548100  -0.527534077497  0.589619849715  -0.005470584032  0.004069019201  -0.003342472374
  27  Al  5.981890264222  6.021586675051  0.115454436603  0.148604867648  0.132477389308  -0.610627226683  -0.003084866768  -0.003480659678  0.001094275095
  28  Al  4.087532532320  4.124797900491  4.156320737296  -0.010861078693  -0.151285306760  -0.267361900731  0.000033135950  0.001203681122  0.003884414181
  29  Al  4.003901655123  6.048495120286  6.230641664420  0.242251200349  -0.080463374189  -0.132678091049  -0.002101128085  -0.003843002103  0.002934514589
  30  Al  6.089941571784  4.032347008584  6.160579185198  -0.286794957140  0.264046041327  -0.019407554757  -0.000471405680  0.000978876225  0.002675246314
  31  Al  6.139034199102  5.983294549808  3.993650024513  -0.143878016798  0.334443919436  0.085996589512  -0.001152128377  -0.003233808827  -0.002227213641


MDSTEP:  58
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -73.018897744973  -1.468455657472  3.486199221463
  -1.468455657472  -70.710640752768  -3.498017307927
  3.486199221463  -3.498017307927  -65.148661785153
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.020384748916  7.970935986369  8.013092415477  0.348293330452  0.034206701846  -0.032196143543  -0.001336526952  -0.005281795269  -0.003576096974
  1  Al  0.001059891607  1.903776238860  1.972447395352  0.117148586002  0.147127896881  0.042159785598  0.000458882706  -0.004181946036  -0.001280553210
  2  Al  1.926875610908  7.993687026345  1.890880569530  0.047690278513  0.383147908604  0.459809052917  -0.003271305265  -0.002734961431  -0.003102535975
  3  Al  1.965292874774  2.018884455437  8.033540892078  0.122847681876  0.020795665518  0.038414160059  -0.001994171164  0.002567579986  -0.004743770167
  4  Al  0.048483832993  7.974746739910  4.230292239125  -0.002891123812  0.209285002884  -0.659332087306  0.003898015863  -0.002338240751  0.002762996176
  5  Al  8.040306107482  1.960347712664  6.151315053341  0.188367773629  -0.042798417631  -0.302105737506  -0.001297032910  -0.002536365265  0.002139196146
  6  Al  2.018710271533  8.098789165088  6.009349863443  -0.038523318372  0.048888975467  0.304985458412  -0.000660388304  -0.002595663807  -0.005145673713
  7  Al  2.042523615242  1.971044363383  4.086220714133  -0.172648332447  -0.031471570763  0.003822230741  0.003428083789  -0.004569352169  -0.001412982146
  8  Al  8.022709467100  4.141770604988  8.023504955261  0.077709135612  -0.298890431032  0.367503846181  -0.004845957232  0.000351346402  -0.000510725486
  9  Al  0.012801616825  6.077536679070  2.015188526909  -0.133554835429  -0.046154563698  0.141392283564  -0.000919515984  -0.001202626875  0.001304145768
  10  Al  2.107208935199  4.010098450337  2.017445879670  -0.291816951782  0.131921606125  0.182900778463  0.002101261253  0.003323061867  -0.001386909650
  11  Al  2.030688119546  6.069097994182  0.152605995913  -0.099656674911  -0.063094200992  -0.463513503159  0.001673135250  -0.000849272003  0.005102533551
  12  Al  8.069696270494  4.048015605290  4.039180035503  0.232809193786  -0.104286874924  0.057616721286  0.001742604022  0.000682662089  0.002343868826
  13  Al  8.027258222847  6.044694178101  6.068820423959  0.090164693060  0.089564512424  0.117091079602  -0.003645223826  -0.000297131731  0.001555093903
  14  Al  1.986262712732  4.003132639225  6.131335160395  0.103644864457  -0.105843783498  -0.119120957297  -0.000672589210  -0.001937104135  0.001729864232
  15  Al  2.110435316709  6.135999387366  3.952857354920  -0.293293688879  0.005498569155  0.187538544586  0.002512348378  0.003684004576  -0.000560346896
  16  Al  4.092627929987  0.123317785898  0.023396433858  -0.009788000298  -0.287871179621  0.069412802769  0.000316274228  0.003761884121  0.004152880384
  17  Al  3.868395544928  1.970069904292  2.029304330018  0.471687728459  0.228671603511  -0.042413343380  -0.003433755607  0.001144270713  0.001657110793
  18  Al  6.142700258004  7.957978874605  1.939575550006  -0.130197437360  0.196599034763  0.302784571752  0.001476897602  -0.004489606327  -0.001800712591
  19  Al  6.100360092381  2.138323453388  7.989304649254  -0.313206345240  -0.255666717002  0.371032950069  -0.001588625029  0.001213946183  -0.004300743779
  20  Al  4.121425485790  0.116508737140  4.036002562214  -0.113875701308  -0.381508374627  -0.020007292503  0.001714265596  0.004070468067  0.001457774915
  21  Al  4.088377896376  2.070745229953  6.054484469748  -0.105661075418  0.095299846515  0.262372781741  0.000511135238  0.005357310993  -0.001396201477
  22  Al  6.087902488559  8.088182001662  6.089242672382  -0.064835789961  0.028531009527  -0.009110243174  -0.000141667715  -0.002476459463  0.001651808610
  23  Al  6.200621933066  2.005929542617  4.047851018912  -0.217221430876  0.027753693950  0.066163302508  0.001849094651  -0.000364644943  0.003494260461
  24  Al  4.087688292032  4.006484381614  0.189731522516  -0.159306531609  0.017784882718  -0.861114629363  -0.000577565543  -0.000476738369  0.002793526666
  25  Al  4.064504725693  6.117222890283  2.045227770131  0.009193347911  -0.030118163418  -0.121006357904  0.003412227127  -0.002168006915  -0.001506504028
  26  Al  5.932051182924  4.208046444407  1.932834243482  0.405247361305  -0.547755953112  0.608785146158  -0.005701701487  0.004068826134  -0.003634070787
  27  Al  5.980182929234  6.019770449845  0.115833524057  0.150024443248  0.147317982619  -0.622277110450  -0.003020603354  -0.003351035272  0.000571791177
  28  Al  4.087556718252  4.125481147595  4.158218209861  -0.016758547759  -0.149799158181  -0.267141435432  0.000401504927  0.001097870761  0.003901689817
  29  Al  4.002760546568  6.046648864560  6.232264729265  0.237126683651  -0.077277337457  -0.133196773474  -0.001901560035  -0.003956621839  0.002891826541
  30  Al  6.089733248116  4.032801655958  6.162022922547  -0.295808119166  0.268298769047  -0.023240788312  -0.000577578396  0.001196295422  0.003125340339
  31  Al  6.138400652018  5.981563554781  3.992519106175  -0.142911197332  0.341843064401  0.091990906399  -0.001195101981  -0.003191071579  -0.002435069847


MDSTEP:  59
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -72.733726592179  -1.527260158980  3.628450234031
  -1.527260158980  -70.374947270813  -3.568111234544
  3.628450234031  -3.568111234544  -64.622834927345
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.019765771335  7.968289252594  8.011200303438  0.349786975684  0.036532487226  -0.022751022519  -0.001550694058  -0.005373897308  -0.003639024803
  1  Al  0.001179823052  1.901665527809  1.971779065388  0.111265550470  0.149188477768  0.042721053738  0.000227194520  -0.004192672483  -0.001628151634
  2  Al  1.925392983591  7.992521516350  1.889529766436  0.045118443482  0.392689279056  0.464215803384  -0.003306558858  -0.002107197671  -0.002539003528
  3  Al  1.964151646563  2.020169256864  8.031046653459  0.128575885476  0.018854094978  0.050619666925  -0.002592044072  0.002728807508  -0.004671284352
  4  Al  0.050381107557  7.973645482230  4.231661193931  -0.017498057464  0.211722211713  -0.671406654504  0.003585227962  -0.002450569738  0.002770114961
  5  Al  8.039730622033  1.959144364599  6.152486258630  0.186447288277  -0.039953372759  -0.306781338469  -0.001209932678  -0.002685031199  0.002286890254
  6  Al  2.018490574405  8.097381497646  6.006828310644  -0.029166475507  0.045384829344  0.318971522097  -0.000275768190  -0.003101507634  -0.004881772350
  7  Al  2.044121765272  1.968731621177  4.085424676036  -0.181725742232  -0.023582781665  0.005161924921  0.003105327454  -0.004933108212  -0.001379333677
  8  Al  8.020184646736  4.141745786472  8.023317050544  0.087636070003  -0.300546337704  0.374567651057  -0.005029084507  -0.000169086501  -0.000240945387
  9  Al  0.012521495787  6.076883345490  2.015943226762  -0.135380110782  -0.046916178545  0.138411189525  -0.000700072787  -0.000946341074  0.001464390315
  10  Al  2.108210604989  4.011921998181  2.016655907082  -0.300839736334  0.124684158768  0.187859186331  0.002015515891  0.003275411356  -0.001342867127
  11  Al  2.031560959579  6.068536350426  0.155165672283  -0.103534064689  -0.068735419840  -0.483258078177  0.001532712563  -0.001137444438  0.004884858891
  12  Al  8.070398314101  4.048169765230  4.040381481316  0.233994117023  -0.109473202339  0.052880085025  0.001293391390  0.000295582111  0.002034588354
  13  Al  8.025632621807  6.044402066828  6.069451537185  0.096539565711  0.086610810515  0.115999803334  -0.002870932551  -0.000535079182  0.001448019663
  14  Al  1.985793440147  4.002161201457  6.132282320981  0.106692015235  -0.097614085498  -0.120199897572  -0.000653589340  -0.001719809411  0.002150226234
  15  Al  2.111743824541  6.137703565160  3.952552197947  -0.291968242348  0.000607145050  0.192101779197  0.002582088743  0.003159678402  -0.000228379735
  16  Al  4.092790081536  0.125345223980  0.025499315150  -0.008727982322  -0.294405211277  0.059400488620  0.000682162150  0.004313012215  0.003875063041
  17  Al  3.866551260445  1.970531668177  2.030309567741  0.480328842313  0.229332804356  -0.049460172538  -0.003531705504  0.000813014234  0.001724760509
  18  Al  6.143365780837  7.955706033282  1.938877017515  -0.126785779537  0.208200576222  0.306581454439  0.001240472931  -0.004270882745  -0.001354358202
  19  Al  6.099729126857  2.138863939322  7.987125353080  -0.314277175499  -0.261054586425  0.386012968723  -0.001629184747  0.000782775210  -0.004308372964
  20  Al  4.122359046191  0.118621209082  4.036647802161  -0.104145214041  -0.388879167396  -0.020509030072  0.001825554410  0.004321070979  0.001283898790
  21  Al  4.088792191655  2.073377136385  6.053773398090  -0.108464913018  0.089178684888  0.267376574197  0.000631831311  0.005574883585  -0.001030669827
  22  Al  6.087848782424  8.086925494607  6.090042107638  -0.070689381674  0.026477677602  -0.013627668310  -0.000089425383  -0.002665642148  0.001576324834
  23  Al  6.201397445292  2.005720276048  4.049609244061  -0.213964359065  0.024213829442  0.054846263246  0.001559277396  -0.000598836192  0.003156534371
  24  Al  4.087298513621  4.006266705284  0.190909359061  -0.169586205448  0.014418030804  -0.878449685673  -0.000946332729  -0.000718105614  0.002512586618
  25  Al  4.066386442252  6.116046371943  2.044357956247  -0.000332621876  -0.020586581511  -0.116875533682  0.003492812687  -0.002252687517  -0.002098226417
  26  Al  5.929194683243  4.210141793698  1.930920530376  0.425265825839  -0.569151741199  0.625608301098  -0.005908863732  0.004197165405  -0.003432095126
  27  Al  5.978869660869  6.018235639779  0.116026227780  0.154123931571  0.160909792482  -0.634505688913  -0.002804671220  -0.003238488352  0.000148239818
  28  Al  4.087934037247  4.125895771252  4.160222427112  -0.020557922260  -0.148429071596  -0.267618757959  0.000645123518  0.000913030311  0.003647026497
  29  Al  4.002000095088  6.044538498447  6.233533490961  0.233696887012  -0.071911756969  -0.131690125217  -0.001215613063  -0.004077942766  0.002298551335
  30  Al  6.089363993387  4.033543304007  6.163704525536  -0.301119794826  0.271094674899  -0.026600958471  -0.000863409788  0.001232926488  0.003653900911
  31  Al  6.137839097121  5.980103478229  3.991214954667  -0.140707619173  0.351139929611  0.100398896220  -0.000857658424  -0.002951885914  -0.002319362742


MDSTEP:  60
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -72.462614822263  -1.585211614081  3.762318609264
  -1.585211614081  -70.045286004693  -3.645906104580
  3.762318609264  -3.645906104580  -64.107569880354
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.018834054858  7.965562089062  8.009453390674  0.353324731198  0.038957118429  -0.014136577067  -0.001562037510  -0.005105145341  -0.003750640401
  1  Al  0.001287086128  1.899583566377  1.970819243718  0.106375050019  0.151879378643  0.044534812267  0.000097738478  -0.004148344841  -0.001991261185
  2  Al  1.923569052050  7.991579828674  1.888341566002  0.045900545464  0.398732554545  0.467988346136  -0.003725598901  -0.001640261201  -0.002321713987
  3  Al  1.962700830702  2.021613262944  8.028869607726  0.135333593617  0.014960216050  0.060009793528  -0.003100261962  0.003193570048  -0.004607947892
  4  Al  0.052069060955  7.972296170172  4.233062354085  -0.028272210668  0.213339138197  -0.682141678740  0.003146797598  -0.002982229114  0.002897019263
  5  Al  8.039096174804  1.957662681465  6.153601943595  0.186656616642  -0.035840986443  -0.311511425314  -0.001507683320  -0.003100586646  0.002535839349
  6  Al  2.018434503343  8.095687657454  6.004468091093  -0.019494569105  0.042164230739  0.331981195736  -0.000181277578  -0.003247325828  -0.004594867351
  7  Al  2.045628942695  1.966111255172  4.084841380456  -0.189391525608  -0.013423085602  0.007837883773  0.002969340510  -0.005191671788  -0.001332035344
  8  Al  8.017680382593  4.141601518488  8.023264009874  0.097678456529  -0.301677733267  0.381013006992  -0.004829892622  -0.000019296294  -0.000138272109
  9  Al  0.012101544038  6.076590337996  2.016652917224  -0.135182993146  -0.049839767468  0.136249917315  -0.000765422710  -0.000392741980  0.001652339143
  10  Al  2.109224451090  4.013373861693  2.016103012543  -0.308902590668  0.121274907975  0.195366228454  0.001966844598  0.002982956978  -0.000908875877
  11  Al  2.032220832109  6.067960549744  0.157490854805  -0.105241327908  -0.073112928918  -0.501167916356  0.001380007337  -0.000822314622  0.004365025145
  12  Al  8.070989661883  4.048311187401  4.041214623858  0.237592143960  -0.114053526571  0.050163248546  0.001561477890  0.000128837010  0.002015588240
  13  Al  8.024387290296  6.044159098919  6.070268443622  0.103288911373  0.082291528270  0.113260559001  -0.002476936636  -0.000471400091  0.001935196587
  14  Al  1.985609123392  4.001412829814  6.133485386629  0.110360255174  -0.089434069692  -0.125098240878  -0.000273493642  -0.001329824640  0.002738557002
  15  Al  2.113017405451  6.139159065768  3.952628975185  -0.288544164823  -0.005098861025  0.195333054034  0.002389371300  0.003173983520  0.000004673167
  16  Al  4.093310092137  0.127630798113  0.027271496899  -0.010544909350  -0.303839030371  0.050212408972  0.000885711307  0.004358786139  0.003857584341
  17  Al  3.864863839423  1.970882918526  2.031029090528  0.486965676248  0.229421613023  -0.054122659913  -0.003017926684  0.000916527005  0.001405138929
  18  Al  6.143940730935  7.953707991860  1.938221191804  -0.125856410832  0.216301229106  0.308971508073  0.000885044976  -0.003987259109  -0.001376960632
  19  Al  6.098730907633  2.139106228597  7.984996276291  -0.314644308316  -0.265988945769  0.400062743132  -0.001956839768  0.000137865943  -0.004478171391
  20  Al  4.123251040200  0.120829808119  4.037286461004  -0.097216236756  -0.398296027663  -0.020658316896  0.001679613783  0.004388283913  0.001447300234
  21  Al  4.089009727687  2.076320113538  6.053453799921  -0.113119816466  0.082344078151  0.269658694873  0.000137556120  0.005596551570  -0.000475995288
  22  Al  6.087813063177  8.085516359514  6.090818997216  -0.077939444719  0.024557854033  -0.017591336476  -0.000208177632  -0.003078245787  0.001910321752
  23  Al  6.202181210462  2.005330706425  4.051007553284  -0.211801664673  0.022678661208  0.045710026775  0.001391396021  -0.000685056209  0.002784972012
  24  Al  4.086741959303  4.005766276000  0.192244109133  -0.179767102426  0.013850324750  -0.896559492790  -0.001345931703  -0.001195408784  0.002369298180
  25  Al  4.067997538380  6.114970202766  2.043129543714  -0.011186486943  -0.010750217505  -0.110289157196  0.002966020550  -0.002090206338  -0.002755493433
  26  Al  5.926142319192  4.212243609812  1.929402148355  0.443834173204  -0.588163348989  0.642132843138  -0.006066779682  0.004406580166  -0.003055226948
  27  Al  5.977378258014  6.016531961493  0.115981763875  0.157294304488  0.175720533451  -0.644438324820  -0.003032012827  -0.003173939427  -0.000412502927
  28  Al  4.088201841769  4.126394177906  4.161865236359  -0.026719997126  -0.145822243870  -0.266534331551  0.000802869391  0.001303992838  0.003320844310
  29  Al  4.001544933505  6.042570921794  6.234563280600  0.227351753019  -0.067614927201  -0.131168733968  -0.001084991799  -0.003910959978  0.002164909556
  30  Al  6.088869838328  4.034034582446  6.165676823458  -0.306950342545  0.275333479832  -0.032542218005  -0.001115045767  0.001298440939  0.003705714211
  31  Al  6.137542993594  5.978611668867  3.990199743433  -0.141180108857  0.359148853949  0.107474139224  -0.000900270681  -0.003298021680  -0.002121862938


MDSTEP:  61
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -72.215550332808  -1.649228810780  3.899897935327
  -1.649228810780  -69.718176273724  -3.716709021505
  3.899897935327  -3.716709021505  -63.583410878809
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.018203733825  7.963184107253  8.007449663037  0.353131540180  0.040920184102  -0.004153023226  -0.001012891459  -0.004847699688  -0.004002869198
  1  Al  0.001277561530  1.897517182968  1.969787804203  0.101323061637  0.154626064112  0.045662643623  0.000193482921  -0.003994432226  -0.002347785643
  2  Al  1.921667384690  7.990881255149  1.887208052448  0.047798200159  0.405559617236  0.471442352785  -0.003950799221  -0.001099991662  -0.002341258122
  3  Al  1.961051384601  2.023362826912  8.026438705566  0.145149532506  0.012917836182  0.071267144608  -0.003274495291  0.003125256199  -0.004534122262
  4  Al  0.053527905155  7.970663253115  4.234558213194  -0.041484474088  0.216508013840  -0.691783032667  0.002965607916  -0.003247550725  0.003116080829
  5  Al  8.038222938713  1.956043777953  6.155022097979  0.186253903873  -0.031284266887  -0.317799801859  -0.001373541982  -0.002947616192  0.002827150155
  6  Al  2.018309296826  8.094134171819  6.002233443293  -0.008413217985  0.039600088969  0.344333669268  -0.000541156840  -0.002911153641  -0.004433895110
  7  Al  2.047091105782  1.963539949390  4.084092640692  -0.194927902323  -0.002202521129  0.011272413102  0.003048899454  -0.004767515014  -0.001123768093
  8  Al  8.015354754114  4.141726490178  8.023178778436  0.107786251288  -0.305368131646  0.387131003868  -0.004706771941  0.000094355136  0.000154014017
  9  Al  0.011756073077  6.076490603510  2.017595565905  -0.135201315640  -0.052514091277  0.132843792081  -0.000631847620  -0.000256225272  0.002187716838
  10  Al  2.110177449587  4.014904955159  2.015747031205  -0.314424435273  0.116040337965  0.200486540155  0.002197266666  0.002841685512  -0.000882066989
  11  Al  2.032940966917  6.067714035805  0.159530697429  -0.106315798710  -0.080005417381  -0.517796025442  0.001365009586  -0.000137517736  0.004297639229
  12  Al  8.071959791991  4.048298602240  4.042397069556  0.239753004801  -0.118001903326  0.047190853655  0.001966518494  -0.000218533801  0.002523458507
  13  Al  8.023155685170  6.043930666737  6.071386733772  0.108071369554  0.078266279577  0.109015614922  -0.002182036446  -0.000263213776  0.002416168288
  14  Al  1.985519946505  4.000831376817  6.135020877983  0.116922780734  -0.082636277993  -0.129863792108  0.000016805689  -0.001286276306  0.002835258417
  15  Al  2.114133195841  6.140877548680  3.952556871114  -0.282932895780  -0.012018972229  0.199566759593  0.002207726690  0.003272072987  -0.000429990212
  16  Al  4.093675792842  0.129704010118  0.029356899491  -0.011023224271  -0.309695075625  0.039739521676  0.000396427579  0.004032511293  0.004398285337
  17  Al  3.863533333761  1.971448195182  2.031714706670  0.492265507830  0.229929221100  -0.059735139837  -0.002579375436  0.000864200122  0.001581014558
  18  Al  6.144250825812  7.951718774173  1.937500056883  -0.124658276230  0.225911801349  0.311594614216  0.000623100210  -0.003935626880  -0.001684645458
  19  Al  6.097772287090  2.139001805264  7.982647181689  -0.317938016913  -0.270033279765  0.413713596552  -0.002002290375  -0.000533879933  -0.004595831605
  20  Al  4.124038659973  0.123009492995  4.038095102394  -0.087967384790  -0.406263151661  -0.020112894839  0.001420873713  0.003955842348  0.001806098010
  21  Al  4.088929747775  2.078973687955  6.053297402803  -0.116557238384  0.078065128204  0.271823113917  -0.000127409877  0.005256010185  -0.000100415497
  22  Al  6.087640604792  8.083847248820  6.091952429391  -0.086100665907  0.024040324313  -0.023941875354  -0.000396459419  -0.002964053954  0.001884580398
  23  Al  6.202788841313  2.005035219839  4.052394216073  -0.210961233455  0.019240074133  0.038083443056  0.000938545279  -0.000344158043  0.002950806831
  24  Al  4.085952581918  4.005071296500  0.193278657241  -0.190003390156  0.011853632768  -0.913957768517  -0.001286219349  -0.001328377578  0.001670806422
  25  Al  4.069352462802  6.113956165605  2.041602462814  -0.021503147502  -0.001483021060  -0.103229586979  0.002414862224  -0.002324279973  -0.003128607132
  26  Al  5.923127903561  4.214548373864  1.927865303428  0.459291019398  -0.608439935946  0.656603268178  -0.006169102889  0.004267924747  -0.002773219942
  27  Al  5.975837648042  6.015061700352  0.115613724853  0.159570165571  0.190128819301  -0.654445931741  -0.003390626139  -0.002776278092  -0.000473375799
  28  Al  4.088736906639  4.127199764090  4.163543271423  -0.034839043784  -0.145813402214  -0.263757310739  0.001316948642  0.001367397682  0.003263575703
  29  Al  4.000915103289  6.040627538469  6.235698400518  0.222814528799  -0.064382668143  -0.131948522565  -0.000883218657  -0.003789600679  0.002265404630
  30  Al  6.088248947621  4.034841744946  6.167410239748  -0.314372380848  0.276974899898  -0.036873081683  -0.001243955379  0.001948260392  0.003491486340
  31  Al  6.136938826441  5.976805456549  3.989093091728  -0.140506824292  0.369559793236  0.117627442301  -0.001368815504  -0.003574291367  -0.002550401779


MDSTEP:  62
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -71.956370713263  -1.716935643035  4.039361855710
  -1.716935643035  -69.422891710502  -3.754542435888
  4.039361855710  -3.754542435888  -63.057525043401
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.017821163400  7.960714389373  8.005450521476  0.352869258061  0.043604468622  0.005676359510  -0.001069599748  -0.004596994325  -0.003608754626
  1  Al  0.001480569049  1.895589134152  1.968471458075  0.093112089403  0.156921989091  0.047984580441  0.000076052189  -0.004133105892  -0.002376452350
  2  Al  1.919618252829  7.990479837012  1.886000307879  0.046901855103  0.410513707672  0.473478482488  -0.003849509914  -0.000398428935  -0.002441107653
  3  Al  1.959426335411  2.024738519143  8.024335485463  0.150632079442  0.007544935746  0.081136989646  -0.002930165962  0.002450097396  -0.004192009281
  4  Al  0.055034668872  7.969048619447  4.236178434914  -0.054880138660  0.219272586478  -0.701376127910  0.002830898411  -0.003320815740  0.003255905389
  5  Al  8.037722632822  1.954715065273  6.156429093750  0.183913428122  -0.028232407917  -0.323426244003  -0.001287803705  -0.002740654317  0.002625535222
  6  Al  2.017893346503  8.092776503813  6.000034195983  0.000838331470  0.035613678662  0.359045512623  -0.001191157231  -0.002909666659  -0.004340176061
  7  Al  2.048677842150  1.961343740158  4.083717612363  -0.204603130325  0.007487579686  0.013786768180  0.003096071780  -0.004603037313  -0.001029741445
  8  Al  8.012973610652  4.141695873624  8.023418023892  0.116273781048  -0.307081297854  0.392441600458  -0.004380627647  0.000070474851  0.000171377340
  9  Al  0.011469696417  6.076334112724  2.018840634062  -0.136293250845  -0.054891243744  0.128263131816  -0.000561719846  -0.000683814095  0.002508763091
  10  Al  2.111421717756  4.016215547206  2.015220945555  -0.324671799705  0.112533475443  0.208066349224  0.002481124935  0.002283200707  -0.001067235762
  11  Al  2.033585841695  6.067823032008  0.161788494033  -0.110385448614  -0.083769591297  -0.536300106758  0.001304135577  -0.000089398126  0.004468209814
  12  Al  8.072956180378  4.048092653600  4.043738082365  0.239975480287  -0.121063530908  0.043222282363  0.001901373155  -0.000123019743  0.002686929296
  13  Al  8.022205253850  6.043895885143  6.072684611910  0.112058390950  0.074201746368  0.105068870974  -0.001691875179  0.000152891603  0.002690798861
  14  Al  1.985625929080  4.000126553508  6.136320645047  0.117987443012  -0.073933714195  -0.134423794589  0.000024680485  -0.001728772928  0.002918232976
  15  Al  2.115225132142  6.142431138755  3.952198984973  -0.280825279572  -0.017841986054  0.204148609559  0.002417824691  0.002834230733  -0.000816604073
  16  Al  4.093706519716  0.131663309407  0.031669782236  -0.011847035041  -0.317669048308  0.027925809497  -0.000187791075  0.003623679883  0.004643763829
  17  Al  3.862284463987  1.971747118648  2.032610105086  0.498102919280  0.229068169269  -0.065508415004  -0.002311988395  0.000697550867  0.001953749913
  18  Al  6.144563831146  7.949772364980  1.936536546346  -0.119961760802  0.235151759842  0.313434066245  0.000828604109  -0.003795047381  -0.001925130252
  19  Al  6.096728617259  2.138572348664  7.980400444686  -0.315202013242  -0.274855442339  0.426478898703  -0.001856055745  -0.001173934948  -0.004463751813
  20  Al  4.124671913913  0.124785650467  4.039092559014  -0.079996078643  -0.414407132477  -0.019869686097  0.001149277452  0.003609201115  0.001989735554
  21  Al  4.088882317810  2.081576123723  6.053353384424  -0.119548327736  0.070622470154  0.273550474571  0.000124637417  0.004955176192  0.000216003402
  22  Al  6.087416603758  8.082552305560  6.092703577614  -0.090074466361  0.022532279625  -0.025923098704  -0.000573347830  -0.002535417497  0.001497870085
  23  Al  6.203119755740  2.004986548382  4.053958360115  -0.204545991433  0.017198338846  0.029523799026  0.000907533209  -0.000238731425  0.002963778895
  24  Al  4.085455739954  4.004437898421  0.193914915555  -0.198689195473  0.010675495605  -0.929392649903  -0.001012933306  -0.001227310198  0.001084378110
  25  Al  4.070412400604  6.112645922792  2.040000936582  -0.030781936275  0.009698005304  -0.095248597991  0.002071399952  -0.002676724752  -0.003177676541
  26  Al  5.919973216304  4.216511534559  1.926628928413  0.480453408743  -0.626557181701  0.671208762007  -0.006020278061  0.003904972212  -0.002257048022
  27  Al  5.973987631875  6.013755683401  0.115508388076  0.167279211576  0.204872140488  -0.664153916004  -0.003785732693  -0.002770012881  -0.000415830928
  28  Al  4.089518790412  4.127761575587  4.165128812062  -0.042019330661  -0.143436176509  -0.262129753770  0.001238417342  0.000759892033  0.003414623491
  29  Al  4.000661714848  6.038781321114  6.236828685230  0.215844630327  -0.058670791247  -0.131785710918  -0.000462103401  -0.003403098191  0.002597955599
  30  Al  6.087625882949  4.035982842838  6.169168309798  -0.316522865859  0.277292690505  -0.041694523852  -0.000903841278  0.002095564573  0.003594614778
  31  Al  6.136174178089  5.975037377500  3.987649341653  -0.135394257574  0.377604027147  0.126791278171  -0.001535209993  -0.003827402373  -0.002619546169


MDSTEP:  63
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -71.708048899708  -1.788182703657  4.168536762890
  -1.788182703657  -69.136037720562  -3.802467643382
  4.168536762890  -3.802467643382  -62.526203214793
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.017134134077  7.958587112928  8.003840908411  0.355612804812  0.045170921273  0.014906249344  -0.001629090862  -0.004319074477  -0.003292493915
  1  Al  0.001353613719  1.893384077076  1.967411351853  0.089248672138  0.160651401700  0.050265788912  -0.000160570575  -0.004568617473  -0.001966843750
  2  Al  1.917817874776  7.990482826214  1.884766944795  0.048506606930  0.412860330895  0.475342054906  -0.003273448086  0.000213869967  -0.002613808974
  3  Al  1.958121218639  2.025812924308  8.022246696286  0.159066654510  0.004118602911  0.091342827128  -0.002749066225  0.001901938947  -0.004048261527
  4  Al  0.056358803566  7.967342437376  4.237814118582  -0.066443900027  0.222218728854  -0.711737646650  0.002853242706  -0.003024951089  0.002973557635
  5  Al  8.036935135008  1.953303123637  6.157647633200  0.185558779585  -0.024284403664  -0.329797430895  -0.001555427629  -0.002952988166  0.002360614426
  6  Al  2.017118139595  8.091224505160  5.997893267232  0.014083958963  0.032547902058  0.372657055463  -0.001320751136  -0.003168012554  -0.004234834952
  7  Al  2.050187177562  1.958936912077  4.083062899246  -0.210837543821  0.018484844329  0.017668307555  0.003115828915  -0.004475153925  -0.001405265282
  8  Al  8.010974126467  4.141796965030  8.023350155776  0.126377716533  -0.309737378815  0.399486504304  -0.003848487885  0.000478234184  -0.000030936283
  9  Al  0.011194353231  6.075806789414  2.020104328997  -0.134583236773  -0.056179732507  0.124070881528  -0.000713377356  -0.001123482029  0.002623952812
  10  Al  2.112658574522  4.017188155866  2.014679795443  -0.331347745290  0.108956188227  0.214781118193  0.002148108199  0.001954834759  -0.001421795176
  11  Al  2.034245102493  6.067624637678  0.163998907243  -0.111225553482  -0.087189809466  -0.552396651341  0.001300057640  -0.000681287913  0.004162697856
  12  Al  8.073861165145  4.048175582497  4.045083998853  0.242761997546  -0.125516811517  0.039833967287  0.001586585302  -0.000192296491  0.003038689584
  13  Al  8.021463809991  6.044083558341  6.074077532633  0.116789817635  0.068862551558  0.100343108185  -0.001530597986  0.000239800927  0.002528758780
  14  Al  1.985544626990  3.999102603889  6.137939110960  0.123385277577  -0.066033779294  -0.139952160642  -0.000488446458  -0.002331616589  0.002934213346
  15  Al  2.116551020532  6.143711779412  3.951740267041  -0.277413718956  -0.023021719492  0.208440989180  0.002430590598  0.002625850684  -0.000936906535
  16  Al  4.093488001768  0.133327690001  0.034000663320  -0.013291795526  -0.324646154036  0.017614157449  -0.000281577955  0.003210796492  0.004887273907
  17  Al  3.861221345366  1.972145746049  2.033668456583  0.502665441270  0.228455385632  -0.071782681548  -0.002296292273  0.000500111510  0.002287346264
  18  Al  6.145079429921  7.947923726792  1.935574926631  -0.120336067937  0.242653238752  0.316172820430  0.001058076920  -0.003479106993  -0.001765344096
  19  Al  6.095916231345  2.137827870316  7.978183429876  -0.318213064844  -0.277693375022  0.439737327643  -0.001906278387  -0.001854143471  -0.004694003147
  20  Al  4.125187937425  0.126618694110  4.040084837948  -0.072974771436  -0.422797958667  -0.019811662678  0.001229671718  0.003350921706  0.002033394148
  21  Al  4.089054385192  2.083928864147  6.053513406205  -0.124952961179  0.065630508765  0.274765515495  0.000548827648  0.004799238767  0.000497232088
  22  Al  6.087067256962  8.081311831324  6.093450299476  -0.097473196013  0.020401032932  -0.029538072927  -0.001045353637  -0.002218955849  0.001663840020
  23  Al  6.203696374522  2.004796488414  4.055357994968  -0.202558911838  0.015912613120  0.021628395788  0.000772294744  -0.000566981525  0.002455502943
  24  Al  4.084939648612  4.003843986302  0.194363035351  -0.208937175769  0.008417244371  -0.943674216711  -0.001282509500  -0.001336620063  0.000560020320
  25  Al  4.071423862754  6.111279440854  2.038424786273  -0.040928434916  0.020311156868  -0.087675453149  0.001870702786  -0.002683714232  -0.002939934438
  26  Al  5.917107625500  4.218453346077  1.925608255406  0.495907648324  -0.645164528379  0.684634592147  -0.005466948980  0.003622374561  -0.002210171580
  27  Al  5.972051915348  6.012291687470  0.115197893925  0.171188570569  0.219433243427  -0.671764069925  -0.003770666141  -0.002931128813  -0.000859374308
  28  Al  4.089975323980  4.127959656123  4.166957894914  -0.049605465319  -0.141888936921  -0.260772882432  0.000785433651  0.000014511551  0.003985499396
  29  Al  4.000452999889  6.037224440278  6.238296356117  0.207910507179  -0.055002591800  -0.132644397163  -0.000767758838  -0.003358893226  0.002557555035
  30  Al  6.087345106342  4.036937309519  6.171004854526  -0.323926140624  0.277228993584  -0.047813935511  -0.000907780030  0.002250081594  0.003412543627
  31  Al  6.135403616448  5.972978054176  3.986473545559  -0.134014769819  0.386842290323  0.135669600635  -0.001432560916  -0.003892360078  -0.002081810136


MDSTEP:  64
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -71.480218018808  -1.845563107628  4.285344090056
  -1.845563107628  -68.882174915932  -3.843750718348
  4.285344090056  -3.843750718348  -62.020049232054
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.016192072537  7.956395314896  8.002158027561  0.356169326271  0.045933316939  0.024057533250  -0.001948181880  -0.004155518068  -0.003225505970
  1  Al  0.001319998474  1.891020516678  1.966504614325  0.082074280866  0.165747850824  0.052988786294  -0.000356756634  -0.004471298677  -0.001496195916
  2  Al  1.916344804743  7.990693706978  1.883386498905  0.048769091940  0.410773981833  0.476898619189  -0.003183569923  0.000809318673  -0.002928848937
  3  Al  1.956677269186  2.026640458090  8.020287223936  0.166762615145  0.001585220356  0.100849784363  -0.002990062535  0.001489045903  -0.003708577889
  4  Al  0.057887911578  7.966023668358  4.239151992549  -0.081294731657  0.223325432446  -0.720560476283  0.002736205293  -0.002943413499  0.002967937855
  5  Al  8.036167205194  1.951762077107  6.158789708176  0.183921582853  -0.018649433377  -0.335953686164  -0.001679044790  -0.002968889337  0.002202904172
  6  Al  2.016572595367  8.089608491258  5.995799361031  0.025257575965  0.028803302537  0.386336659183  -0.001059734469  -0.002860082450  -0.004166726901
  7  Al  2.051793671065  1.956868586232  4.082312347081  -0.218492114133  0.029426884481  0.021853010363  0.003197583823  -0.003758747412  -0.001409436940
  8  Al  8.009125122766  4.142174107807  8.023387087609  0.132101882956  -0.312255376214  0.404706973755  -0.003626381304  0.000384730002  0.000145408736
  9  Al  0.010756319061  6.075210630695  2.021464586873  -0.134783525001  -0.057869190475  0.118460931800  -0.000707933976  -0.001044177286  0.002551964111
  10  Al  2.113569825955  4.018170381965  2.013799150379  -0.337316387708  0.105903091316  0.222005916891  0.001832550232  0.001633745754  -0.002068505459
  11  Al  2.034885899336  6.067141744095  0.165951191890  -0.113259231928  -0.089661219341  -0.566199036207  0.001063269163  -0.001224142225  0.004088311660
  12  Al  8.074542765680  4.047900357109  4.046776771949  0.243458800642  -0.128645365831  0.035316113274  0.001107450277  -0.000698504973  0.003606218574
  13  Al  8.020674655864  6.044135686070  6.075213370690  0.119273962660  0.063910374116  0.096407338881  -0.001682466368  0.000211013667  0.001973108140
  14  Al  1.985137482622  3.997794936920  6.139254858392  0.126695769728  -0.057198824013  -0.144565241160  -0.001112230432  -0.002432873642  0.002342939913
  15  Al  2.117655722740  6.145056989439  3.951262078438  -0.273701737825  -0.029013974615  0.211605822154  0.001858152081  0.002309181193  -0.000723307684
  16  Al  4.093424941760  0.134874105899  0.036557056143  -0.012383815178  -0.332846422251  0.006502560393  -0.000109740931  0.003078442185  0.005278000314
  17  Al  3.859988171714  1.972247230159  2.034897451349  0.509930695662  0.230439897844  -0.079020186294  -0.002053581148  -0.000098803068  0.002611039611
  18  Al  6.145621908066  7.946293257987  1.934771202250  -0.120516723121  0.248019424580  0.317506622875  0.001133429432  -0.003130108348  -0.001364107826
  19  Al  6.094822338872  2.136718205193  7.975706441539  -0.318480744360  -0.278275156627  0.453043632194  -0.002477295237  -0.002337338981  -0.004906817334
  20  Al  4.125901585630  0.128136572174  4.041125953163  -0.064999273527  -0.431787208159  -0.020027050234  0.001349215563  0.003299446990  0.002093947889
  21  Al  4.089431145458  2.086375362490  6.053850616511  -0.128112648905  0.059381500900  0.275711814734  0.000709680500  0.004617137040  0.000836830793
  22  Al  6.086371250121  8.080333349711  6.094367417634  -0.102793767666  0.016563542902  -0.032983053834  -0.001541362731  -0.002100717617  0.001451561494
  23  Al  6.203892050484  2.004419566857  4.056413863057  -0.199101490541  0.016158456917  0.014210782925  0.000086535909  -0.000653978807  0.002205842073
  24  Al  4.084173230453  4.003101278358  0.194474935875  -0.214706851707  0.007747492374  -0.953878511240  -0.001752871663  -0.001323602126  0.000042914118
  25  Al  4.072283103390  6.109962208561  2.037061002144  -0.048107095847  0.029445090059  -0.081477552933  0.001606992961  -0.002408319232  -0.002808516079
  26  Al  5.914506267323  4.220133909120  1.924418756833  0.510035577547  -0.660931277411  0.696651692163  -0.005392714072  0.003140046750  -0.001988909673
  27  Al  5.970216965734  6.010824554588  0.114649013769  0.175106198038  0.232827804829  -0.677568161902  -0.003334923030  -0.003061502917  -0.000785907723
  28  Al  4.090304224063  4.127776087138  4.169114311458  -0.054783541144  -0.138369275430  -0.262124679662  0.000750607086  -0.000103340304  0.004354741701
  29  Al  3.999893956010  6.035422427889  6.239386240265  0.203321068487  -0.050053648402  -0.132037126298  -0.001158791378  -0.003960507769  0.002512127353
  30  Al  6.086718102918  4.038232924432  6.172580853425  -0.327494764665  0.275650787873  -0.051223443717  -0.000987214568  0.002540138003  0.003431808326
  31  Al  6.134741617173  5.971145017422  3.985567531517  -0.132549983846  0.393912919019  0.142503611249  -0.001387892548  -0.003331542342  -0.002119164867


MDSTEP:  65
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -71.248148594055  -1.896562906717  4.395827922048
  -1.896562906717  -68.633244385478  -3.887483282271
  4.395827922048  -3.887483282271  -61.522932767566
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.015185952197  7.954431594860  8.000615402441  0.357392825651  0.048128943119  0.031901044500  -0.002260142264  -0.004142017516  -0.003178545505
  1  Al  0.000996857085  1.888912778398  1.965915155938  0.078482492710  0.167725285733  0.054954991133  -0.000924120335  -0.004330598545  -0.000812648988
  2  Al  1.914634304853  7.991292144887  1.881838095858  0.048632428842  0.411029543281  0.479252268919  -0.003211855012  0.001240321581  -0.002901706105
  3  Al  1.955131156104  2.027301970211  8.018538118397  0.174321972302  -0.001517393348  0.109802248773  -0.003340363758  0.001602745874  -0.003496175143
  4  Al  0.059095008860  7.964399023877  4.240782056437  -0.093960733030  0.228097962661  -0.730436743167  0.002399622134  -0.003560169603  0.003380451507
  5  Al  8.035256090218  1.950334234299  6.159850537372  0.183278202284  -0.015138515085  -0.341424335965  -0.001847306148  -0.002516923930  0.001747345604
  6  Al  2.016058405126  8.088364422710  5.993726540331  0.035316580205  0.027057186508  0.398440866692  -0.001076098868  -0.002418830533  -0.003775759009
  7  Al  2.053384761385  1.955178164665  4.081653462306  -0.225601454926  0.037708872649  0.025337697555  0.002804606922  -0.002998208428  -0.000993026852
  8  Al  8.007347745164  4.142181695032  8.023495564512  0.140158274705  -0.315902430605  0.408444216733  -0.003883266841  0.000266633338  0.000133110503
  9  Al  0.010486419255  6.074762612128  2.022656293108  -0.133963503495  -0.056436942739  0.114370202092  -0.000235359283  -0.001047873451  0.002171048959
  10  Al  2.114491124754  4.018821901620  2.012611289984  -0.344620315175  0.099125571918  0.230273657726  0.002159739906  0.001236584514  -0.002420061110
  11  Al  2.035308371657  6.066400495454  0.168087218903  -0.117110811316  -0.089528378230  -0.580805284223  0.000703457780  -0.001467591999  0.004343154247
  12  Al  8.074968615423  4.047477077524  4.048690217427  0.245228927701  -0.133609305434  0.031815968262  0.000725648851  -0.001023465492  0.003595286112
  13  Al  8.019781343623  6.044294572007  6.076050640774  0.122098386763  0.060024825277  0.094545155518  -0.001401336952  0.000245554844  0.001373394254
  14  Al  1.984432396558  3.996669730248  6.140282050872  0.130164563271  -0.052820413969  -0.147545453199  -0.001423700285  -0.001941595993  0.001754561392
  15  Al  2.118409172613  6.146020960606  3.951016959357  -0.270898973335  -0.030863441606  0.214005459843  0.001272473149  0.001794875383  -0.000791562769
  16  Al  4.093378260837  0.136406132186  0.039278663634  -0.012997330227  -0.337378123757  -0.005016114376  -0.000257529144  0.003214268491  0.005519472899
  17  Al  3.859167764218  1.972046942981  2.036279496193  0.513238225191  0.230567161936  -0.084790057279  -0.001809049261  -0.000151372436  0.002836587668
  18  Al  6.146212859353  7.944793618444  1.934210818805  -0.119642953441  0.255987991641  0.320202818941  0.000886481098  -0.002721243323  -0.001085245520
  19  Al  6.093438936107  2.135490531335  7.973276612542  -0.317098184959  -0.281472263836  0.464451009688  -0.002807025798  -0.002286745774  -0.004571434389
  20  Al  4.126537152988  0.129918141100  4.042178785837  -0.057774328836  -0.438249051312  -0.020421911274  0.001395620226  0.003672412565  0.001874530515
  21  Al  4.089764065691  2.088546001188  6.054350236998  -0.132856841878  0.053346411978  0.275579819045  0.000337451726  0.003991433997  0.001187980349
  22  Al  6.085525894231  8.079211113706  6.094901860970  -0.106435212502  0.015606790986  -0.035450631391  -0.001488188444  -0.002336092807  0.001432660556
  23  Al  6.203782910431  2.004142509607  4.057563837041  -0.196384231503  0.013223539043  0.007921001257  0.000125908154  -0.000661344422  0.002213066413
  24  Al  4.083186776949  4.002520384176  0.194405949469  -0.221691966565  0.002531069810  -0.965159687633  -0.002295816764  -0.000926768277  -0.000369753260
  25  Al  4.073030855715  6.108871121622  2.035616270193  -0.057460736180  0.041716520505  -0.073074001333  0.001265956982  -0.002513605810  -0.002776019968
  26  Al  5.911714911428  4.221593392827  1.923619345733  0.524169912969  -0.679358754292  0.707786753473  -0.005675395570  0.002706477184  -0.001598708722
  27  Al  5.968716992319  6.009230184554  0.114411986202  0.180434305198  0.248666597601  -0.685631495867  -0.002659968548  -0.003137665259  -0.000749932744
  28  Al  4.090725931066  4.127856315819  4.171312636614  -0.061634912990  -0.139976336638  -0.261672717171  0.000864050095  0.000253608991  0.004002091834
  29  Al  3.999294208511  6.033263932509  6.240808483470  0.197692764404  -0.043299492915  -0.132726552462  -0.001516552199  -0.004590898171  0.003023088243
  30  Al  6.086357891775  4.039477447522  6.174436662852  -0.331593440884  0.271431240358  -0.056476540379  -0.000492405755  0.002717634626  0.003686588096
  31  Al  6.134015723900  5.969646511834  3.984354380692  -0.128883930956  0.403575328758  0.151546345569  -0.001793155086  -0.002669977913  -0.002362568677


MDSTEP:  66
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -71.023314892128  -1.955134879326  4.505663325100
  -1.955134879326  -68.376339421006  -3.930124588130
  4.505663325100  -3.930124588130  -61.051312123402
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.013931930273  7.952253297380  7.998979482056  0.360360889630  0.049156678593  0.041602624499  -0.002258910848  -0.004223246717  -0.002945564208
  1  Al  0.000395878138  1.886689918134  1.965691965337  0.075162074811  0.174690216754  0.055133858850  -0.000984947491  -0.004312433757  -0.000616588099
  2  Al  1.913132949731  7.991934028560  1.880484792801  0.048293560634  0.408212888589  0.479469883681  -0.003227571226  0.001468711425  -0.002970974858
  3  Al  1.953336905429  2.028243203965  8.016791048793  0.182181435974  -0.002050494121  0.119529869068  -0.003572266453  0.002183190815  -0.003760437718
  4  Al  0.060287533712  7.962463498754  4.242532444056  -0.105361320411  0.231619773891  -0.740723177761  0.002078856931  -0.004060510324  0.003357818118
  5  Al  8.034319899046  1.949245153177  6.160537053780  0.182914381371  -0.008415574927  -0.344993794952  -0.001830289398  -0.002461081076  0.001661376001
  6  Al  2.015496496499  8.087189660725  5.992023602022  0.045615286854  0.022786790061  0.410219362812  -0.000942311324  -0.002226050073  -0.003292038848
  7  Al  2.054598277987  1.953870377804  4.081319320229  -0.232974660153  0.048460359784  0.028404375549  0.002589080443  -0.002456819469  -0.000521506577
  8  Al  8.005241855926  4.142440741145  8.023520198112  0.149060290518  -0.318726558260  0.413735115655  -0.004150076781  0.000510027365  0.000071290055
  9  Al  0.010520959778  6.074162757243  2.023635635832  -0.135072250680  -0.058339717950  0.110223559522  -0.000289829679  -0.001140629393  0.001847613186
  10  Al  2.115729565861  4.019406966479  2.011379089269  -0.353887711002  0.096124148760  0.237812644798  0.002496807044  0.001063163455  -0.002062398015
  11  Al  2.035589357115  6.065674152096  0.170294346137  -0.119795017973  -0.092342179248  -0.594920379789  0.000546212959  -0.001731489646  0.004430476685
  12  Al  8.075268414531  4.046876891618  4.050372058061  0.246595619827  -0.136221872854  0.027863450650  0.000811422626  -0.001356167899  0.003223318582
  13  Al  8.019273318913  6.044381240914  6.076586764945  0.124994398488  0.051717886818  0.093862880818  -0.000755400696  0.000381863535  0.000887178903
  14  Al  1.983713782337  3.995853340927  6.141009419784  0.132490488715  -0.046333907394  -0.149387728543  -0.001095875593  -0.001336453219  0.001388870713
  15  Al  2.118928195889  6.146851864822  3.950470515670  -0.267924575224  -0.036285756541  0.217546414620  0.000899609910  0.001586554662  -0.001033886832
  16  Al  4.093167412617  0.138088374390  0.042076529043  -0.013579059668  -0.344976346830  -0.015683295225  -0.000576428694  0.003052546235  0.005337743679
  17  Al  3.858179122453  1.972095857723  2.037734039017  0.518109557231  0.233222618699  -0.092339486112  -0.001644187022  0.000421308506  0.003171405965
  18  Al  6.146508389164  7.943572014664  1.933685956730  -0.119549247792  0.258988055673  0.320703858676  0.000622821826  -0.002449786197  -0.001080047657
  19  Al  6.092015313074  2.134431459420  7.971135007150  -0.315164434268  -0.280131774919  0.476352413434  -0.003202881798  -0.002148651495  -0.003852771459
  20  Al  4.127297205856  0.131808984738  4.043000483678  -0.051421261103  -0.447307959910  -0.020735205516  0.001427462128  0.003398298398  0.001517670482
  21  Al  4.089768597184  2.090366796487  6.055038596860  -0.137236887084  0.051499178414  0.276146913990  -0.000087659310  0.003673639864  0.001373441087
  22  Al  6.084883061676  8.077997256904  6.095800078189  -0.112316396470  0.012324774434  -0.038077582792  -0.001654590122  -0.002548426229  0.001985729151
  23  Al  6.204017958638  2.003758222435  4.058626929470  -0.193992466483  0.014876905415  0.000587478961  0.000331438736  -0.001025343612  0.002149673141
  24  Al  4.081877413690  4.002174510081  0.194105182616  -0.226036493892  0.001206705196  -0.974130445822  -0.002560521091  -0.001000184717  -0.000731625341
  25  Al  4.073549060371  6.107448602750  2.034284982175  -0.064624621166  0.051266480627  -0.068246754214  0.000673147724  -0.002875143487  -0.002392694741
  26  Al  5.908830871753  4.222840386304  1.922820048112  0.537760629442  -0.694350187686  0.716247440379  -0.005636994901  0.002587284893  -0.001155792573
  27  Al  5.967556997186  6.007686889329  0.113899081025  0.181559945154  0.260005938355  -0.689831294581  -0.002094213578  -0.002975562580  -0.000780838978
  28  Al  4.091168274157  4.128029696129  4.173116403292  -0.068200664481  -0.139384062592  -0.261657063505  0.000984848723  0.000077938499  0.003453285285
  29  Al  3.998377403811  6.030831529717  6.242409328508  0.193072513318  -0.038103748484  -0.131642939880  -0.002133123744  -0.005067828799  0.003417422762
  30  Al  6.086225697163  4.040950559058  6.176267441521  -0.336550996422  0.268624695140  -0.061167359437  -0.000625043095  0.003023503136  0.003929182897
  31  Al  6.132948462087  5.968475039509  3.983204962840  -0.124483007693  0.408186046514  0.158094362165  -0.002210139435  -0.001938766989  -0.002308536286


MDSTEP:  67
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -70.829521609438  -2.021750248927  4.605311319073
  -2.021750248927  -68.159392398928  -3.982705660713
  4.605311319073  -3.982705660713  -60.582880520608
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.012927041349  7.950208348143  7.997669838233  0.360934210569  0.051298572708  0.048376495116  -0.001691320634  -0.003701820687  -0.002398764509
  1  Al  0.000011909594  1.884600344641  1.965298567838  0.071044051101  0.178163851229  0.056842170164  -0.000652307231  -0.004270628876  -0.000464236448
  2  Al  1.911406733627  7.992760856313  1.878867121000  0.050176227339  0.406544377773  0.481850831463  -0.003663561934  0.001991129127  -0.003546933164
  3  Al  1.951558889651  2.029485161026  8.014777680679  0.190896253376  -0.006218324828  0.129380672865  -0.003427692581  0.002800416788  -0.004042410350
  4  Al  0.061173865791  7.960338513553  4.244139874555  -0.115734212739  0.238989718727  -0.748514987862  0.001737233561  -0.004196091426  0.002879954754
  5  Al  8.033425800820  1.947873153224  6.161511913373  0.181426844747  -0.003908273253  -0.351171319483  -0.001780862250  -0.002893803455  0.002101394638
  6  Al  2.015116093802  8.086138372637  5.990434501482  0.054323920245  0.020608941725  0.419444204801  -0.000840841486  -0.001770328784  -0.002814237860
  7  Al  2.055973841828  1.952721345196  4.081131955728  -0.240356580849  0.055705778810  0.032582241220  0.002886752424  -0.001915262508  -0.000655692297
  8  Al  8.003197668383  4.142691722396  8.023566854567  0.156973944593  -0.322772705212  0.416941194311  -0.004011905022  0.000132657790  0.000284750318
  9  Al  0.010196589575  6.073621982735  2.024503906293  -0.134932696168  -0.057329000355  0.107548369612  -0.000696546269  -0.001121982254  0.001875690917
  10  Al  2.116987931798  4.019885065075  2.010548891969  -0.361307949717  0.091440589231  0.245138949143  0.002769915756  0.000822633011  -0.001501300364
  11  Al  2.035854584616  6.064669005807  0.172517695588  -0.121803745487  -0.091537246449  -0.608322663489  0.000645700470  -0.001667560339  0.003998270294
  12  Al  8.075780038048  4.046120909625  4.051913536009  0.246393732014  -0.139791085470  0.026540461095  0.001110104883  -0.001781298029  0.003379882607
  13  Al  8.019025942927  6.044676435542  6.076937819677  0.125593967926  0.044667474857  0.093037181715  -0.000409563763  0.000792909914  0.000973980142
  14  Al  1.983336520965  3.995333277028  6.141670921585  0.133935830926  -0.042846424701  -0.152577766758  -0.001087047443  -0.001225882131  0.001208692449
  15  Al  2.119308782523  6.147607515268  3.949983072525  -0.264082229668  -0.038401970164  0.221700814066  0.000505955496  0.001667743709  -0.000835038734
  16  Al  4.092801832144  0.139458678422  0.044616407314  -0.013821744469  -0.349834465178  -0.025025143065  -0.000391342250  0.002401982690  0.005114782671
  17  Al  3.857523577196  1.972468251487  2.039450902159  0.522290240422  0.230990015089  -0.099075141782  -0.000982253117  0.001011317807  0.003464311697
  18  Al  6.146835681178  7.942343832247  1.933130771148  -0.121199777445  0.264817636071  0.321987778827  0.001002698915  -0.002501192973  -0.000984978617
  19  Al  6.090236054309  2.133341879840  7.969423841084  -0.312127655410  -0.281774684210  0.485340411866  -0.003424159396  -0.001940841791  -0.003683875159
  20  Al  4.127964615116  0.133316439498  4.043696456319  -0.044884153280  -0.453375038924  -0.020177873974  0.001234436127  0.003137600632  0.001296563153
  21  Al  4.089676406381  2.092219641052  6.055723678086  -0.140299251025  0.046233221986  0.275667637699  -0.000529204199  0.003625994698  0.001269818576
  22  Al  6.083871304109  8.076662687478  6.096887590121  -0.116555179479  0.011040122906  -0.041789876699  -0.002356447688  -0.003022541896  0.002150261745
  23  Al  6.204114349167  2.003117165995  4.059713510182  -0.192071508937  0.014125660895  -0.004522749585  0.000524367885  -0.001198305596  0.001980836459
  24  Al  4.080626255858  4.001520199458  0.193674324128  -0.229106982159  -0.000408044372  -0.982055021880  -0.002265883705  -0.001201868627  -0.000940999588
  25  Al  4.073704003439  6.105995978135  2.033223575452  -0.070507694332  0.063438153212  -0.063904489339  0.000079996779  -0.002640225634  -0.002318659324
  26  Al  5.906077916528  4.224180677720  1.922463553160  0.548573318198  -0.710314470150  0.722823718372  -0.005163839020  0.002813519709  -0.000766816172
  27  Al  5.966622778741  6.006254621974  0.113631147224  0.180877081457  0.273259190237  -0.695422142620  -0.001887145640  -0.002712735070  -0.000840148938
  28  Al  4.091710779789  4.127934254318  4.174765921899  -0.074750151099  -0.139807188644  -0.260629785314  0.000712910499  -0.000099540271  0.003306050184
  29  Al  3.997161084767  6.028196103710  6.244225906232  0.190393444420  -0.030239795683  -0.132363420688  -0.002300008570  -0.005372227217  0.003530193597
  30  Al  6.085732848680  4.042500950658  6.178365845749  -0.340283033004  0.263420903871  -0.067221651776  -0.000857404843  0.003266490361  0.003902765854
  31  Al  6.131805584466  5.967707744844  3.982045844406  -0.120008522066  0.413814508264  0.167570901980  -0.002590272136  -0.001293078898  -0.002251629984


MDSTEP:  68
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -70.629814923918  -2.094585662123  4.710019350666
  -2.094585662123  -67.956457291948  -4.032512984723
  4.710019350666  -4.032512984723  -60.161020805937
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.012240609639  7.948551476692  7.996580717547  0.358166639528  0.051472042697  0.056699350741  -0.001384950631  -0.003055976860  -0.002117598845
  1  Al  8.099739818651  1.882419289258  1.965227728889  0.064914297782  0.182043657226  0.055776225034  -0.000216929904  -0.004110091267  -0.000387549995
  2  Al  1.909469387797  7.993925157686  1.876937859637  0.051776085039  0.399858832315  0.485251759605  -0.004092866666  0.002438660404  -0.003574786628
  3  Al  1.949909212847  2.031043620753  8.012748638443  0.199673281220  -0.010964836071  0.140756545035  -0.003130596411  0.003336654775  -0.003931705338
  4  Al  0.062024767273  7.958267407328  4.245412398810  -0.127168748361  0.243515138541  -0.757144546146  0.001987971180  -0.003970314500  0.002395598486
  5  Al  8.032539036796  1.946351349722  6.162638448418  0.178231049889  -0.000650735546  -0.356548498411  -0.001937074968  -0.003315634726  0.001881557573
  6  Al  2.014655655013  8.085419331941  5.989209364162  0.063409153861  0.015985344683  0.426586466759  -0.000971360006  -0.001704259414  -0.002252987962
  7  Al  2.057485030411  1.951955115296  4.080663627933  -0.246245742322  0.063088544282  0.036548004047  0.003343686986  -0.001318126469  -0.001279215387
  8  Al  8.001229950903  4.142573398936  8.023804948431  0.163829651338  -0.323409937623  0.422021396483  -0.003988021687  -0.000281943819  0.000691069374
  9  Al  0.009824413508  6.073040774989  2.025511326749  -0.134386355563  -0.056788816063  0.104030673761  -0.000734220390  -0.001112081628  0.002018060741
  10  Al  2.118499481616  4.020229599490  2.009877788904  -0.368388449976  0.092175236229  0.252693901910  0.002661126309  0.001064874356  -0.001444698093
  11  Al  2.036235057585  6.064006591757  0.174292616431  -0.126060899693  -0.092530170798  -0.617267966599  0.000849012902  -0.001016588002  0.003186666717
  12  Al  8.076378519414  4.045095593589  4.053751940668  0.244873075498  -0.137509871965  0.021772689640  0.001436827176  -0.002357344492  0.003828466041
  13  Al  8.018863755149  6.045174150828  6.077560745086  0.125569558907  0.037282900691  0.091108465509  -0.000238890915  0.001195907141  0.001279777893
  14  Al  1.982626734895  3.994627458796  6.142218112233  0.138067983088  -0.035483601582  -0.157124554010  -0.001606372167  -0.001271966983  0.000863907498
  15  Al  2.119434151386  6.148519608532  3.949635476936  -0.257887197643  -0.042907623938  0.222742885602  0.000323534615  0.002131048082  -0.000797561644
  16  Al  4.092776070366  0.140490357080  0.047191311714  -0.013044656368  -0.354054154146  -0.033469647259  0.000088684574  0.001908068018  0.005092893787
  17  Al  3.857196869336  1.973107175531  2.041198350714  0.527570031761  0.229401572318  -0.106302918138  -0.000687351959  0.001164699580  0.003268393201
  18  Al  6.147511088079  7.941070821691  1.932700978113  -0.122504919832  0.267603904721  0.322246490257  0.001270612919  -0.002351161993  -0.000671189897
  19  Al  6.088591153678  2.132490617628  7.967451131991  -0.309640443620  -0.284639942119  0.496124024175  -0.003556377850  -0.001915212139  -0.004048832836
  20  Al  4.128531641983  0.134946585371  4.044297046831  -0.037046650181  -0.462619604837  -0.020117874767  0.001246104502  0.003065337702  0.001024509020
  21  Al  4.089239392985  2.093992791185  6.056308415437  -0.140294986429  0.042859226566  0.274700700103  -0.000520576420  0.003870630249  0.000956822710
  22  Al  6.082526613988  8.074974715008  6.097950339934  -0.119984420459  0.010172104275  -0.044964304401  -0.002987662975  -0.003168351331  0.001947200565
  23  Al  6.204542326523  2.002559916839  4.060607765929  -0.192830729787  0.013154697904  -0.009642549958  0.001073910378  -0.001217691536  0.001444792596
  24  Al  4.079611529985  4.000972641455  0.193164183028  -0.231467256397  -0.000842693233  -0.987630100440  -0.002140895005  -0.001033515390  -0.000929221829
  25  Al  4.073629057150  6.104808377116  2.031966322851  -0.074075464531  0.073150334158  -0.056810727678  -0.000095234812  -0.002575863735  -0.002385323912
  26  Al  5.903667032733  4.225653906013  1.922053231940  0.557897514820  -0.722127229879  0.730315037854  -0.004440628820  0.003161589223  -0.001115265488
  27  Al  5.965669851546  6.004974154259  0.113058932086  0.181426407249  0.286564076687  -0.696167372218  -0.001973508415  -0.002684840431  -0.001319845314
  28  Al  4.091881184656  4.127930155858  4.176422453476  -0.079820613125  -0.137028998209  -0.261050243073  0.000411424248  0.000127153683  0.002940082047
  29  Al  3.996077395242  6.025459302500  6.245939522105  0.187899217276  -0.023537577187  -0.135983438432  -0.002277383169  -0.005183739524  0.003241490124
  30  Al  6.085368292320  4.044217049420  6.180170207375  -0.346185370596  0.259014601685  -0.073503906046  -0.000689166645  0.003451441186  0.003662748249
  31  Al  6.130358189951  5.967181960612  3.980953332856  -0.116271042371  0.417753578215  0.174354031060  -0.002619944798  -0.001006475490  -0.002114024329


MDSTEP:  69
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -70.434237869446  -2.155574936710  4.809881451642
  -2.155574936710  -67.756517587122  -4.078991486046
  4.809881451642  -4.078991486046  -59.765888209347
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.011542090718  7.947152371282  7.995552239388  0.358484962056  0.053342850070  0.060958571087  -0.001690985362  -0.002705582629  -0.002179314022
  1  Al  8.099791227434  1.880490253374  1.964911017844  0.060502150394  0.187961718972  0.055195136352  -0.000016537291  -0.003881018249  -0.000500971275
  2  Al  1.907313866961  7.995199516717  1.875292334372  0.055014106576  0.396696493306  0.484828267336  -0.004370348989  0.002783884033  -0.003423085479
  3  Al  1.948428293240  2.032821815801  8.010845975341  0.207243949945  -0.015938470476  0.147683263427  -0.003212414101  0.003437775858  -0.003811624417
  4  Al  0.063161836972  7.956368199053  4.246535473041  -0.136070666145  0.252047755475  -0.761021185527  0.002460763316  -0.003921527859  0.002050394751
  5  Al  8.031488725852  1.944557518497  6.163393470946  0.179418812517  0.005940723357  -0.360863248901  -0.001855552354  -0.003454848831  0.001563800567
  6  Al  2.014144733796  8.084434113224  5.988181513520  0.070475798920  0.016939317445  0.436350151889  -0.001283189727  -0.002137655382  -0.002137669998
  7  Al  2.059317528814  1.951403218727  4.079852740341  -0.256102033988  0.069848751723  0.045383562370  0.003390324582  -0.001035870136  -0.001848649711
  8  Al  7.999209646696  4.142409778577  8.024257923941  0.172510632913  -0.326019098481  0.423047878366  -0.004022500417  -0.000603724720  0.001085832886
  9  Al  0.009462369185  6.072509901107  2.026521967035  -0.132559859036  -0.058811769059  0.098055370164  -0.001043579695  -0.001412289433  0.001796636781
  10  Al  2.119649058107  4.020949939431  2.009104193876  -0.375056325740  0.087840257460  0.256558859220  0.002359736421  0.001130138832  -0.001293569895
  11  Al  2.036703597518  6.063652417805  0.175704362305  -0.130335856759  -0.093813711803  -0.628582245974  0.001260642542  -0.000776249992  0.002544703864
  12  Al  8.077216865224  4.043763565132  4.055742002050  0.243761751211  -0.138666396912  0.020644984337  0.001781966421  -0.002439587825  0.003593654177
  13  Al  8.018787052012  6.045872342684  6.078217597570  0.127287601619  0.028088607964  0.092052426553  0.000131155982  0.001703930007  0.001219928020
  14  Al  1.981730148798  3.994061310045  6.142534829083  0.138638581048  -0.033046781437  -0.157984049041  -0.001910307133  -0.000979797198  0.000728451924
  15  Al  2.119632317137  6.149738563349  3.949185510881  -0.254646166649  -0.046862521805  0.226780705708  0.000488984624  0.002417467120  -0.001020888332
  16  Al  4.092890516718  0.141366746439  0.049709301101  -0.016593067364  -0.355602923697  -0.043922893623  0.000064848271  0.001807786872  0.005054940969
  17  Al  3.856836225237  1.973632951067  2.042719295360  0.529979122832  0.228749652308  -0.116236465380  -0.000590592002  0.001301237336  0.002748133584
  18  Al  6.148106294097  7.939992670254  1.932459581252  -0.123026280505  0.272261721518  0.319229019605  0.001386514033  -0.002276587938  -0.000596586873
  19  Al  6.086679676459  2.131426667701  7.965375008248  -0.305190174519  -0.284821975253  0.504239293259  -0.003843862661  -0.002237007376  -0.004209363083
  20  Al  4.129210719618  0.136381777200  4.044720965339  -0.032988170527  -0.466000728672  -0.017571592475  0.001484755871  0.002453313265  0.000780264146
  21  Al  4.089155829961  2.096090271300  6.056680500796  -0.145005347057  0.037752245963  0.276230443770  -0.000192348437  0.004528585289  0.001012708097
  22  Al  6.080883641134  8.073494336146  6.098834790686  -0.119957306857  0.011325784853  -0.045743831579  -0.003129427173  -0.002874233624  0.001854693265
  23  Al  6.205188259545  2.001899474458  4.061158302778  -0.190513719573  0.013931877293  -0.011182770178  0.001423157385  -0.001342294413  0.001132928270
  24  Al  4.078485360853  4.000486684069  0.192745102299  -0.235136173767  -0.002518854715  -0.994952809906  -0.002575136135  -0.000762651772  -0.001107149046
  25  Al  4.073608768627  6.103420114400  2.030838251540  -0.079784037671  0.083269938248  -0.055852292008  0.000124146873  -0.002805553136  -0.002065765709
  26  Al  5.901637287708  4.227342266943  1.921348287671  0.568013750675  -0.737305874102  0.734621767530  -0.004334872000  0.003454535647  -0.001429895566
  27  Al  5.964649270326  6.003569781543  0.112311301911  0.181976957246  0.298824509502  -0.699824837909  -0.001940695500  -0.002900048168  -0.001780968226
  28  Al  4.092122204038  4.128061408001  4.177706003947  -0.086365149320  -0.138624448631  -0.258839776778  0.000650128476  -0.000042592978  0.002517481603
  29  Al  3.994883701598  6.023012364186  6.247467396356  0.183387409353  -0.017794928863  -0.133931279784  -0.002697963898  -0.004802745954  0.003292951689
  30  Al  6.085043682035  4.045952391844  6.182028593998  -0.347837062448  0.252204734889  -0.078414555660  -0.000766551388  0.003308087812  0.003966959294
  31  Al  6.129185639668  5.966701269354  3.979931820077  -0.109528189380  0.418801543560  0.183064133751  -0.002122026963  -0.000727637050  -0.001761822846


MDSTEP:  70
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -70.231521031390  -2.227233632608  4.927813033412
  -2.227233632608  -67.581832783926  -4.127412081605
  4.927813033412  -4.127412081605  -59.375031834995
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.010549624278  7.945845894064  7.994401403525  0.357350811617  0.052938922014  0.070023643868  -0.001846741215  -0.002625229240  -0.002330956906
  1  Al  8.099723281360  1.878538271009  1.964726757615  0.055360173655  0.193301338991  0.053875059008  -0.000307600871  -0.004114836897  -0.000065791466
  2  Al  1.905099038808  7.996709041719  1.873514774158  0.059500195953  0.386397434715  0.487372990577  -0.004168783245  0.002850170034  -0.003365458600
  3  Al  1.946696798746  2.034481396611  8.008937014026  0.217033389444  -0.019883111946  0.158117146554  -0.003749479413  0.003656496749  -0.004079119804
  4  Al  0.064485530589  7.954345879469  4.247462793561  -0.146653706060  0.255753121146  -0.769621832132  0.002854304093  -0.004364685951  0.002015137037
  5  Al  8.030683484442  1.942896500891  6.164202248985  0.177813601810  0.011398433079  -0.366214266267  -0.001818383773  -0.003221164455  0.001310857512
  6  Al  2.013372465286  8.083281676558  5.987071694163  0.081351940259  0.014468050820  0.443034379788  -0.001619628468  -0.002402976246  -0.002353813702
  7  Al  2.060875354993  1.950919245160  4.078814978222  -0.260955302211  0.077029947515  0.050976757207  0.003345397375  -0.001033666765  -0.001804834146
  8  Al  7.997207450487  4.141969674215  8.024890781317  0.179784600301  -0.323999437368  0.427033649436  -0.003807573232  -0.000699316147  0.001013144154
  9  Al  0.008780833814  6.071628485557  2.027307963530  -0.129156067655  -0.059362399768  0.094383520927  -0.001303680295  -0.001705110384  0.001852033491
  10  Al  2.120859218038  4.021359738322  2.008584219009  -0.379686937579  0.090713466121  0.262160469008  0.002320634682  0.000601759949  -0.001134305833
  11  Al  2.037495700127  6.063230341765  0.176837320296  -0.134240511655  -0.095594701004  -0.631596601425  0.001835972921  -0.000875281147  0.002199839498
  12  Al  8.078160485834  4.042656005764  4.057345594845  0.243346038416  -0.135226403588  0.017112304718  0.002094936531  -0.002381913687  0.003378451671
  13  Al  8.018994911132  6.046878080835  6.078780673107  0.126227332449  0.016659068386  0.091251906324  0.000376233095  0.001886302005  0.001297775650
  14  Al  1.980716427762  3.993647661598  6.142946564157  0.143022737151  -0.026856081198  -0.162713837009  -0.001975249090  -0.001081286197  0.000983152826
  15  Al  2.119923136010  6.150937075652  3.948614588604  -0.247842469081  -0.052523371321  0.226418061660  0.000452031925  0.002265152460  -0.001226688796
  16  Al  4.092840918637  0.142298143952  0.052246252683  -0.017367956404  -0.360411423124  -0.050672263105  -0.000098281875  0.001988365296  0.005194670967
  17  Al  3.856606277334  1.974408412867  2.043946484298  0.533756285626  0.226636405845  -0.123117261435  -0.000220404870  0.001626804201  0.002131937811
  18  Al  6.148897602112  7.938794233753  1.932104391240  -0.126652340657  0.273057823454  0.318218181504  0.001636226358  -0.002508761942  -0.000399701202
  19  Al  6.084747291017  2.130253610252  7.963241768908  -0.302438242571  -0.285935228650  0.515981886844  -0.003711674102  -0.002071726476  -0.004238509092
  20  Al  4.130016397853  0.137399898636  4.045077310977  -0.027674338167  -0.472962101832  -0.018514182617  0.001668715782  0.001845976419  0.000818515065
  21  Al  4.089047044548  2.098521376474  6.057321123534  -0.148299487274  0.032715442082  0.274470849862  0.000087539689  0.004602327826  0.001011232239
  22  Al  6.079397186815  8.072100481384  6.099805033200  -0.123516016924  0.008725777746  -0.049416173366  -0.003022471604  -0.002443727374  0.001844822099
  23  Al  6.205965483908  2.001217622426  4.061740694199  -0.192430674201  0.013773783915  -0.015907357559  0.001289477056  -0.001447465017  0.001331771038
  24  Al  4.077036393850  4.000209989683  0.192057033982  -0.237684155085  -0.001897017932  -0.997380985161  -0.002603208738  -0.000240949442  -0.001167528573
  25  Al  4.073753204023  6.102002823980  2.029900557142  -0.086006632343  0.093427347693  -0.051785326068  0.000387185251  -0.002979137488  -0.002067323548
  26  Al  5.899332160733  4.229108441661  1.920623336374  0.576623980651  -0.748306274220  0.740417303993  -0.004166617067  0.003655061919  -0.001033654489
  27  Al  5.963729156046  6.002074106091  0.111277963861  0.180699498180  0.312162128200  -0.698419596446  -0.001667552962  -0.002924123955  -0.002084984199
  28  Al  4.092531313133  4.127887562880  4.178939935079  -0.093893719876  -0.133833477986  -0.259517175503  0.001026274713  -0.000633090421  0.002690217731
  29  Al  3.993379431344  6.020656556547  6.249232473794  0.181369728761  -0.012770182015  -0.137720229377  -0.002850446568  -0.004431178997  0.003673924514
  30  Al  6.084601740932  4.047525137232  6.184137166669  -0.351827431595  0.249953930518  -0.085841859073  -0.001195953391  0.003105635857  0.003851931975
  31  Al  6.128236162988  5.966454323562  3.979191510010  -0.106914324934  0.420448789710  0.187590835265  -0.001700628559  -0.000555410121  -0.001659013022


MDSTEP:  71
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -70.015495096240  -2.295659111042  5.054933007435
  -2.295659111042  -67.390320449957  -4.177729802203
  5.054933007435  -4.177729802203  -58.989397303791
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.009695349504  7.944527142043  7.993221282482  0.355947944149  0.056797645169  0.077052835940  -0.001385558544  -0.002401816758  -0.002587238531
  1  Al  8.099483626563  1.876375416477  1.964845226377  0.049713425456  0.198428928397  0.052909053863  -0.000643767844  -0.003936532107  0.000275369082
  2  Al  1.903145083716  7.998049686751  1.871926875772  0.060410394628  0.381350121549  0.488142059984  -0.004252418089  0.002980886262  -0.003143933223
  3  Al  1.944678813826  2.036478312550  8.006766855537  0.224057504150  -0.027573971745  0.168401102153  -0.003701931817  0.003985372414  -0.004125914155
  4  Al  0.066016141064  7.952003513102  4.248550610078  -0.159576699719  0.264966567232  -0.777120687874  0.002756411096  -0.004626993793  0.002107816239
  5  Al  8.029670342079  1.941336354042  6.164704328458  0.176861245769  0.016278922553  -0.371923805109  -0.002305157098  -0.003317672572  0.000630403779
  6  Al  2.012525105328  8.082031136978  5.985827699818  0.089538090948  0.015453009699  0.451659625249  -0.001576876836  -0.002853469476  -0.002673446189
  7  Al  2.062662926188  1.950369551962  4.078047906195  -0.271281032946  0.083147362097  0.057681986260  0.003519891439  -0.000953513259  -0.001873955421
  8  Al  7.995402073463  4.141710462430  8.025271068095  0.185159118378  -0.325894077409  0.429727803875  -0.003787920770  -0.000324677559  0.000768459240
  9  Al  0.008158688890  6.070804790723  2.028374000526  -0.127170834795  -0.059710516437  0.089676207294  -0.001425281230  -0.001598197286  0.002373509167
  10  Al  2.121969692789  4.021551699380  2.007969888043  -0.387595474040  0.089057981865  0.267704270476  0.002169166851  0.000346501326  -0.001109468577
  11  Al  2.038539570439  6.062777136658  0.177904201803  -0.141464226148  -0.095273343160  -0.637537963825  0.002185325023  -0.000752774398  0.002132642074
  12  Al  8.079311801755  4.041381651445  4.059120453721  0.240578247035  -0.136102158683  0.014831373316  0.002095799144  -0.002387576322  0.003506365434
  13  Al  8.019163285106  6.047758644688  6.079515373220  0.125202563374  0.006219195172  0.090423171212  0.000474158359  0.001834878684  0.001829565313
  14  Al  1.979754899708  3.992980023849  6.143517981909  0.143187964938  -0.022567494197  -0.167980215351  -0.001967475671  -0.001151470545  0.001119776620
  15  Al  2.120084349062  6.152003715810  3.947958822085  -0.243789607057  -0.057017772071  0.228826003988  0.000617102189  0.002364230770  -0.001128898380
  16  Al  4.092792234842  0.143355111735  0.054903972068  -0.018030924193  -0.362233377972  -0.060015599863  0.000256488652  0.002046678353  0.005445222314
  17  Al  3.856615820366  1.975259755267  2.044851233171  0.537074623059  0.223235456502  -0.129350500261  -0.000188672592  0.002049084598  0.001711172220
  18  Al  6.149742520455  7.937483908312  1.932059880050  -0.126286380640  0.278089020498  0.315526140373  0.001434164643  -0.002831887300  -0.000290178242
  19  Al  6.082968002357  2.129354941224  7.961136499156  -0.296435994969  -0.288343704307  0.526511906904  -0.003457564178  -0.001866790390  -0.003953549117
  20  Al  4.130879435399  0.138227753620  4.045539480404  -0.022471554010  -0.475808548018  -0.017646930314  0.001696852578  0.001918589198  0.000691161365
  21  Al  4.089243369650  2.100692599126  6.057691733034  -0.151500975206  0.025740689043  0.274476744016  0.000075293978  0.004385015724  0.001065077068
  22  Al  6.077861169529  8.071050608772  6.100679612785  -0.122663050017  0.009186979337  -0.052018839014  -0.002930562800  -0.001870887626  0.001826962098
  23  Al  6.206477736601  2.000452009442  4.062490073817  -0.188744923305  0.013729957724  -0.019455509175  0.000740273966  -0.001549286873  0.001290342750
  24  Al  4.075882152115  4.000245734627  0.191577573726  -0.238615012835  -0.004673973727  -1.001589920898  -0.002593463149  0.000349317539  -0.000691321438
  25  Al  4.073995953877  6.100440976911  2.028770927992  -0.091313560547  0.104501653212  -0.047851678979  0.000569774537  -0.002874430689  -0.002025562998
  26  Al  5.897470670640  4.230997328862  1.920314633182  0.588267684629  -0.763234441171  0.744045923885  -0.003773671948  0.003897553705  -0.000717812574
  27  Al  5.962981717364  6.000645657588  0.110226317711  0.182211067944  0.325024782010  -0.698410287027  -0.001803667896  -0.002489948890  -0.002362650650
  28  Al  4.093148478751  4.127428317580  4.180396221677  -0.099902108309  -0.131721089267  -0.259535119665  0.001181342925  -0.001210383393  0.002790553187
  29  Al  3.992033255030  6.018581185189  6.251141320869  0.178905399755  -0.007110660872  -0.140356758644  -0.002558207938  -0.003933229569  0.004021524866
  30  Al  6.083847728644  4.049058027701  6.185880525973  -0.350161838753  0.244428256497  -0.091803344973  -0.001610615027  0.002878732490  0.003637856387
  31  Al  6.127485011109  5.966145859233  3.978272807055  -0.100111076723  0.421628600482  0.195000952184  -0.001437163451  -0.000699187695  -0.001944409137


MDSTEP:  72
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -69.793217578740  -2.363076871854  5.185606904308
  -2.363076871854  -67.201236937553  -4.222085995885
  5.185606904308  -4.222085995885  -58.598903782711
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.009164065734  7.943444077306  7.991814164994  0.353850520318  0.058489933773  0.086701818254  -0.001028399112  -0.002508412433  -0.003080881537
  1  Al  8.099079513516  1.874601738902  1.965002126696  0.044327001367  0.203424693041  0.050617366850  -0.001084184558  -0.003759626974  0.000373726669
  2  Al  1.900846620719  7.999689927982  1.870370840934  0.066562866334  0.372100632798  0.487899005823  -0.004678753292  0.003146344045  -0.003089701855
  3  Al  1.942994866929  2.038466769026  8.004811099871  0.232806535230  -0.033748031923  0.178192854557  -0.003461041476  0.004270258674  -0.004060914381
  4  Al  0.067241941685  7.949718885676  4.249570609799  -0.171186925774  0.270804701539  -0.785396555041  0.002147533102  -0.004700232042  0.001609212246
  5  Al  8.028378327344  1.939578828319  6.164832652765  0.176586756031  0.023446737301  -0.374833660802  -0.002629455957  -0.003633584561  0.000567472023
  6  Al  2.011795588450  8.080428207082  5.984398247974  0.101918462897  0.016187095104  0.460933365732  -0.001351814772  -0.002992090172  -0.003114878198
  7  Al  2.064395246432  1.949965731901  4.076941022802  -0.276680725634  0.089106448000  0.065812525768  0.003056756540  -0.000867036926  -0.001938512203
  8  Al  7.993419529716  4.141644996656  8.025659240557  0.191713531114  -0.325450403146  0.433438735613  -0.003686098537  0.000062783839  0.000503560039
  9  Al  0.007355552583  6.070030288271  2.029681472697  -0.123133359785  -0.061236449374  0.082631945847  -0.001562829466  -0.001630383141  0.002550950786
  10  Al  2.123028384888  4.021706239648  2.007474750432  -0.393062211410  0.091612931177  0.271424418764  0.002356837590  0.000601681281  -0.001005324157
  11  Al  2.039681025150  6.062477567367  0.178969962370  -0.145324964039  -0.096207554799  -0.641252462049  0.002627597080  -0.000975133329  0.002143459114
  12  Al  8.080256284978  4.040268429442  4.060851960279  0.237812651099  -0.134500908728  0.012494175684  0.001954462749  -0.002336105050  0.003748119759
  13  Al  8.019469069491  6.048712959520  6.080610238420  0.123091178914  -0.006383183660  0.088694623188  0.000264002520  0.002031330172  0.002431879884
  14  Al  1.978748952091  3.992496191053  6.144066340777  0.147798404938  -0.015879466061  -0.171822416872  -0.002156643098  -0.000735555538  0.000770625861
  15  Al  2.120540238199  6.153301306422  3.947485690223  -0.236623016797  -0.062937685633  0.229011069277  0.000740054906  0.002358753535  -0.000992127783
  16  Al  4.093097407289  0.144344822305  0.057691474997  -0.020791612187  -0.365743540793  -0.068332711030  0.000432657201  0.002182197178  0.005293863159
  17  Al  3.856417604743  1.976457497464  2.045657656518  0.542262208807  0.219079093819  -0.136526990864  -0.000457841415  0.002655020328  0.001646400390
  18  Al  6.150331766755  7.935962346453  1.931814212998  -0.129156310492  0.281602416738  0.313936661491  0.000935102462  -0.002881163911  -0.000557215791
  19  Al  6.081289726839  2.128386819862  7.959288219790  -0.294945038183  -0.288735488220  0.536574762129  -0.003527356443  -0.002156768479  -0.003437776201
  20  Al  4.131713250431  0.139318487834  4.045768472343  -0.016591805230  -0.481749420811  -0.016911687353  0.001810665435  0.001835895426  0.000560085245
  21  Al  4.089122338526  2.102906392199  6.058386200601  -0.154167106082  0.019623063035  0.273516768447  -0.000518426183  0.004112315871  0.001514339461
  22  Al  6.076466624015  8.070229593758  6.101631995298  -0.127834435624  0.007332050615  -0.055470793704  -0.002598059428  -0.001501986998  0.002261793148
  23  Al  6.206705757874  1.999668335553  4.063031036949  -0.189198579131  0.014476968080  -0.022643342058  0.000554284133  -0.001410168901  0.001206434465
  24  Al  4.074442930701  4.000559307221  0.191365712544  -0.238978738086  -0.005248994316  -1.006361485977  -0.002895193402  0.000975950876  -0.000523321453
  25  Al  4.074322978560  6.099128393291  2.027874994144  -0.096846088906  0.115132409142  -0.044500374464  0.000699478577  -0.002767731705  -0.001644078389
  26  Al  5.895558488785  4.233005995365  1.919905523801  0.596574968596  -0.774766150488  0.746773847872  -0.003393236718  0.003961605714  -0.000731571176
  27  Al  5.961925488150  5.999584157201  0.108915313211  0.180755202744  0.334739634683  -0.695817871345  -0.002346606900  -0.001788324379  -0.002775764458
  28  Al  4.093712656058  4.126677179487  4.181730488267  -0.105988524473  -0.126060868212  -0.258589338883  0.001278573914  -0.001810233016  0.002276598886
  29  Al  3.990821223406  6.016723326977  6.253253998660  0.175502689914  -0.003255707905  -0.143851240879  -0.002699703990  -0.003790464472  0.004003883633
  30  Al  6.082991125905  4.050403869722  6.187775023056  -0.351987314108  0.241523260635  -0.098104289121  -0.001474844224  0.002387255695  0.003654579337
  31  Al  6.126798999538  5.965755135866  3.977247100873  -0.099066222362  0.423221784589  0.201761275148  -0.001379236833  -0.000943674352  -0.002052320851


MDSTEP:  73
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -69.575697208324  -2.415897187881  5.311980834838
  -2.415897187881  -67.019447314362  -4.269684628922
  5.311980834838  -4.269684628922  -58.224784761610
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.008666950392  7.942018729610  7.990140400946  0.352392855534  0.063457344085  0.096141288757  -0.001227459593  -0.002473841820  -0.003592604130
  1  Al  8.098399442005  1.872615789502  1.965218953047  0.039598185204  0.208163249188  0.050908361303  -0.001620378168  -0.003831449767  0.000686058054
  2  Al  1.898466330423  8.001196030796  1.868837173917  0.069560626598  0.365878868971  0.488288083327  -0.004496809624  0.002749672367  -0.002778294821
  3  Al  1.941217772350  2.040748571224  8.002705941156  0.238143598744  -0.043471089937  0.187325181343  -0.003665511834  0.004686459152  -0.004480835398
  4  Al  0.068163674166  7.947303281060  4.250159822325  -0.180323618080  0.278883823410  -0.789669658318  0.002182934791  -0.004646273485  0.001199626820
  5  Al  8.027040886122  1.937702769481  6.165271800481  0.177431141312  0.029133331956  -0.382056982967  -0.002637425586  -0.003483391873  0.000859190863
  6  Al  2.011173290556  8.079039046805  5.982712821620  0.108352179343  0.017442557934  0.468013159135  -0.000952742684  -0.002722555689  -0.003224531162
  7  Al  2.065719682728  1.949502515036  4.076109393992  -0.286251025802  0.094173742548  0.074396650800  0.002902890361  -0.000804136286  -0.001281315480
  8  Al  7.991715974926  4.141773246269  8.025774628134  0.195713972475  -0.327195338714  0.436452419414  -0.003639592726  0.000224091376  -0.000049330454
  9  Al  0.006595859424  6.069174407582  2.030924951312  -0.120221717402  -0.061134333675  0.077670764801  -0.001523868734  -0.001343376444  0.002331908491
  10  Al  2.124326530379  4.022153380661  2.006964563886  -0.403087917952  0.090801173752  0.278601743767  0.002889122458  0.000621132761  -0.001155378218
  11  Al  2.041167167520  6.061802003329  0.180047660917  -0.152362671851  -0.092511064958  -0.646258386347  0.002642859091  -0.001527631008  0.002396194357
  12  Al  8.081266264504  4.039045546395  4.062868573480  0.235571335245  -0.135979785678  0.011109149202  0.002352381675  -0.002759315690  0.003670837985
  13  Al  8.019427287626  6.049789974860  6.081947253103  0.122651823441  -0.017114180405  0.083144887844  0.000106948348  0.002050108287  0.002846819115
  14  Al  1.977598256609  3.992244468310  6.144288607770  0.148533005970  -0.012153943421  -0.179063951038  -0.002033409105  -0.000601212275  0.000368494442
  15  Al  2.120824403969  6.154362469345  3.946966694302  -0.233288620701  -0.066710069064  0.232175174726  0.000513136824  0.002387156325  -0.001194876737
  16  Al  4.093224892044  0.145537308914  0.060197835227  -0.022921045684  -0.369186108234  -0.076202162439  0.000611974018  0.002525009662  0.005210710378
  17  Al  3.856157978952  1.977914775596  2.046497633561  0.546733057622  0.212323507513  -0.142430108773  -0.000392205236  0.003024400925  0.001625550141
  18  Al  6.150677622917  7.934602744401  1.931502664259  -0.128091822925  0.286320777806  0.311298927687  0.000746966661  -0.002469207544  -0.000254914267
  19  Al  6.079440645913  2.127198172745  7.957698722954  -0.289721298067  -0.289814506440  0.545371064135  -0.003580994791  -0.002554228090  -0.002784196781
  20  Al  4.132690100834  0.140063649046  4.046099565649  -0.013000856813  -0.484229316117  -0.015427476165  0.002290172672  0.001246135469  0.000338464026
  21  Al  4.088724943467  2.104804914997  6.059206072496  -0.157180974359  0.013151956554  0.271003876350  -0.000994862359  0.003657230617  0.001534135199
  22  Al  6.075263110102  8.069548621774  6.102941405933  -0.130023878386  0.006118691599  -0.059976678845  -0.002659644947  -0.001527513435  0.002537489114
  23  Al  6.207032020734  1.999041840541  4.063696508281  -0.185115961229  0.015177884101  -0.025059516943  0.000408853379  -0.001611548277  0.001539932403
  24  Al  4.072986958713  4.001221685503  0.191054252274  -0.236074401051  -0.007470218426  -1.009883333652  -0.002591239637  0.001566864189  -0.000963784667
  25  Al  4.074695432454  6.097673245206  2.027126849603  -0.101482452019  0.126941159064  -0.041601122477  0.000629168430  -0.003038877397  -0.001837199869
  26  Al  5.894077433922  4.234958934576  1.919583062006  0.605953104284  -0.787387820168  0.747922021305  -0.002806517738  0.003649421272  -0.000362158944
  27  Al  5.960635110465  5.998857333209  0.107450553253  0.181818943756  0.344410594813  -0.693965445215  -0.002607504681  -0.001134169815  -0.003031183290
  28  Al  4.094427052665  4.125618084563  4.182672820563  -0.112346409591  -0.122495312985  -0.255726817848  0.001694810141  -0.002139348980  0.001636529007
  29  Al  3.989333551039  6.014790720716  6.255145204502  0.173067476268  0.002519042250  -0.147396857501  -0.002696936673  -0.004114266398  0.003743944039
  30  Al  6.082372884420  4.051445283396  6.189535105309  -0.350696330329  0.236954325858  -0.105323667923  -0.001055830359  0.001800011081  0.003665706995
  31  Al  6.126105774276  5.965202184881  3.976220486204  -0.093330303555  0.425001056819  0.210219412552  -0.001128689010  -0.001173574499  -0.002345999260


MDSTEP:  74
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -69.333854459347  -2.475193165040  5.446528725496
  -2.475193165040  -66.848242262414  -4.315325725134
  5.446528725496  -4.315325725134  -57.886318206232
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.007936606140  7.940970235485  7.988221560863  0.351533195554  0.066153776613  0.109495896558  -0.001656805921  -0.002072431077  -0.003931075460
  1  Al  8.097459135348  1.870770289135  1.965688184750  0.035733141636  0.213016696902  0.047125431833  -0.001793356407  -0.003496821364  0.000821814599
  2  Al  1.896349811095  8.002439600349  1.867592546114  0.074693027248  0.359170913739  0.485475935667  -0.004285035058  0.002618360181  -0.002672561535
  3  Al  1.939329355095  2.043153228178  8.000330264474  0.246410796246  -0.051638419928  0.200684498767  -0.003697073198  0.004416872516  -0.004730906935
  4  Al  0.069424876476  7.945072612192  4.250770236620  -0.192129215216  0.283740892180  -0.795188016281  0.002559174630  -0.004318450360  0.001328231147
  5  Al  8.025740901757  1.936095436446  6.165691843628  0.176138017550  0.035369144080  -0.385670459808  -0.002664370865  -0.003528507052  0.000895039832
  6  Al  2.010842845767  8.077705651393  5.981173716812  0.118345978569  0.016043766456  0.476070542127  -0.000422041465  -0.002329511100  -0.003319807839
  7  Al  2.067298136793  1.949161595615  4.075659707322  -0.291126620545  0.099742399342  0.080329152924  0.002751827055  -0.000471325225  -0.001083466703
  8  Al  7.989779936990  4.141869088032  8.025609910103  0.201274944956  -0.326872197048  0.442947035805  -0.003831986918  0.000193129513  -0.000405163834
  9  Al  0.005831683849  6.068686911827  2.032013381188  -0.116900084218  -0.063733999696  0.070509328629  -0.001728249444  -0.001057398035  0.002316491186
  10  Al  2.125917507347  4.022327372409  2.006319372214  -0.411062709883  0.093493777204  0.283260971962  0.002982759831  0.000410553647  -0.001478620894
  11  Al  2.042323884241  6.060949936359  0.181366156727  -0.156581535131  -0.090965440697  -0.651180988997  0.002391343000  -0.001945517575  0.002874642758
  12  Al  8.082608666653  4.037509113753  4.064522798263  0.231348596734  -0.134046145309  0.008797968928  0.003051751381  -0.003018712570  0.003340909036
  13  Al  8.019576017839  6.050763067807  6.083457057535  0.120965353922  -0.028991118164  0.078149431313  0.000054939466  0.001651100214  0.003068317297
  14  Al  1.976715542986  3.991894978778  6.144434835219  0.152443461109  -0.004729601690  -0.183863987278  -0.001643687861  -0.000539728537  0.000054206572
  15  Al  2.121053375023  6.155688462747  3.946290813486  -0.225070082125  -0.073822225246  0.233693850272  0.000347027971  0.002322773905  -0.001505152616
  16  Al  4.093709381307  0.146869831967  0.062902185375  -0.026259677358  -0.373594988398  -0.083283196243  0.000594532168  0.002906315239  0.005143297775
  17  Al  3.856025399507  1.979481898389  2.047283206659  0.552231940445  0.206233153396  -0.150082058609  -0.000508884284  0.003434118092  0.001889530374
  18  Al  6.151078733416  7.933493138909  1.931559298731  -0.130391025835  0.288476393709  0.307251425426  0.000668744279  -0.002254867146  0.000139071161
  19  Al  6.077708732048  2.125832591772  7.956504023009  -0.286838155475  -0.289535616996  0.553911207985  -0.003334551390  -0.002640638303  -0.002038233657
  20  Al  4.134003423103  0.140564623302  4.046106936369  -0.008808063263  -0.489277441167  -0.014502714741  0.002522153282  0.001281797378  -0.000013360212
  21  Al  4.088127476167  2.106563622816  6.059920335801  -0.157594589524  0.008607359774  0.270472028613  -0.001141248987  0.003560289535  0.001549443684
  22  Al  6.073806979068  8.068702080324  6.104169484412  -0.134730300641  0.004100963246  -0.064151552906  -0.002911277733  -0.001637253848  0.002220409615
  23  Al  6.207114611253  1.998056787277  4.064570969352  -0.183898602987  0.017253219333  -0.029198070988  -0.000177785445  -0.001791181254  0.001609455997
  24  Al  4.071851691063  4.002126171410  0.190401927877  -0.234362257991  -0.009696385705  -1.011670418230  -0.002176631465  0.001693493163  -0.001732884122
  25  Al  4.074952146989  6.096089515893  2.026037794275  -0.104876115451  0.138318983369  -0.037144243360  0.000757023482  -0.002960942807  -0.002451826872
  26  Al  5.892751971047  4.236655416637  1.919543364857  0.612379556378  -0.796728847955  0.744802974572  -0.002880812455  0.003488214531  -0.000378088268
  27  Al  5.959317983470  5.998449987386  0.105884129920  0.181765106106  0.350749088142  -0.688756802795  -0.002761251062  -0.000517856409  -0.002874942773
  28  Al  4.095407466198  4.124537830507  4.183367017274  -0.118565542598  -0.116320299978  -0.252830977783  0.001751279207  -0.002388891388  0.001217737592
  29  Al  3.988124286733  6.012609060580  6.256997942700  0.169878359805  0.007634283985  -0.151506258605  -0.002209109337  -0.004059624535  0.004007428792
  30  Al  6.081935295547  4.052203880803  6.191440730051  -0.353547596818  0.234561436552  -0.112448884543  -0.000802952335  0.001348821326  0.004072381199
  31  Al  6.125670310528  5.964581561367  3.974901101613  -0.092399301198  0.427286479953  0.218500949785  -0.001174491453  -0.000944415868  -0.002628492386


MDSTEP:  75
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -69.087402545641  -2.538568701980  5.583050239007
  -2.538568701980  -66.683508399535  -4.375912150413
  5.583050239007  -4.375912150413  -57.526789731219
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.007010144471  7.939946298533  7.986209325486  0.352738544038  0.070565542093  0.120444597157  -0.001635519436  -0.002152815567  -0.004341417779
  1  Al  8.096606085599  1.869118968138  1.966040767646  0.032391544769  0.217777635069  0.047741005991  -0.001363416787  -0.003341466159  0.000897986431
  2  Al  1.894181295365  8.003814390978  1.866164612383  0.078514993835  0.353755351197  0.486143368899  -0.004477565107  0.002423772085  -0.003083998921
  3  Al  1.937520699152  2.045165443739  7.997975034221  0.253124559636  -0.058704566915  0.209833088605  -0.003717766952  0.004283294662  -0.004403324856
  4  Al  0.070722848796  7.942984830701  4.251488053471  -0.200181383903  0.290642110346  -0.797560280947  0.002514995140  -0.003769972580  0.001433037678
  5  Al  8.024376515257  1.934174262430  6.166166840313  0.177364444288  0.043189322235  -0.393895101577  -0.002742639204  -0.003989346994  0.000874934808
  6  Al  2.010751249091  8.076709535706  5.979393013781  0.126287261560  0.015193989366  0.481721666418  -0.000282922870  -0.001967744558  -0.003392031806
  7  Al  2.068471509783  1.949031189811  4.075025927289  -0.298727279349  0.104385409243  0.089784521198  0.002427642990  -0.000427251789  -0.001235880477
  8  Al  7.987883988008  4.141966375782  8.025369464300  0.207479641447  -0.328319415525  0.447382603203  -0.003673412047  0.000459014485  -0.000230550311
  9  Al  0.004867609980  6.068117009547  2.033241442498  -0.111430166027  -0.065538051958  0.065408925252  -0.001929633241  -0.000772476198  0.002537673318
  10  Al  2.127309290210  4.022563934308  2.005485942992  -0.419557478766  0.093941551955  0.290960868023  0.003080907594  0.000650866418  -0.001293635025
  11  Al  2.043558510519  6.059856485753  0.182922303675  -0.161154466888  -0.087920885201  -0.659471373299  0.002071046820  -0.002053243579  0.002929463881
  12  Al  8.084318015885  4.036026833825  4.066209482516  0.228561409879  -0.135265980117  0.009145824408  0.003615047448  -0.002628101361  0.003277703448
  13  Al  8.019482227092  6.051441075074  6.085015570400  0.123260256543  -0.039389491370  0.069027667127  0.000103896554  0.001165887490  0.002939846445
  14  Al  1.975954568749  3.991704739774  6.144342814342  0.153706900729  0.000310918907  -0.190976622432  -0.001328635438  -0.000236063931  -0.000381613683
  15  Al  2.121171431940  6.156685243250  3.945461541685  -0.219553071131  -0.078989254924  0.238707179883  0.000090767666  0.001703266012  -0.001608018219
  16  Al  4.093819424211  0.148443624152  0.065341133002  -0.030336963060  -0.377727367451  -0.091180867273  0.000429024087  0.003085259987  0.004507030841
  17  Al  3.855649094667  1.981348893687  2.048387163935  0.556744124942  0.200383173846  -0.156675277881  -0.000750204819  0.003467370416  0.002039851847
  18  Al  6.151346367196  7.932347877255  1.931641735420  -0.130553174237  0.294066320980  0.304375701957  0.000859487443  -0.002065284642  -0.000029376290
  19  Al  6.076106094523  2.124557534442  7.955660489297  -0.282678255539  -0.289833908533  0.559993692999  -0.003040394348  -0.002749325937  -0.001854100104
  20  Al  4.135212254116  0.141345446424  4.046086205437  -0.008740777141  -0.492993263452  -0.011609294591  0.002294518479  0.001300098520  0.000276269639
  21  Al  4.087583694480  2.108365204532  6.060755516179  -0.161051718318  0.003301626034  0.267296953241  -0.001240303023  0.003376707325  0.001762667180
  22  Al  6.072351832369  8.067911367926  6.105161815548  -0.137997607405  0.003617259379  -0.068852491419  -0.002787787481  -0.001216537318  0.002006690869
  23  Al  6.206854235289  1.997250659287  4.065305964278  -0.178258427304  0.020568217936  -0.031190851340  -0.000865792028  -0.001338561356  0.001690516333
  24  Al  4.070810327248  4.002915178666  0.189321368152  -0.234549699282  -0.011730480756  -1.013830479029  -0.002220372256  0.001632449131  -0.002240183985
  25  Al  4.075452455936  6.094712302399  2.024675022731  -0.112456156334  0.149401766462  -0.031116063288  0.001049435828  -0.002416079589  -0.002614813973
  26  Al  5.891196621467  4.238447149107  1.919204973738  0.620298910624  -0.809551538758  0.744608940082  -0.003327307625  0.003644760777  -0.000892148754
  27  Al  5.957873859402  5.998339476800  0.104575610480  0.182789935643  0.356023265048  -0.687134502193  -0.003111022099  -0.000460015244  -0.002844182111
  28  Al  4.096178331872  4.123229193175  4.183890558155  -0.125869781795  -0.111383752832  -0.248073593596  0.001498580229  -0.002919888912  0.000655983217
  29  Al  3.987124441702  6.010731096181  6.259152633294  0.162762700235  0.012277006126  -0.157389171090  -0.001847583630  -0.003495285858  0.004096410537
  30  Al  6.081569932085  4.052794104722  6.193607486508  -0.354692733521  0.230595035239  -0.122610542720  -0.000484373325  0.000953269376  0.004286247716
  31  Al  6.124931282823  5.964257769013  3.973591993819  -0.088236088168  0.427352456332  0.228989908231  -0.001257965258  -0.000619429418  -0.002435641597


MDSTEP:  76
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -68.835667461983  -2.596657706245  5.724309496740
  -2.596657706245  -66.530640744957  -4.432141560197
  5.724309496740  -4.432141560197  -57.166083524185
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.006301086705  7.938817419919  7.983880143084  0.350522142591  0.076600443003  0.136671522101  -0.001454721513  -0.002504999891  -0.004489569466
  1  Al  8.096095718561  1.867428822976  1.966586171180  0.026509558424  0.221891383998  0.043985629168  -0.000677803008  -0.003568255925  0.001113981877
  2  Al  1.891872245988  8.004863372434  1.864508547193  0.082585810542  0.350837473124  0.485184195857  -0.004393885994  0.002139427221  -0.003536507835
  3  Al  1.935611588142  2.047436522840  7.995926939618  0.258773082089  -0.066939401283  0.221986482048  -0.003953875218  0.004225543929  -0.004401340375
  4  Al  0.071939871616  7.941302639611  4.252203274298  -0.210247289802  0.295684297847  -0.803100084734  0.002697467348  -0.003524278513  0.001529984992
  5  Al  8.022998262553  1.932106089452  6.166566778436  0.176928127242  0.051245678050  -0.397489867361  -0.003090218846  -0.004195408426  0.001039289450
  6  Al  2.010559922896  8.075737906835  5.977781685006  0.134950794623  0.014707735738  0.489431591423  -0.000538403755  -0.001668358736  -0.002817201358
  7  Al  2.069725779784  1.948734343827  4.074423826845  -0.305340049594  0.109083804395  0.094950163518  0.002307668629  -0.000561929702  -0.000975720771
  8  Al  7.986106524944  4.142328102517  8.025379359793  0.211676396393  -0.331605627815  0.454270064686  -0.003484229363  0.000611258753  0.000404766005
  9  Al  0.003902050608  6.067914435628  2.034551054505  -0.108438098368  -0.068521247831  0.057340352478  -0.002284178537  -0.000639975050  0.002570045828
  10  Al  2.128998414941  4.022978238827  2.005025737189  -0.429195479034  0.093350438521  0.295031167831  0.003491361905  0.000899434443  -0.000823638524
  11  Al  2.044394931061  6.058896692780  0.184295620608  -0.164953274541  -0.085685005828  -0.664728832352  0.001579005634  -0.001887950921  0.002886949059
  12  Al  8.086223714100  4.034881012392  4.067800501711  0.222659076668  -0.136612329539  0.005959004916  0.004138600206  -0.002441344442  0.003028341902
  13  Al  8.019679914393  6.051928955297  6.086396903980  0.121364890586  -0.048664156833  0.062189448078  0.000073906457  0.001012089096  0.002700558518
  14  Al  1.975386907547  3.991658914847  6.144053221537  0.154976885682  0.004318959405  -0.194638348234  -0.001419226545  -0.000123242783  -0.000478314242
  15  Al  2.121144142689  6.157391728759  3.944682795268  -0.213520843703  -0.082693631591  0.239966164292  0.000174045498  0.001375146084  -0.001869585303
  16  Al  4.094138405393  0.149955091953  0.067409216217  -0.033187554837  -0.381190345357  -0.094840870048  0.000785810042  0.003153029498  0.004401925188
  17  Al  3.855275194688  1.982949268805  2.049323058506  0.562485934613  0.193793775863  -0.165530374416  -0.000566565791  0.002847943557  0.001789208814
  18  Al  6.151938220859  7.931427854268  1.931529922442  -0.131534586180  0.298860213771  0.298628413221  0.001134826482  -0.001751874214  0.000039217283
  19  Al  6.074668337700  2.123083265835  7.954649922905  -0.277604274414  -0.289914379774  0.570320844234  -0.002945077527  -0.002888096946  -0.002328123281
  20  Al  4.136297941583  0.141864721822  4.046383206008  -0.006313572729  -0.497117252164  -0.013223674678  0.002432004727  0.000856522119  0.000660772679
  21  Al  4.086887173145  2.109940330141  6.061683002981  -0.161997721643  -0.001080347200  0.266673075500  -0.001435096567  0.003303668014  0.001597776944
  22  Al  6.071019191587  8.067485543005  6.106176175282  -0.141358531173  0.001535435301  -0.071406732559  -0.002858037669  -0.000724017671  0.001963866416
  23  Al  6.206248819225  1.996718225921  4.066261485685  -0.172101355797  0.023203723898  -0.037025923437  -0.001179544717  -0.000892189378  0.002267792933
  24  Al  4.069631318808  4.003758620542  0.188161743892  -0.232964177315  -0.016891818813  -1.014393741796  -0.002007906461  0.001911165442  -0.002433543388
  25  Al  4.076001582818  6.093673436304  2.023422980302  -0.117462008441  0.162478452861  -0.026239117160  0.001184401433  -0.001943535306  -0.002180099385
  26  Al  5.889424663422  4.240300177414  1.918651216103  0.630712795916  -0.822588720103  0.743985281252  -0.003336620840  0.003504891515  -0.000914751597
  27  Al  5.956206961371  5.997989972143  0.103039947809  0.186706770503  0.365085390888  -0.682509584154  -0.003244710112  -0.001017145718  -0.002978015008
  28  Al  4.096906046427  4.121617941594  4.184023000491  -0.130443404123  -0.105237663463  -0.244180827627  0.001806176029  -0.003228888673  0.000060570697
  29  Al  3.986276703103  6.009113774721  6.261094353237  0.157868516070  0.016838166988  -0.162158260750  -0.001440556101  -0.002916794890  0.004112364786
  30  Al  6.081450922221  4.053157150179  6.195726977766  -0.356319497924  0.227398865207  -0.130502391321  -0.000032053214  0.000942627170  0.003964182540
  31  Al  6.124412345270  5.963962131949  3.972465460016  -0.085739062324  0.427827688736  0.235395230025  -0.001105179063  -0.000757152659  -0.001921048536


MDSTEP:  77
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -68.573630433939  -2.652353914898  5.875772157015
  -2.652353914898  -66.358335281218  -4.487088919092
  5.875772157015  -4.487088919092  -56.814097051308
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.005555422958  7.937441298642  7.981719756020  0.348788053630  0.082882692290  0.149830121946  -0.001416896775  -0.002759216064  -0.004235212506
  1  Al  8.095928282591  1.865550712214  1.967154749524  0.019302348448  0.228594133409  0.043106507161  0.000028378148  -0.004076912830  0.000978783090
  2  Al  1.889787409371  8.005953818199  1.862628104548  0.088474119078  0.346570073587  0.486688319859  -0.003783832982  0.002572591963  -0.003993269732
  3  Al  1.933566823934  2.049390987669  7.993573693847  0.268111640729  -0.072935048653  0.231642723437  -0.004095617641  0.003984243226  -0.004475282905
  4  Al  0.073420316144  7.939460552188  4.253018038463  -0.220332600495  0.300909951733  -0.806282327121  0.002817308811  -0.003776667058  0.001254787964
  5  Al  8.021286296411  1.929978854003  6.167206129762  0.178711337097  0.060995394361  -0.405268106969  -0.003751583010  -0.003937451120  0.000959680151
  6  Al  2.010212845336  8.075041176970  5.976575812423  0.146973651736  0.012134674826  0.494903962114  -0.000526939311  -0.001097810688  -0.002272547373
  7  Al  2.070779178412  1.948469260109  4.074050206519  -0.308618764188  0.115760630895  0.101919967556  0.002410501884  -0.000369623564  -0.000723711551
  8  Al  7.984399758645  4.142577634535  8.025774230305  0.214960723379  -0.334392533751  0.456856779676  -0.003144962936  0.000478466328  0.000664770555
  9  Al  0.002583431443  6.067477034497  2.035811488326  -0.103306607032  -0.071978397202  0.052733793464  -0.002270558078  -0.000557516152  0.002516414020
  10  Al  2.130800652115  4.023463368751  2.004662304468  -0.434769287617  0.092287681544  0.301749630785  0.003837639904  0.000956415422  -0.000348579763
  11  Al  2.045137516153  6.057968534832  0.185809252735  -0.164767184576  -0.085002557500  -0.673789025146  0.001431250125  -0.001884410125  0.003312041443
  12  Al  8.088456616091  4.033585489383  4.069237824418  0.216991312759  -0.137734421537  0.005482766231  0.004646951359  -0.002635481602  0.003220150706
  13  Al  8.019556133549  6.052453164170  6.087716128919  0.121867072715  -0.059958331651  0.054264886285  0.000026333202  0.001314615292  0.002718492615
  14  Al  1.974535342204  3.991581496990  6.143864500100  0.159947580346  0.009641530974  -0.201566326706  -0.001603969271  -0.000357861121  -0.000070622840
  15  Al  2.121345477438  6.158060389334  3.943591956383  -0.205721206668  -0.088279465237  0.246207510237  0.000536482896  0.001129717015  -0.001907894601
  16  Al  4.094605234253  0.151596653650  0.069743058191  -0.037396549674  -0.386142109385  -0.102843053631  0.001175849144  0.003562150412  0.004791229177
  17  Al  3.855082528877  1.984196837244  2.050176372749  0.566947721197  0.191015504047  -0.170996886539  -0.000372005476  0.002799147039  0.001614047030
  18  Al  6.152481193679  7.930596003041  1.931680952703  -0.134202389680  0.302786229039  0.293772471896  0.001412297588  -0.001469004386  0.000642227192
  19  Al  6.073161016996  2.121669437496  7.953332366017  -0.275487739775  -0.287726765733  0.579381314522  -0.003214664940  -0.002689583854  -0.002307764271
  20  Al  4.137644258843  0.142201968543  4.046746978116  -0.006572013028  -0.500539299173  -0.011433968322  0.002863935008  0.000693703040  0.000595635217
  21  Al  4.086148597913  2.111668872546  6.062353293123  -0.163416791472  -0.003985063271  0.265430521613  -0.001323730883  0.003102625728  0.001572964125
  22  Al  6.069493794700  8.067187350255  6.107125681964  -0.146064270088  -0.000861816148  -0.075232437279  -0.002900188086  -0.000373837309  0.001680689386
  23  Al  6.205674690572  1.996358469910  4.067573757211  -0.167667332708  0.027762361975  -0.041467132449  -0.001022090411  -0.000604410141  0.002310026710
  24  Al  4.068802420787  4.004826344107  0.186887824764  -0.232952973728  -0.022064088360  -1.016161065789  -0.001818917372  0.001935783156  -0.002755907987
  25  Al  4.076636857369  6.092768767093  2.022494923346  -0.122295065889  0.172378596760  -0.021376128603  0.001055248312  -0.001445294185  -0.001799351441
  26  Al  5.887860000627  4.241952040622  1.918290222141  0.637433226996  -0.835406875508  0.744612965990  -0.003386227015  0.003429929796  -0.000644836922
  27  Al  5.954629149291  5.997322331082  0.101597595472  0.187783347413  0.373570602424  -0.679259734401  -0.002924131548  -0.001489470388  -0.002997007263
  28  Al  4.097984507901  4.120000304503  4.183951128852  -0.137506077684  -0.098683441871  -0.237532537456  0.001891627693  -0.003450785563  -0.000443333070
  29  Al  3.985683885602  6.007814301291  6.263264998080  0.150004521207  0.018807687295  -0.169886284730  -0.001465483479  -0.002625221415  0.004547362539
  30  Al  6.081537878871  4.053736731891  6.197571669048  -0.360904746240  0.222889568283  -0.139184889946  0.000476353003  0.000945311112  0.003596406379
  31  Al  6.123826103760  5.963500616354  3.971670945282  -0.084315056188  0.426702901539  0.243695662314  -0.001338216683  -0.000575225419  -0.001585818567


MDSTEP:  78
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -68.322126105584  -2.710295447067  6.011177679199
  -2.710295447067  -66.174493214440  -4.545381812493
  6.011177679199  -4.545381812493  -56.485901881517
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.004884189930  7.936058203854  7.979644930578  0.346492244305  0.088990327751  0.165308709153  -0.001625861672  -0.002663332688  -0.004293384480
  1  Al  8.096124096709  1.863351910146  1.967564954270  0.011154999551  0.233978855118  0.039992917789  0.000239863229  -0.004510596534  0.001122028015
  2  Al  1.888088413006  8.007435964397  1.860515277460  0.090941674315  0.341560242166  0.487639544207  -0.003448980084  0.003047906907  -0.004418183450
  3  Al  1.931515970501  2.051420766066  7.991451656713  0.273429289008  -0.081414694971  0.243988209152  -0.003890443064  0.004274249549  -0.004491089849
  4  Al  0.074757180427  7.937525972553  4.253458062262  -0.230061867925  0.305504840894  -0.809181751562  0.002483113181  -0.003537383554  0.001103048731
  5  Al  8.019246679543  1.928168638332  6.167526458587  0.180343016188  0.067490136667  -0.408457700704  -0.003820038032  -0.003484633992  0.000334035379
  6  Al  2.010032983586  8.074640096147  5.975509137633  0.154691729094  0.008392397575  0.500376240184  -0.000559802511  -0.000555573459  -0.002195335061
  7  Al  2.072136281668  1.948364720262  4.073700115294  -0.314535540452  0.118192997154  0.106560531993  0.002550119176  0.000117555407  -0.000473108112
  8  Al  7.982961562008  4.142806568845  8.026044130348  0.217615899929  -0.335887221597  0.462404761940  -0.003094369817  0.000703765251  0.000936887239
  9  Al  0.001631492530  6.067356919476  2.037067468526  -0.100352901706  -0.074661660347  0.045923143725  -0.001844846196  -0.000503931087  0.002794614102
  10  Al  2.132836054845  4.023934654249  2.004677157427  -0.444816401827  0.091876528400  0.303454712047  0.003670265243  0.000739143411  0.000056481122
  11  Al  2.045826181186  6.057012282655  0.187607662050  -0.169498365299  -0.082847208936  -0.681663228320  0.001207993306  -0.001895697679  0.003734174653
  12  Al  8.090870665459  4.032245530790  4.071020652417  0.207768493612  -0.136986650616  0.002200193996  0.004604997576  -0.002367837734  0.003459822288
  13  Al  8.019706247595  6.053243570589  6.089115396595  0.119265420780  -0.070040213984  0.047942943342  0.000206985178  0.001671501311  0.002570512394
  14  Al  1.973782938276  3.991301053726  6.143982598696  0.160574906543  0.015841283643  -0.205412714368  -0.001502997698  -0.000236108015  -0.000088929060
  15  Al  2.121680625585  6.158521445774  3.942774900667  -0.200995713099  -0.088200481361  0.249466392769  0.000556265240  0.001080468960  -0.001425175478
  16  Al  4.095314254538  0.153517242366  0.072200445393  -0.041269446486  -0.391887831854  -0.109179204935  0.001420030224  0.004114464975  0.004928347200
  17  Al  3.854903189213  1.985748415844  2.050937105536  0.571948322769  0.183639170444  -0.177633433214  -0.000037987176  0.002936806318  0.001488525312
  18  Al  6.153350518447  7.929958849882  1.932172149634  -0.134960872604  0.305742923819  0.286834737387  0.001827321685  -0.001287283932  0.000899502952
  19  Al  6.071453672759  2.120393681981  7.952342158634  -0.267841645832  -0.287420413760  0.589532372614  -0.003326064754  -0.002925030454  -0.001907275001
  20  Al  4.139161876591  0.142558424862  4.046978841225  -0.005357398600  -0.504528502186  -0.011144157874  0.003033800333  0.000335625043  0.000636399976
  21  Al  4.085563442262  2.113042955869  6.063255967106  -0.163715876655  -0.008877301304  0.263797547522  -0.001537463940  0.002630099739  0.001638160665
  22  Al  6.068119003501  8.067111705697  6.107856864668  -0.148551876859  -0.005511371626  -0.077882903334  -0.002518819537  -0.000099709679  0.001204890230
  23  Al  6.205226728814  1.996113815780  4.068571512394  -0.161468473201  0.029703490152  -0.047733052769  -0.001136168985  -0.000162911383  0.002215302098
  24  Al  4.067812401436  4.005694403698  0.185405835905  -0.231922323751  -0.025678062140  -1.015172191025  -0.002067095291  0.001653985511  -0.002857702202
  25  Al  4.077056831129  6.092228142120  2.021623628862  -0.124000294707  0.184235770859  -0.017768817696  0.000815240810  -0.000850858151  -0.001754784725
  26  Al  5.886038436407  4.243730107210  1.918006379181  0.648253559822  -0.846903799958  0.744384635451  -0.003770300726  0.003311541061  -0.000562475475
  27  Al  5.953282829823  5.996500501755  0.100042940547  0.192643216849  0.385157389928  -0.674283569831  -0.002445004523  -0.001856722614  -0.003013088333
  28  Al  4.098797674120  4.118167156031  4.183579667421  -0.139646784166  -0.090961323945  -0.231575661873  0.001440829699  -0.003429998404  -0.001038021030
  29  Al  3.984811219624  6.006488553306  6.265641715776  0.145576506119  0.024293463179  -0.176990106722  -0.001619716199  -0.002686855788  0.004447536714
  30  Al  6.081927275224  4.054102461291  6.199323384146  -0.362427655269  0.221031510920  -0.147065191618  0.000484523376  0.001083375583  0.003250221436
  31  Al  6.123074128587  5.963386906530  3.970879641449  -0.079275840447  0.426175409913  0.251336092574  -0.001213120546  0.000161646309  -0.001505918722


MDSTEP:  79
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -68.076591484006  -2.771160699922  6.148209203612
  -2.771160699922  -66.019418127475  -4.587583025019
  6.148209203612  -4.587583025019  -56.160862178563
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.003929561285  7.934777965954  7.977426371539  0.346499416837  0.095053889541  0.180742245255  -0.002132464000  -0.002331434385  -0.004673535089
  1  Al  8.096168145820  1.861040115680  1.968276777539  0.005721453733  0.240994932812  0.038559650042  -0.000046378071  -0.004229091674  0.001094126370
  2  Al  1.886338429288  8.009001725106  1.858209921098  0.096769225681  0.335208145791  0.491540600267  -0.003746710386  0.003047059449  -0.004568339224
  3  Al  1.929676380870  2.053665237218  7.989082603998  0.281187748919  -0.088694828934  0.255277785159  -0.003353944804  0.004722758349  -0.004880084866
  4  Al  0.075903429325  7.935923168633  4.254121087194  -0.236469037316  0.308817090680  -0.813776951199  0.002149892366  -0.003473506272  0.001279461245
  5  Al  8.017466258379  1.926494220011  6.167540165141  0.182919567818  0.076576559878  -0.411824818692  -0.003328480279  -0.003047448836  0.000139920033
  6  Al  2.009653042825  8.074485603511  5.974380477362  0.166774004910  0.003675387029  0.504827786455  -0.000774395419  -0.000566583967  -0.002197726110
  7  Al  2.073329297588  1.948586815516  4.073577098407  -0.316735268414  0.122703748859  0.110508283536  0.002406836086  0.000669724820  0.000089846401
  8  Al  7.981305388828  4.143281399787  8.026711117545  0.221935790257  -0.338162296592  0.463150647339  -0.003108818956  0.001245876328  0.001656911347
  9  Al  0.000738585247  6.066973103410  2.038606102428  -0.094350632248  -0.076324090990  0.040710853195  -0.001468356509  -0.000521408996  0.003331168386
  10  Al  2.134470917359  4.024202512162  2.004718785590  -0.450025650377  0.092324844674  0.308062875100  0.003204031761  0.000899152696  0.000211386154
  11  Al  2.046345509460  6.056072837153  0.189543427387  -0.169616165235  -0.082589128799  -0.691335589793  0.001106809376  -0.002025948754  0.003868824992
  12  Al  8.093061613667  4.031217651649  4.072697646706  0.202420199278  -0.136951140421  0.000422718255  0.004513126863  -0.002107302331  0.003689324747
  13  Al  8.019763118727  6.054124665481  6.090286641312  0.119786804237  -0.082988408478  0.041006230748  -0.000138080498  0.001605697629  0.002578318071
  14  Al  1.973032344506  3.991345388975  6.143775571040  0.164361298624  0.022584530289  -0.210799970442  -0.001557059165  0.000212364480  -0.000126106567
  15  Al  2.121901742678  6.159140858294  3.942166780905  -0.193391987392  -0.090075853120  0.252725454995  0.000749838446  0.001172518277  -0.000977426459
  16  Al  4.096025264477  0.155711118625  0.074671405391  -0.046737070704  -0.399279419919  -0.116596776103  0.001514913712  0.004617218938  0.005229836098
  17  Al  3.855044541701  1.987133643562  2.051664898061  0.574496679588  0.178863008055  -0.181040666678  0.000067626647  0.002748360991  0.001599574053
  18  Al  6.154308515364  7.929308719109  1.932580455655  -0.139262852656  0.307712928217  0.281048770459  0.001581326942  -0.001495741721  0.000963917420
  19  Al  6.069834952242  2.118744407042  7.951425091016  -0.263407763282  -0.283124693985  0.596283198819  -0.002896854551  -0.003592278383  -0.001768569275
  20  Al  4.140678059176  0.142537593586  4.047383378092  -0.007259944659  -0.508014681177  -0.011677354482  0.003257766275  -0.000008509993  0.000792550916
  21  Al  4.084611133973  2.114298972285  6.063991453788  -0.165042875929  -0.010325403217  0.261565784365  -0.001940013909  0.002293036477  0.001698883166
  22  Al  6.066974975163  8.067087640576  6.108330572194  -0.155140577833  -0.009909702000  -0.080442251601  -0.002614577850  0.000253138267  0.000725404693
  23  Al  6.204538521587  1.996195558526  4.069789059309  -0.158483365755  0.033198946232  -0.054173349703  -0.001728107536  -0.000166796276  0.002440114569
  24  Al  4.066735325496  4.006480329618  0.184030122561  -0.232782326299  -0.028663419142  -1.015361817894  -0.001892340216  0.001523309622  -0.003056667785
  25  Al  4.077452098179  6.091917908942  2.020740138620  -0.128370160310  0.193865166672  -0.012114720185  0.000979297365  -0.000683431728  -0.001667130987
  26  Al  5.884089699900  4.245263581683  1.917727746666  0.654509229969  -0.857171702609  0.746335693255  -0.003777525640  0.002623383575  -0.000480941893
  27  Al  5.952184144768  5.995465608468  0.098584507139  0.192525019848  0.396175017143  -0.670050249302  -0.002176558111  -0.002268261192  -0.002607218770
  28  Al  4.099425337600  4.116570306098  4.182913107822  -0.144693798360  -0.083362667215  -0.224258463303  0.001023797012  -0.003369678990  -0.001593410399
  29  Al  3.984064169403  6.005127445503  6.267712534794  0.137750234546  0.028188874065  -0.184383568946  -0.001187986906  -0.002915014958  0.003945010904
  30  Al  6.082022402247  4.054820107474  6.200821890484  -0.366241901418  0.216605925295  -0.153523291636  0.000073594099  0.001107378615  0.003259611127
  31  Al  6.122612983213  5.963662262663  3.970165026560  -0.079645296059  0.423088441366  0.258591262714  -0.000646816768  0.000587898277  -0.001685553654


MDSTEP:  80
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -67.830080691438  -2.809616417166  6.271228273708
  -2.809616417166  -65.861222964728  -4.629095102156
  6.271228273708  -4.629095102156  -55.853170093369
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.002751725930  7.933726769469  7.974971395489  0.345273561466  0.102296061452  0.196470395214  -0.002195544692  -0.002032328865  -0.005224895326
  1  Al  8.096077718638  1.859122818472  1.968659080640  -0.001490655804  0.247054964101  0.035933903944  0.000099698473  -0.003714951640  0.000446889211
  2  Al  1.884341702620  8.010483023846  1.855946938236  0.100210972293  0.331741521943  0.493007787961  -0.004035089363  0.002955293514  -0.004442105073
  3  Al  1.928162025697  2.056143524415  7.986571571846  0.284635973995  -0.097760977737  0.267073595889  -0.002914525065  0.004732712289  -0.004666937450
  4  Al  0.076907072793  7.934052466282  4.254737523507  -0.244518623692  0.314590599944  -0.814353011521  0.001768700656  -0.003470582448  0.001480829115
  5  Al  8.015918199264  1.925121189496  6.167666378620  0.182962241992  0.084135449110  -0.414298431235  -0.002891772889  -0.002880587644  -0.000075574221
  6  Al  2.009258588167  8.074073512180  5.973311411522  0.175325784718  0.001544474654  0.510854005863  -0.000614200169  -0.000815636857  -0.002183583989
  7  Al  2.074543117754  1.949034445083  4.073789961696  -0.321806302126  0.125769725345  0.115146709509  0.002667298404  0.000820258464  0.000495531710
  8  Al  7.979852743051  4.144052445173  8.027701041695  0.223306322504  -0.343593932846  0.462410853825  -0.003122054503  0.001711311431  0.002105209461
  9  Al  0.000163136021  6.066835510480  2.040398636911  -0.091369981730  -0.078699465697  0.032532005097  -0.001485639995  -0.000167597860  0.003293705759
  10  Al  2.136040086606  4.024833806945  2.004888543581  -0.457256527794  0.088771423479  0.309518737252  0.002835236052  0.001122557745  0.000511933075
  11  Al  2.046932990562  6.054986333901  0.191476487042  -0.172274772497  -0.080806567331  -0.702921735978  0.000922479684  -0.002403621842  0.003636392027
  12  Al  8.095383792322  4.030138228459  4.074709977164  0.193878912810  -0.139219899779  -0.000886965013  0.004462538441  -0.002092933536  0.004207137073
  13  Al  8.019568167097  6.054849268218  6.091693714666  0.118171902741  -0.093946084830  0.034638984370  -0.000163779523  0.001202337807  0.002443128782
  14  Al  1.972225879111  3.991513418206  6.143856492130  0.166072849483  0.027992486432  -0.214466862981  -0.001442652435  0.000271350870  0.000378190128
  15  Al  2.122430464031  6.159693964051  3.941797474208  -0.189072691926  -0.089750022868  0.256649164913  0.001137159686  0.000827251942  -0.001003807478
  16  Al  4.096829168250  0.158134461304  0.077430281492  -0.050876465000  -0.405633390223  -0.126888967730  0.001779809457  0.005048257447  0.005563658249
  17  Al  3.854970815860  1.988496776835  2.052536679589  0.578312350019  0.174331783530  -0.186576096367  -0.000384620572  0.002898471549  0.001348852791
  18  Al  6.154931845389  7.928463108161  1.933136067053  -0.138528127479  0.313012512111  0.273144901689  0.001372458488  -0.001363401150  0.001340804296
  19  Al  6.068556818209  2.116801403599  7.950573589360  -0.256586917097  -0.279043022183  0.602131606756  -0.002700471332  -0.003560086002  -0.001689074937
  20  Al  4.142419642866  0.142549914869  4.047771392141  -0.008475526286  -0.510576928737  -0.009945617280  0.003426984894  -0.000308604283  0.000953570253
  21  Al  4.083623428352  2.115335992346  6.064954850272  -0.164381078209  -0.012221963230  0.260392085688  -0.002244177933  0.001916275566  0.002260876149
  22  Al  6.065504425651  8.067364843964  6.108582269361  -0.157247078457  -0.014014900312  -0.080668384356  -0.002979572315  0.000600533558  0.000509285541
  23  Al  6.203498621278  1.995947019504  4.071011626963  -0.150993173828  0.037752648848  -0.058955823601  -0.002291725727  -0.000599839294  0.002584419147
  24  Al  4.065920061220  4.007217713319  0.182349168120  -0.232757162653  -0.033409127457  -1.015089274988  -0.001839670380  0.001130768844  -0.003716980448
  25  Al  4.078036128495  6.091544710391  2.019956497874  -0.131761238120  0.203248140377  -0.007678684207  0.000817901987  -0.000583842516  -0.001734286166
  26  Al  5.882260910767  4.246353490785  1.917525437288  0.663682356301  -0.868553619594  0.746181043474  -0.003831944857  0.002044129499  -0.000620356551
  27  Al  5.951106271712  5.994232240563  0.097435721776  0.196582145318  0.407566039958  -0.669359520516  -0.001922158520  -0.002382331245  -0.002087757693
  28  Al  4.099821471132  4.114797477041  4.181986257023  -0.145482234207  -0.076834872992  -0.214358948845  0.000983604774  -0.003727131154  -0.001686432820
  29  Al  3.983623232718  6.003573538348  6.269586726680  0.131472537404  0.033422822126  -0.189553215294  -0.000819069919  -0.003043282352  0.003848913656
  30  Al  6.082000869323  4.055209839906  6.202582995273  -0.366368059778  0.211855355344  -0.159034913396  0.000295003375  0.000430120044  0.003711503396
  31  Al  6.122427311819  5.963974804808  3.969194087795  -0.078641294362  0.418978767061  0.268950671863  -0.000195981364  0.000403463034  -0.002205686568


