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  -83.332434105858  -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)
  -83.336957338735  -0.000381561000  0.000091526174
  -0.000381561000  -83.337528203310  -0.001000840616
  0.000091526174  -0.001000840616  -83.333249835698
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.097783711899  8.099355498429  8.098995829026  0.006559393442  -0.000134747753  -0.004163577946  -0.004424485288  -0.001281510677  -0.002001209657
  1  Al  8.098949512342  2.023499414492  2.023008947464  0.006149621560  0.002978260381  -0.000036654998  -0.002092921033  -0.002999028636  -0.003980232222
  2  Al  2.023739017984  8.097951425702  2.023881463966  0.002544604563  0.000068649214  0.004159394708  -0.002519860419  -0.004089637948  -0.002234824095
  3  Al  2.023656185469  2.024375027668  8.099653553723  0.001571091098  -0.001172947725  -0.007780627561  -0.002685612482  -0.001248173397  -0.000686083623
  4  Al  0.000336337686  8.098419542192  4.053209214523  0.004486654339  0.001432916799  -0.009238585624  0.000673076477  -0.003153283004  0.006421355382
  5  Al  0.000288801365  2.024971590016  6.076215903197  -0.000811615120  -0.001504285719  -0.002800984755  0.000577530172  -0.000055078323  0.002437184373
  6  Al  2.024439888309  8.099643054998  6.074529725625  -0.002952271316  0.007076912402  0.002318588182  -0.001118611186  -0.000705752821  -0.000934713086
  7  Al  2.024851389563  2.025447606255  4.051224429264  -0.001496620746  -0.004078774604  0.001048114177  -0.000295478543  0.000896723999  0.002452704487
  8  Al  8.099135220992  4.051937704886  8.097240809218  0.000518988067  -0.005503664213  0.005561924031  -0.001722007108  0.003878670008  -0.005510379823
  9  Al  0.000627404404  6.074739352292  2.024783549288  0.000854277364  0.000388465549  0.002906928318  0.001254885181  -0.000515632303  -0.000430765418
  10  Al  2.026228138038  4.047679525522  2.024658778750  -0.002809936757  0.014439660666  0.004468385676  0.002457901000  -0.004635905807  -0.000680166901
  11  Al  2.025498093770  6.075660677257  0.002251169361  -0.005072829502  0.001598679084  0.004043328092  0.000997610162  0.001327125819  0.004502700195
  12  Al  8.098841373719  4.050725775900  4.048226133056  0.007398093945  0.001227453561  0.007208397199  -0.002309086666  0.001455413791  -0.003543337208
  13  Al  0.000177022426  6.074269230784  6.073124006661  0.001077588116  0.001538145346  0.005383064985  0.000354141187  -0.001455772539  -0.003745877053
  14  Al  2.024669485306  4.049232817319  6.075825824900  -0.004486393490  -0.004439541405  -0.002927325387  -0.000659554340  -0.001531009999  0.001657016484
  15  Al  2.026986480079  6.075309375769  4.047957981300  -0.008682794407  -0.002856136612  -0.001477392303  0.003974060053  0.000624124586  -0.004080417225
  16  Al  4.052321493574  0.002483393775  8.099877083162  -0.002268411884  -0.000749775759  0.005997490626  0.004646536613  0.004966720523  -0.000237792992
  17  Al  4.047206551266  2.022828073610  2.024670162396  0.010333617340  0.003501860982  -0.001035720687  -0.005582221397  -0.004341663590  -0.000657891672
  18  Al  6.076869679113  8.097912229950  2.022514077710  -0.008572935364  -0.000529868937  0.002914064350  0.003744220199  -0.004168082960  -0.004969707939
  19  Al  6.075808520270  2.027431458463  8.096994516862  -0.007555265699  -0.007679005620  0.000566793995  0.001621993489  0.004864106560  -0.006003411096
  20  Al  4.050726688167  0.002650111085  4.050249316654  -0.002925563162  -0.008682758372  -0.001132404034  0.001456867048  0.005299445941  0.000502284328
  21  Al  4.050531097721  2.024245007768  6.075491783194  0.000870577066  0.002241368400  0.005626079518  0.001066025527  -0.001507907961  0.000989697741
  22  Al  6.075017844167  0.000164888402  6.075269237122  0.000841714358  0.007608896866  0.003236198058  0.000041391967  0.000330457033  0.000544391943
  23  Al  6.076926585312  2.025381617860  4.049277221962  -0.005827098021  -0.001394742995  0.008594759396  0.003858278072  0.000764987160  -0.001441035456
  24  Al  4.050454356828  4.049749511471  0.002707355282  0.002984602477  -0.001682015322  -0.008242006109  0.000912732735  -0.000497375174  0.005413973738
  25  Al  4.049112329185  6.077407531511  2.027282080785  0.001238098202  -0.004946095298  -0.005184845621  -0.001771478690  0.004820249232  0.004565574180
  26  Al  6.073746430789  4.051786307971  2.023333693674  -0.000398881270  0.001586945245  0.001821344822  -0.002501545699  0.003576510071  -0.003330573699
  27  Al  6.074031107264  6.076089231556  0.002193314799  0.001934125563  -0.003878498236  -0.004283880121  -0.001931984179  0.002183744763  0.004386246624
  28  Al  4.050513970294  4.051007449770  4.051840695044  -0.001474052531  -0.000903450211  -0.008941344144  0.001031561065  0.002018571030  0.003684342997
  29  Al  4.047864670841  6.075687536624  6.078191135905  0.012038916965  -0.001539109331  -0.007868056609  -0.004265829793  0.001380564037  0.006387196800
  30  Al  6.075573917837  4.047803682413  6.075436845917  -0.000779727671  0.002908322865  0.003701282143  0.001153394352  -0.004388622919  0.000879651110
  31  Al  6.077026659015  6.074090559934  4.049820375133  -0.005287567525  0.003078880749  -0.004442732378  0.004058473711  -0.001812976499  -0.000355894655


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)
  -83.326189573899  -0.001401342071  0.000261166538
  -0.001401342071  -83.328143223934  -0.004230240943
  0.000261166538  -0.004230240943  -83.310838761399
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.095571762453  8.098714737066  8.097995038085  0.011471527790  0.000341559949  -0.009523685836  -0.004422873364  -0.001281492196  -0.002002433301
  1  Al  8.097903326710  2.022000033298  2.021018829711  0.011806062805  0.005428934387  0.000068034207  -0.002091315821  -0.002998277058  -0.003980229442
  2  Al  2.022479201516  8.095906609793  2.022764237839  0.005927978618  -0.001620830317  0.009392549101  -0.002519102992  -0.004089776738  -0.002233612575
  3  Al  2.022313449452  2.023750888539  8.099310164120  0.004091021659  -0.002942016867  -0.017267284837  -0.002685106310  -0.001248541279  -0.000688322893
  4  Al  0.000673076477  8.096842964738  4.056419479258  0.009338803199  0.001654323529  -0.017372633301  0.000674312467  -0.003153007026  0.006418976399
  5  Al  0.000577530173  2.024943983613  6.077434370183  -0.002655855800  -0.002963291994  -0.005572482898  0.000577220187  -0.000055477721  0.002436435807
  6  Al  2.023880450749  8.099290494922  6.074062472721  -0.005791607446  0.015642408003  0.003399594821  -0.001119392889  -0.000703721735  -0.000934201890
  7  Al  2.024703583392  2.025895785936  4.052450828361  -0.002326323542  -0.007945143627  0.003810460078  -0.000295820314  0.000895649075  0.002453138856
  8  Al  8.098274240635  4.053876793882  8.094485867917  -0.000704797394  -0.010674601726  0.009837817243  -0.001722023730  0.003877223707  -0.005509003132
  9  Al  0.001254885182  6.074481553505  2.024568296517  0.001820880440  0.000790586988  0.007377237215  0.001255124346  -0.000515526900  -0.000429846024
  10  Al  2.027456962937  4.045362218062  2.024318895034  -0.004353490057  0.029878832290  0.010196842933  0.002457260610  -0.004631943795  -0.000678855845
  11  Al  2.025996672099  6.076324311628  0.004502700198  -0.009632994869  0.003876024982  0.010868758330  0.000996295479  0.001327615262  0.004504033353
  12  Al  8.097687161076  4.051453537664  4.046454786662  0.014893974062  0.003182583729  0.015013411816  -0.002307093786  0.001455808055  -0.003541350616
  13  Al  0.000354141187  6.073541413268  6.071251308753  0.000964296386  0.002717406579  0.008663972306  0.000354323732  -0.001455392105  -0.003744621281
  14  Al  2.024339507596  4.048467113872  6.076654202293  -0.009170373563  -0.011280314709  -0.007814456954  -0.000660775249  -0.001532415352  0.001656056187
  15  Al  2.028973121992  6.075621310395  4.045917706645  -0.016946816831  -0.005439602997  -0.004937145749  0.003971768810  0.000623382957  -0.004080990705
  16  Al  4.054644660488  0.004966720526  8.099758454752  -0.003399393639  0.000161263407  0.012794581889  0.004646029944  0.004966667941  -0.000236112996
  17  Al  4.044415902471  2.020657398343  2.024341170264  0.020071084727  0.006362398276  -0.002096019999  -0.005579503274  -0.004340781760  -0.000658171651
  18  Al  6.078741406009  8.095828164781  2.020029353994  -0.017861269100  -0.003005144304  0.005292581095  0.003741857024  -0.004168399014  -0.004968974302
  19  Al  6.076619179298  2.029863168499  8.093992836644  -0.015428329669  -0.014847354996  -0.001489336957  0.001619938783  0.004862092750  -0.006003493609
  20  Al  4.051454990921  0.005299445944  4.050500408200  -0.006272971126  -0.017073665262  -0.002895945393  0.001456044715  0.005297143369  0.000501924200
  21  Al  4.051064149400  2.023491153975  6.075986883549  0.002356560195  0.004606555657  0.011050736756  0.001066314038  -0.001507295771  0.000991188642
  22  Al  6.075038577775  0.000330457034  6.075541577751  0.002281812043  0.017131250592  0.006619981502  0.000041671208  0.000332668787  0.000545273082
  23  Al  6.078855463882  2.025764049096  4.048557088415  -0.011796207094  -0.002289649192  0.019417802946  0.003856702586  0.000764657783  -0.001438531162
  24  Al  4.050910856607  4.049500748698  0.005413973741  0.007476864024  -0.004773400504  -0.014954768358  0.000913667988  -0.000497952286  0.005411899997
  25  Al  4.048226645181  6.079817435043  2.029564636119  0.002462293284  -0.009041583560  -0.008916875815  -0.001771147889  0.004818998774  0.004564313525
  26  Al  6.072495640108  4.053574633945  2.021668488235  -0.002252522504  0.004939276366  0.003572258718  -0.002501782748  0.003577093533  -0.003330091536
  27  Al  6.073065201627  6.077180930572  0.004386246627  0.003381259213  -0.007704685215  -0.007092478418  -0.001931509000  0.002182709248  0.004385229613
  28  Al  4.051029684937  4.052016694903  4.053682466871  -0.002844951726  -0.001875918219  -0.017774262157  0.001031174956  0.002018322570  0.003681954664
  29  Al  4.045732294077  6.076377749846  6.081384382612  0.024159281249  -0.002665479577  -0.016397698992  -0.004262593727  0.001380188159  0.006385027499
  30  Al  6.076150580160  4.045609500950  6.075876836919  -0.000916310442  0.003478208983  0.007012000161  0.001153242734  -0.004388051995  0.000880608876
  31  Al  6.079055659521  6.073184209308  4.049642229217  -0.010149484896  0.005951069348  -0.010283545452  0.004057093675  -0.001812169239  -0.000357211176


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)
  -83.307605641834  -0.002449263557  0.000291696167
  -0.002449263557  -83.312353657191  -0.009845969944
  0.000291696167  -0.009845969944  -83.273705707893
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.093360838524  8.098074006230  8.096993395720  0.017907184818  0.000790891551  -0.012799922347  -0.004420247039  -0.001281390988  -0.002004429066
  1  Al  8.096858196517  2.020501137427  2.019028718013  0.019034481581  0.011270263362  0.000942715416  -0.002088558751  -0.002996784237  -0.003980139181
  2  Al  2.021219914987  8.093861648955  2.021647851385  0.008159471749  -0.002589586516  0.015996705713  -0.002517843647  -0.004090153249  -0.002231342850
  3  Al  2.020971079153  2.023126486386  8.098965230829  0.004729154169  -0.001258669475  -0.024146722731  -0.002684317860  -0.001248916849  -0.000692025293
  4  Al  0.001010650155  8.095266535159  4.059628190936  0.015602843984  0.002148682676  -0.027139078820  0.000676542249  -0.003152667119  0.006414997244
  5  Al  0.000866021553  2.024916112294  6.078652339009  -0.002905135177  -0.001846820236  -0.009804964613  0.000576723052  -0.000055907743  0.002435061135
  6  Al  2.023320495417  8.098939333262  6.073595523733  -0.010079859954  0.024199821170  0.002884592567  -0.001120811815  -0.000700159886  -0.000933640112
  7  Al  2.024555569248  2.026343255332  4.053677568126  -0.004027165730  -0.009465199538  0.004489689299  -0.000296388319  0.000894092625  0.002453880944
  8  Al  8.097413197258  4.055814928602  8.091731806073  0.000250743383  -0.016586615422  0.016085246553  -0.001722064365  0.003874786671  -0.005506685767
  9  Al  0.001882528754  6.074223825391  2.024353703263  0.003475791595  -0.001702645542  0.013010927644  0.001255597896  -0.000515608450  -0.000428023348
  10  Al  2.028685398654  4.043047581717  2.023979922904  -0.007208155266  0.044709181671  0.017050933600  0.002456227069  -0.004625275796  -0.000676419930
  11  Al  2.026494389251  6.076988292522  0.006755202725  -0.015398223122  0.002562137871  0.018389146985  0.000994057731  0.001328190863  0.004506649102
  12  Al  8.096534279928  4.052181583958  4.044684782432  0.022919479860  0.004932816235  0.020783101966  -0.002303713348  0.001456533602  -0.003538150522
  13  Al  0.000531346159  6.072813838676  6.069379385372  0.002592092599  0.001319941154  0.010913128050  0.000354641680  -0.001455031205  -0.003742871196
  14  Al  2.024008710056  4.047700401963  6.077481881090  -0.014955029260  -0.017363150722  -0.013027818198  -0.000662932059  -0.001534976096  0.001654192944
  15  Al  2.030958248898  6.075932758728  4.043876990585  -0.026549697019  -0.010635063913  -0.009606769282  0.003967880352  0.000621945909  -0.004082291023
  16  Al  4.056967523529  0.007450061727  8.099640970166  -0.005020213069  0.000522074254  0.021074149337  0.004645277354  0.004966729156  -0.000233085161
  17  Al  4.041627047980  2.018487291841  2.024011990744  0.028523170468  0.012482346694  -0.001941000220  -0.005575159122  -0.004339097162  -0.000658532575
  18  Al  6.080611536145  8.093743830927  2.017545103398  -0.025988434485  -0.004927842746  0.008703312592  0.003737936985  -0.004169108322  -0.004967723203
  19  Al  6.077428459056  2.032293551224  8.090991023240  -0.022510411245  -0.019876659252  -0.001097727656  0.001616547127  0.004858988570  -0.006003725040
  20  Al  4.052182732885  0.007947254466  4.050751240854  -0.011373867904  -0.024975750555  -0.006168496694  0.001454467137  0.005293384314  0.000501113857
  21  Al  4.051597411760  2.022737711994  6.076482971839  0.003078182760  0.009718839390  0.015093468358  0.001066799926  -0.001506015128  0.000993525940
  22  Al  6.075059515375  0.000497557189  6.075814510205  0.004458772744  0.026839840999  0.008996514563  0.000042273812  0.000336599779  0.000546669199
  23  Al  6.080783287906  2.026146275645  4.047838690796  -0.016809524519  -0.000155626795  0.028192101622  0.003854145350  0.000764439196  -0.001434274907
  24  Al  4.051368024818  4.049251559183  0.008119255291  0.010156684411  -0.007647345647  -0.020600247624  0.000915244437  -0.000499062705  0.005408721540
  25  Al  4.047341181292  6.082226530296  2.031846394321  0.002734442860  -0.016380093609  -0.011798954364  -0.001770683349  0.004816726215  0.004562461659
  26  Al  6.071244648035  4.055363401512  2.020003602131  -0.002399149953  0.007875275585  0.007288523740  -0.002502198667  0.003578239235  -0.003329120673
  27  Al  6.072099598260  6.078271940809  0.006578544422  0.005686813946  -0.013802017192  -0.008278271625  -0.001930698369  0.002180786619  0.004383855589
  28  Al  4.051545145252  4.053025772344  4.055522649716  -0.005184875506  -0.002840683655  -0.028429655398  0.001030457121  0.002017900959  0.003677824159
  29  Al  4.043602077105  6.077067724786  6.084576163419  0.034737651569  -0.007001241923  -0.025439911850  -0.004257328490  0.001379323995  0.006381287407
  30  Al  6.076727160574  4.043415630408  6.076317454794  -0.000265903110  0.004296625842  0.008400809585  0.001153137074  -0.004387357040  0.000881986792
  31  Al  6.081083752699  6.072278390691  4.049463163957  -0.013371317179  0.005386274282  -0.018015526171  0.004054991034  -0.001811155734  -0.000359741101


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)
  -83.281666246478  -0.004258689898  0.000500108951
  -0.004258689898  -83.289834345288  -0.017565820430
  0.000500108951  -0.017565820430  -83.220986275154
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.091151515393  8.097433346072  8.095990609009  0.023534723928  0.001266701975  -0.018116307570  -0.004416542449  -0.001281207124  -0.002007193085
  1  Al  8.095814767949  2.019003249047  2.017038690510  0.024749885859  0.013659389328  0.000085858533  -0.002084644595  -0.002994555738  -0.003980047486
  2  Al  2.019961357857  8.091816456525  2.020532894979  0.011846635673  -0.003324210051  0.020062316277  -0.002516055279  -0.004090682203  -0.002228119344
  3  Al  2.019629131580  2.022501971684  8.098618138824  0.007003299325  -0.003341421339  -0.033295054892  -0.002683269161  -0.001249328175  -0.000697160592
  4  Al  0.001349618729  8.093690297604  4.062834476533  0.020176940223  0.002700786907  -0.035186005812  0.000679740980  -0.003152233785  0.006409425843
  5  Al  0.001154253228  2.024888075870  6.079869431329  -0.004255354180  -0.004029151805  -0.011959823766  0.000576082947  -0.000056433055  0.002433115536
  6  Al  2.022759638929  8.098590335033  6.073128832605  -0.012677595264  0.032781248693  0.005217680827  -0.001122846388  -0.000695065864  -0.000932915835
  7  Al  2.024407195072  2.026789878565  4.054904709317  -0.004484161621  -0.013785350597  0.007184907148  -0.000297149244  0.000892014101  0.002454924804
  8  Al  8.096552176261  4.057751580571  8.088979182124  -0.000536836136  -0.022284167124  0.020416115801  -0.001722090053  0.003871311902  -0.005503422929
  9  Al  0.002510483085  6.073965945052  2.024140273167  0.003868908025  -0.000826626410  0.016272879031  0.001256254589  -0.000515834599  -0.000425405424
  10  Al  2.029913190018  4.040736942244  2.023642475101  -0.008626098225  0.059672818020  0.022021651071  0.002454811657  -0.004615944420  -0.000672926913
  11  Al  2.026990729834  6.077652502497  0.009009349322  -0.019680954754  0.004924774707  0.023928703385  0.000990921742  0.001328860273  0.004510432580
  12  Al  8.095383447717  4.052910071273  4.042916636123  0.030214705473  0.006370046893  0.028664148702  -0.002298963339  0.001457544164  -0.003533730203
  13  Al  0.000708782869  6.072086382056  6.067508437538  0.002537987507  0.003216207645  0.015369779057  0.000355100328  -0.001454625771  -0.003740521766
  14  Al  2.023676575533  4.046932137769  6.078308395244  -0.019178754148  -0.023712546129  -0.016666333385  -0.000665983638  -0.001538648333  0.001651538415
  15  Al  2.032941002363  6.076243256307  4.041835415602  -0.034572430556  -0.012924927475  -0.011999497308  0.003962416335  0.000619839703  -0.004084222873
  16  Al  4.059289937864  0.009933449705  8.099525369589  -0.006010975787  0.000824547581  0.027230662950  0.004644291475  0.004966849865  -0.000228766761
  17  Al  4.038840743323  2.016318301160  2.023682637686  0.038432824033  0.015207421259  -0.003800982073  -0.005569173666  -0.004336621998  -0.000659045946
  18  Al  6.082479343012  8.091659056439  2.015061630767  -0.035682512728  -0.006623793178  0.010798771614  0.003732423889  -0.004170141300  -0.004965980053
  19  Al  6.078235726433  2.034722157092  8.087989111574  -0.030962505129  -0.027981832211  -0.002465577122  0.001611766792  0.004854710370  -0.006004043987
  20  Al  4.052909458065  0.010592830284  4.051001522060  -0.014491599899  -0.033359355195  -0.007469988667  0.001452154877  0.005288169541  0.000499894619
  21  Al  4.052130949331  2.021985138839  6.076980409495  0.004921574186  0.011627165253  0.021413007425  0.001067515168  -0.001504106908  0.000996789658
  22  Al  6.075080851587  0.000667056814  6.076088246953  0.004948191319  0.036158785279  0.013049902935  0.000043114791  0.000342231833  0.000548640169
  23  Al  6.082709609251  2.026528488296  4.047122813501  -0.023347719941  -0.001702831046  0.038762004267  0.003850555572  0.000764273101  -0.001428289351
  24  Al  4.051826101049  4.049001685991  0.010822695307  0.014497085203  -0.010551295307  -0.028412576132  0.000917448526  -0.000500689682  0.005404340179
  25  Al  4.046455961823  6.084634161281  2.034127097800  0.004406097232  -0.020364143474  -0.016785273162  -0.001770045105  0.004813441619  0.004559906546
  26  Al  6.069993441429  4.057152873197  2.018339367546  -0.003990912491  0.010600294413  0.008711002812  -0.002502770096  0.003579891170  -0.003327690543
  27  Al  6.071134503249  6.079361717202  0.008770102237  0.006589156042  -0.017090576665  -0.011913909221  -0.001929601032  0.002178024985  0.004382050707
  28  Al  4.052060142063  4.054034595872  4.057360291047  -0.006455110330  -0.003512422693  -0.036858806348  0.001029416581  0.002017333127  0.003671987656
  29  Al  4.041474965566  6.077757073848  6.087765670050  0.046961201942  -0.007828808058  -0.032710921661  -0.004250024947  0.001377998289  0.006376089178
  30  Al  6.077303717240  4.041222143889  6.076758823715  -0.001180406625  0.005431674601  0.011940701713  0.001153007850  -0.004386487622  0.000883805366
  31  Al  6.083110650575  6.071373053565  4.049282488114  -0.018555288156  0.008801596203  -0.023489036427  0.004052137082  -0.001809887466  -0.000363451603


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)
  -83.248712125903  -0.006496158010  0.000809880238
  -0.006496158010  -83.261273843719  -0.027458741543
  0.000809880238  -0.027458741543  -83.153427194047
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.088944296038  8.096792799095  8.094986202618  0.029917497092  0.001605964057  -0.022826826409  -0.004411764452  -0.001280950481  -0.002010853642
  1  Al  8.094773551904  2.017506581664  2.015048670493  0.031080887870  0.017703426444  0.001151552732  -0.002079653644  -0.002991752327  -0.003979937397
  2  Al  2.018703859687  8.089770966717  2.019419732022  0.013919227389  -0.003693727031  0.025845992064  -0.002513752167  -0.004091310151  -0.002224015473
  3  Al  2.018287809968  2.021877158201  8.098268070231  0.007868384220  -0.003638224717  -0.041463157328  -0.002681940003  -0.001249952318  -0.000703844016
  4  Al  0.001690391140  8.092114301347  4.066037616833  0.025415090997  0.003454437979  -0.043998565546  0.000683816966  -0.003151683935  0.006402347659
  5  Al  0.001442104505  2.024859679239  6.081085454566  -0.004937308582  -0.004796733788  -0.016060006247  0.000575261207  -0.000057222090  0.002430610910
  6  Al  2.022197649019  8.098244267392  6.072662607890  -0.016528210628  0.040642228847  0.005882877753  -0.001125457517  -0.000688501951  -0.000931923578
  7  Al  2.024258420001  2.027235269440  4.056132492951  -0.006396103744  -0.016574548038  0.009008969978  -0.000298121972  0.000889300067  0.002456372855
  8  Al  8.095691107190  4.059686240537  8.086228383098  -0.000385911726  -0.027751853612  0.025584165270  -0.001722172778  0.003866839237  -0.005499311275
  9  Al  0.003138783353  6.073707990788  2.023928297835  0.004846627898  -0.001632016870  0.021182401732  0.001257033920  -0.000516054469  -0.000422057006
  10  Al  2.031140210332  4.038431637257  2.023306995986  -0.011760002507  0.074243115878  0.028587536340  0.002452989484  -0.004603973051  -0.000668402578
  11  Al  2.027485311001  6.078317152807  0.011265635343  -0.025201496888  0.005475567626  0.029292774786  0.000986909416  0.001329790235  0.004515191148
  12  Al  8.094235316569  4.053639128135  4.041151052199  0.038108544653  0.007608776051  0.035731997499  -0.002292855598  0.001458794057  -0.003527973708
  13  Al  0.000886446490  6.071359212893  6.065638863574  0.003325714300  0.003593566694  0.018260881505  0.000355624587  -0.001454017177  -0.003737515711
  14  Al  2.023342726412  4.046161753617  6.079133419519  -0.024445192282  -0.029325689613  -0.021855371297  -0.000669883677  -0.001543390120  0.001648094824
  15  Al  2.034920665267  6.076552598436  4.039792767678  -0.044031427078  -0.016753580396  -0.014186258424  0.003955389738  0.000617186549  -0.004086564409
  16  Al  4.061611815044  0.012416911635  8.099412203403  -0.007627446327  0.000799933354  0.033828535801  0.004643072833  0.004966995759  -0.000223308143
  17  Al  4.036057874267  2.014150669805  2.023352944792  0.047797184551  0.019726721532  -0.003719156198  -0.005561465512  -0.004333499493  -0.000659718330
  18  Al  6.084343960066  8.089573689591  2.012579123302  -0.043836962276  -0.007894999738  0.014798356373  0.003725315406  -0.004171439830  -0.004963692355
  19  Al  6.079040225862  2.037148261636  8.084986979202  -0.037807324817  -0.034737588942  -0.002595893320  0.001605619034  0.004849103950  -0.006004497285
  20  Al  4.053634887775  0.013235424052  4.051251135478  -0.018286459764  -0.041701997530  -0.009166962214  0.001449224737  0.005281459819  0.000498407355
  21  Al  4.052664926938  2.021233605073  6.077479761505  0.005933257353  0.015097334115  0.025749873674  0.001068485726  -0.001501717959  0.001001006120
  22  Al  6.075102630166  0.000839789025  6.076363150379  0.006821669377  0.045053471499  0.015218774200  0.000044167014  0.000349492197  0.000551167442
  23  Al  6.084633843511  2.026910548752  4.046410401433  -0.028465737157  -0.001692656849  0.048140382331  0.003845924002  0.000763969649  -0.001420520531
  24  Al  4.052285473352  4.048750869497  0.013523595517  0.017750536098  -0.013235208503  -0.035821254024  0.000920331564  -0.000502816246  0.005398598446
  25  Al  4.045571136172  6.087039971957  2.036406300906  0.005546390190  -0.025908416039  -0.020362242720  -0.001769155597  0.004809305532  0.004556586196
  26  Al  6.068741877918  4.058943292712  2.016675911559  -0.003992082031  0.012826930883  0.012223031939  -0.002503484106  0.003581986027  -0.003325819502
  27  Al  6.070169997212  6.080449965813  0.010960595166  0.008841021434  -0.021878874219  -0.015407002105  -0.001928221844  0.002174541436  0.004379608825
  28  Al  4.052574561841  4.055043105489  4.059194637403  -0.008278699550  -0.004266591911  -0.045733359241  0.001028099527  0.002016637960  0.003664604468
  29  Al  4.039352052122  6.078445723086  6.090952252652  0.057978151130  -0.010275172082  -0.041400655198  -0.004240644014  0.001376379991  0.006369464512
  30  Al  6.077880168434  4.039029142748  6.077201260167  -0.000799815379  0.007226267580  0.013361020245  0.001152830974  -0.004385356600  0.000886067440
  31  Al  6.085135889815  6.070468503209  4.049099712351  -0.022370003818  0.010700137338  -0.029252413947  0.004048478934  -0.001808144268  -0.000368166700


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)
  -83.208747244124  -0.009373333168  0.001016917487
  -0.009373333168  -83.226217006967  -0.039379286654
  0.001016917487  -0.039379286654  -83.070846041818
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.086739750883  8.096152395574  8.093979755341  0.034143849440  0.002090832465  -0.029039337976  -0.004406038477  -0.001280620299  -0.002015490925
  1  Al  8.093735114278  2.016011496681  2.013058753061  0.035132786373  0.019156851394  -0.000641777674  -0.002073734690  -0.002988457766  -0.003979892783
  2  Al  2.017447605657  8.087725146319  2.018308879476  0.018775421426  -0.004247277303  0.028970231151  -0.002510829895  -0.004092021058  -0.002219115478
  3  Al  2.016947191541  2.021252019349  8.097914294798  0.011331254191  -0.006514051715  -0.051406338325  -0.002680224216  -0.001250860226  -0.000712146653
  4  Al  0.002033435705  8.090538613627  4.069236824277  0.028564059825  0.004029949251  -0.051289350960  0.000688642829  -0.003151015597  0.006393830531
  5  Al  0.001729514442  2.024830853779  6.082300042272  -0.007685272521  -0.008089655128  -0.017387620782  0.000574132896  -0.000058374138  0.002427621302
  6  Al  2.021634181397  8.097901833073  6.072196909014  -0.017823996028  0.049194216471  0.009303688391  -0.001128528852  -0.000680470802  -0.000930566135
  7  Al  2.024109073096  2.027679178644  4.057361082205  -0.005555038124  -0.021880353355  0.012766338194  -0.000299190468  0.000885862441  0.002458320145
  8  Al  8.094830003461  4.061618419860  8.083479870776  -0.002540807270  -0.033193633806  0.029190840222  -0.001722434840  0.003861391686  -0.005494415755
  9  Al  0.003767517022  6.073449890576  2.023718216156  0.003739092200  0.000020103498  0.023478885082  0.001257801781  -0.000516198697  -0.000418064420
  10  Al  2.032366179534  4.036132969132  2.022974072515  -0.012318389961  0.089203489448  0.032577684225  0.002450837484  -0.004589362150  -0.000662934612
  11  Al  2.027977639263  6.078982292750  0.013524540529  -0.028170404124  0.008467093657  0.033785030810  0.000982138243  0.001331037020  0.004520831348
  12  Al  8.093090592089  4.054368865349  4.039388662368  0.043835142431  0.008998112503  0.044413847913  -0.002285530443  0.001460279053  -0.003520809577
  13  Al  0.001064407460  6.070632364859  6.063770921778  0.001320999896  0.006414790353  0.023695946732  0.000356040085  -0.001453122788  -0.003733765702
  14  Al  2.023006691847  4.045388747628  6.079956490090  -0.027095917301  -0.035733322898  -0.024542482843  -0.000674491578  -0.001549206722  0.001643947286
  15  Al  2.036896392153  6.076860442864  4.037748851139  -0.050829793946  -0.017982111811  -0.015563852533  0.003946910166  0.000614081351  -0.004089225033
  16  Al  4.063933010759  0.014900445530  8.099302061443  -0.007143783613  0.000760973695  0.039247104894  0.004641753416  0.004967136501  -0.000216775286
  17  Al  4.033279277737  2.011984801610  2.023022919347  0.059202595443  0.021423103311  -0.006529818739  -0.005551901149  -0.004329821773  -0.000660634740
  18  Al  6.086204658467  8.087487616554  2.010097938347  -0.054839520889  -0.009449517780  0.016247828713  0.003716494697  -0.004172991424  -0.004960918045
  19  Al  6.079841345489  2.039571261107  8.081984614210  -0.047137768336  -0.044019473095  -0.004279033344  0.001598025390  0.004842064295  -0.006005113347
  20  Al  4.054358682820  0.015874290173  4.051499929421  -0.020083441217  -0.050345901818  -0.009807407050  0.001445794844  0.005273232076  0.000496711180
  21  Al  4.053199435071  2.020483420860  6.077981415627  0.008919778663  0.016406055012  0.032867828667  0.001069813834  -0.001498901941  0.001006246742
  22  Al  6.075125018602  0.001016549016  6.076639414402  0.006280423004  0.053983133620  0.020074475280  0.000045338342  0.000358346084  0.000554322766
  23  Al  6.086555533305  2.027292457955  4.045702292951  -0.036139571834  -0.004042675409  0.059337286824  0.003840149261  0.000763457099  -0.001410912446
  24  Al  4.052746432625  4.048498869738  0.016221293825  0.023257521128  -0.016182535216  -0.044825512757  0.000923997877  -0.000505446293  0.005391389985
  25  Al  4.044686806203  6.089443466877  2.038683684057  0.008958644833  -0.028606517140  -0.026383580188  -0.001767859284  0.004804433095  0.004552408252
  26  Al  6.067489957289  4.060734859272  2.015013548000  -0.006468686063  0.015368562470  0.013062488674  -0.002504419895  0.003584507549  -0.003323559796
  27  Al  6.069206281380  6.081536258667  0.013149711120  0.008463704551  -0.024189613351  -0.020321585369  -0.001926675279  0.002170423471  0.004376415771
  28  Al  4.053088241604  4.056051233859  4.061024895564  -0.007925345448  -0.004722199547  -0.052858690086  0.001026651145  0.002015834854  0.003655791293
  29  Al  4.037234321495  6.079133453857  6.094135134646  0.071537726496  -0.010250015885  -0.047492232686  -0.004229066410  0.001374545386  0.006361519087
  30  Al  6.078456548230  4.036836787231  6.077644891167  -0.002909207830  0.008823408207  0.017160834847  0.001152499668  -0.004383922828  0.000888796286
  31  Al  6.087159129563  6.069564909273  4.048914321409  -0.028796055396  0.015108179901  -0.033811719310  0.004043905701  -0.001805837459  -0.000373804677


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)
  -83.161897880510  -0.012594528564  0.001506215448
  -0.012594528564  -83.184933610149  -0.053659511237
  0.001506215448  -0.053659511237  -82.972938754545
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.084538257477  8.095512178772  8.092970711655  0.042386011329  0.002247294420  -0.032955764361  -0.004399198497  -0.001280232979  -0.002021034038
  1  Al  8.092699817175  2.014518123841  2.011068777634  0.043406538233  0.024071057041  0.001157973444  -0.002066714146  -0.002984594399  -0.003979848204
  2  Al  2.016193029745  8.085678945581  2.017200616502  0.019656235922  -0.004839750591  0.035464122595  -0.002507395121  -0.004092835045  -0.002213355967
  3  Al  2.015607585701  2.020626297951  8.097555923565  0.010600646587  -0.005945479740  -0.058863431596  -0.002678264576  -0.001251974592  -0.000722004974
  4  Al  0.002379033983  8.088963285690  4.072431447486  0.035593340194  0.004304361256  -0.060803740449  0.000694378727  -0.003150271757  0.006383812007
  5  Al  0.002016237412  2.024801305100  6.083513075915  -0.006394591752  -0.008039430783  -0.022238159238  0.000572874392  -0.000059816090  0.002424079742
  6  Al  2.021069120146  8.097563796576  6.071732041737  -0.022822182713  0.056992355720  0.009077132947  -0.001132163036  -0.000670978065  -0.000928923269
  7  Al  2.023959229528  2.028121131898  4.058590813142  -0.008611554568  -0.023850792539  0.014052468931  -0.000300457069  0.000881774458  0.002460718696
  8  Al  8.093968672317  4.063547632297  8.080733967238  -0.000512224062  -0.038453128331  0.034693825316  -0.001722708457  0.003854988038  -0.005488706676
  9  Al  0.004396585158  6.073191792081  2.023510233407  0.006259079508  -0.001493066346  0.029228531666  0.001258696106  -0.000516330583  -0.000413352579
  10  Al  2.033591047863  4.033842275020  2.022644061362  -0.016672326150  0.104117415205  0.040092354037  0.002448246701  -0.004572081206  -0.000656438222
  11  Al  2.028467449263  6.079648189852  0.015786466777  -0.034802239296  0.007900242638  0.040026721550  0.000976508920  0.001332500773  0.004527431849
  12  Al  8.091949786083  4.055099407215  4.037630242555  0.053399019577  0.010406725733  0.050817536172  -0.002276838678  0.001462014407  -0.003512297346
  13  Al  0.001242486582  6.069906090077  6.061905097801  0.003530759585  0.005774292741  0.025569418087  0.000356473970  -0.001452033665  -0.003729362884
  14  Al  2.022668234821  4.044612546865  6.080777366836  -0.033671850660  -0.041199931256  -0.030477843388  -0.000679924439  -0.001556085112  0.001639029155
  15  Al  2.038867575508  6.077166679799  4.035703542567  -0.061485999291  -0.022561451507  -0.018392728534  0.003936870769  0.000610457027  -0.004092262340
  16  Al  4.066253568547  0.017384048230  8.099195428113  -0.010235338234  0.000231849381  0.046681778537  0.004640201564  0.004967227217  -0.000209093389
  17  Al  4.030505973012  2.009820847950  2.022692310039  0.066510089189  0.026700839918  -0.005628334697  -0.005540664711  -0.004325521233  -0.000661721931
  18  Al  6.088060454834  8.085400698088  2.007618205163  -0.061836155917  -0.011245984044  0.021242268357  0.003706065438  -0.004174843232  -0.004957568412
  19  Al  6.080638251282  2.041990326022  8.078981865741  -0.052722835799  -0.050127286411  -0.003841894353  0.001589098552  0.004833649549  -0.006005841719
  20  Al  4.055080682646  0.018508656228  4.051747846667  -0.025828696231  -0.058998287190  -0.012269486699  0.001441690901  0.005263458861  0.000494737717
  21  Al  4.053734740792  2.019734703103  6.078486008266  0.008391881816  0.020894034929  0.036347368677  0.001071361906  -0.001495567930  0.001012434929
  22  Al  6.075147968510  0.001198135115  6.076917473155  0.009256687491  0.062713864336  0.021482859996  0.000046727367  0.000368778855  0.000558038181
  23  Al  6.088473992845  2.027674005865  4.044999488961  -0.040075494237  -0.003104890490  0.068237452186  0.003833337201  0.000762818412  -0.001399507910
  24  Al  4.053209471247  4.048245423194  0.018914985604  0.024849317202  -0.018596768893  -0.051804845915  0.000928298959  -0.000508555738  0.005382753423
  25  Al  4.043803276854  6.091844405143  2.040958709244  0.008475633261  -0.034900852586  -0.029280663468  -0.001766301368  0.004798757475  0.004547433702
  26  Al  6.066237457975  4.062527800329  2.013352351700  -0.005164424671  0.018161466505  0.017830836402  -0.002505460874  0.003587506522  -0.003320799265
  27  Al  6.068243321897  6.082620389325  0.015337011021  0.011684929822  -0.029749932721  -0.023177704350  -0.001924874764  0.002165602168  0.004372528690
  28  Al  4.053601213006  4.057058940381  4.062850428765  -0.011370550664  -0.004895477959  -0.062253632117  0.001024926510  0.002014975835  0.003645501772
  29  Al  4.035122985632  6.079820268498  6.097313771860  0.080646508833  -0.013570762825  -0.056705611020  -0.004215462912  0.001372416367  0.006352206380
  30  Al  6.079032668124  4.034645219837  6.078090056470  -0.001302992153  0.010930535623  0.017278516495  0.001152123555  -0.004382158567  0.000891875490
  31  Al  6.089179795593  6.068662665716  4.048725907666  -0.031137222152  0.016126938770  -0.040587325210  0.004038549302  -0.001803045773  -0.000380456047


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)
  -83.107579631100  -0.016227480183  0.001728108694
  -0.016227480183  -83.137139489780  -0.070024577814
  0.001728108694  -0.070024577814  -82.860213849552
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.082340552272  8.094872162562  8.091958721251  0.047340108332  0.003013172984  -0.037767314209  -0.004391179689  -0.001279763466  -0.002027357848
  1  Al  8.091668400078  2.013026902205  2.009078904754  0.048261316925  0.026917033738  0.000152342296  -0.002058520346  -0.002980037893  -0.003979733456
  2  Al  2.014940210471  8.083632311169  2.016095523453  0.023244455770  -0.004636763199  0.039156950704  -0.002503561336  -0.004093684699  -0.002206686225
  3  Al  2.014268926895  2.020000044725  8.097192289806  0.012677736522  -0.007601354121  -0.067053301761  -0.002676185115  -0.001253186422  -0.000733262277
  4  Al  0.002727814450  8.087388341788  4.075620636449  0.039313012797  0.005059816290  -0.069462668410  0.000701075721  -0.003149436500  0.006372170118
  5  Al  0.002302388849  2.024771037688  6.084724122076  -0.008325707676  -0.010335943519  -0.024343342426  0.000571558752  -0.000061458872  0.002419916846
  6  Al  2.020502018331  8.097230854991  6.071267985721  -0.025033479645  0.065367217739  0.011893404990  -0.001136441980  -0.000660039607  -0.000927049076
  7  Al  2.023808616019  2.028560953124  4.059821800964  -0.008935508230  -0.027788543494  0.016199781177  -0.000302025945  0.000877158467  0.002463424706
  8  Al  8.093107294959  4.065473407997  8.077991163958  -0.001847152173  -0.044122454434  0.039622126499  -0.001722920420  0.003847608156  -0.005482066181
  9  Al  0.005026213160  6.072933559981  2.023304863567  0.005406957524  -0.001011716716  0.032196743355  0.001259739798  -0.000516554819  -0.000407861450
  10  Al  2.034814426298  4.031560887808  2.022317634275  -0.018582385668  0.118248317266  0.045027161533  0.002445096426  -0.004552204612  -0.000648828991
  11  Al  2.028954148208  6.080314793557  0.018051972495  -0.038717763674  0.009529469895  0.045173171340  0.000969936870  0.001334059778  0.004535051383
  12  Al  8.090813753352  4.055830879794  4.035876364932  0.059883884209  0.011275285883  0.057877515517  -0.002266712634  0.001463953643  -0.003502582195
  13  Al  0.001420881439  6.069180331156  6.060041558797  0.002299614792  0.007350913098  0.030174326204  0.000356995415  -0.001450861154  -0.003724381674
  14  Al  2.022326767390  4.043832662477  6.081595519287  -0.037437944434  -0.047283432169  -0.033880386512  -0.000686282015  -0.001563996399  0.001633276559
  15  Al  2.040833263023  6.077470899907  4.033656588694  -0.069439068770  -0.025092633884  -0.020301529751  0.003925168525  0.000606197152  -0.004095724040
  16  Al  4.068573212442  0.019867672875  8.099092968049  -0.010139721011  0.000251726752  0.053240056178  0.004638382838  0.004967273435  -0.000200160572
  17  Al  4.027738612883  2.007659280266  2.022361197399  0.077053495825  0.029719891330  -0.007680478638  -0.005527833557  -0.004320479859  -0.000662912128
  18  Al  6.089910724001  8.083312773215  2.005140369807  -0.071608683690  -0.012354254438  0.023554196165  0.003694137789  -0.004176955587  -0.004953566620
  19  Al  6.081430444082  2.044404910780  8.075978772336  -0.060958418942  -0.058566317263  -0.003754696960  0.001578936482  0.004823935322  -0.006006524460
  20  Al  4.055800373759  0.021137749169  4.051994667151  -0.028274118464  -0.067268755650  -0.014056445382  0.001436855014  0.005252173839  0.000492384494
  21  Al  4.054270797005  2.018987852892  6.078993850582  0.010941992619  0.023228642268  0.042703447799  0.001073090985  -0.001491624292  0.001019502626
  22  Al  6.075171745970  0.001385327880  6.077197452598  0.009615450160  0.071859020577  0.025615463411  0.000048414551  0.000380809800  0.000562249075
  23  Al  6.090388870605  2.028055276387  4.044302785006  -0.046695800393  -0.004339759737  0.077812741731  0.003825582212  0.000762153324  -0.001386451965
  24  Al  4.053674731608  4.047990313987  0.021604047387  0.029652540696  -0.021842623166  -0.059652163493  0.000933171945  -0.000512171297  0.005372792480
  25  Al  4.042920504789  6.094242224475  2.043231117876  0.011561032498  -0.038723550385  -0.034851563077  -0.001764511166  0.004792178389  0.004541703059
  26  Al  6.064984496350  4.064322365887  2.011692748649  -0.006254849710  0.020229028338  0.019816754219  -0.002506483256  0.003590940763  -0.003317435593
  27  Al  6.067281406566  6.083701860891  0.017522239923  0.012283336861  -0.033070716771  -0.026956461680  -0.001922733175  0.002159987348  0.004368049359
  28  Al  4.054113168140  4.058066209746  4.064670397430  -0.011657695491  -0.005450017664  -0.070535381574  0.001022868417  0.002014052167  0.003633632718
  29  Al  4.033018858474  6.080505870259  6.100487341190  0.092894313441  -0.014606543991  -0.063107690720  -0.004199951017  0.001369898160  0.006341498973
  30  Al  6.079608671814  4.032454628551  6.078536766680  -0.002336542635  0.012622433895  0.019765109230  0.001151798876  -0.004380055583  0.000895187701
  31  Al  6.091197678968  6.067761863454  4.048533865352  -0.036184408364  0.019423410545  -0.046577867755  0.004032533222  -0.001799868680  -0.000388248784


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)
  -83.047125451347  -0.020301316267  0.002356358754
  -0.020301316267  -83.083087863166  -0.088452542617
  0.002356358754  -0.088452542617  -82.732197299060
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.080147077641  8.094232415263  8.090943353739  0.055090917843  0.003343632772  -0.041906857462  -0.004382026249  -0.001279196287  -0.002034482430
  1  Al  8.090641296760  2.011538085848  2.007089044045  0.055831505472  0.031287871416  0.001551012444  -0.002049216311  -0.002974837009  -0.003979584643
  2  Al  2.013689468324  8.081585260744  2.014993930203  0.024679406766  -0.004788554057  0.044964624158  -0.002499279156  -0.004094530881  -0.002199167735
  3  Al  2.012931400496  2.019373111487  8.096822661263  0.012522238839  -0.007563457187  -0.074551713633  -0.002673934585  -0.001254543238  -0.000745922308
  4  Al  0.003080109727  8.085813849085  4.078803617818  0.045664534751  0.005703421639  -0.079044256791  0.000708673267  -0.003148477017  0.006358899249
  5  Al  0.002587796183  2.024739846227  6.085932992841  -0.007677304876  -0.010898847323  -0.028737600373  0.000570128591  -0.000063357301  0.002415173553
  6  Al  2.019932678128  8.096903756947  6.070804992630  -0.029367294592  0.073341616281  0.012577035694  -0.001141306362  -0.000647639706  -0.000924862242
  7  Al  2.023657203573  2.028998290394  4.061054237931  -0.011516059863  -0.030191312238  0.017691132392  -0.000303854564  0.000871975871  0.002466456676
  8  Al  8.092245751840  4.067395240582  8.075251900873  -0.000525974047  -0.049323617339  0.045145219690  -0.001723134076  0.003839257491  -0.005474492812
  9  Al  0.005656324999  6.072675237245  2.023102371943  0.007255341558  -0.002132777029  0.037086448402  0.001260872897  -0.000516836384  -0.000401667935
  10  Al  2.036036144370  4.029290070255  2.021995232349  -0.022540266329  0.133001579544  0.051911844566  0.002441422218  -0.004529747005  -0.000640163275
  11  Al  2.029437386166  6.080982249675  0.020321518312  -0.044700258126  0.009328146497  0.051212209198  0.000962480200  0.001335746798  0.004543672120
  12  Al  8.089683073373  4.056563360908  4.034127660243  0.068853959904  0.011995277865  0.064287841699  -0.002255205532  0.001466035291  -0.003491663745
  13  Al  0.001599482009  6.068455228874  6.058180716001  0.003495982547  0.007324431383  0.032876330464  0.000357513849  -0.001449550452  -0.003718748232
  14  Al  2.021981952784  4.043048550414  6.082410643450  -0.043082470069  -0.053089594964  -0.039330242719  -0.000693481083  -0.001572971042  0.001626733001
  15  Al  2.042792744164  6.077772876972  4.031607818389  -0.079330005256  -0.029128962639  -0.022822232635  0.003911872089  0.000601350306  -0.004099582842
  16  Al  4.070891951541  0.022351321832  8.098995267534  -0.012603600943  -0.000255981269  0.060624283868  0.004636353639  0.004967277380  -0.000189981352
  17  Al  4.024978139270  2.005500367946  2.022029397889  0.084862714710  0.034510555924  -0.007468528460  -0.005513363171  -0.004314741463  -0.000664267016
  18  Al  6.091754592747  8.081223742361  2.002664638377  -0.079171818499  -0.013831016729  0.028197702507  0.003680661332  -0.004179300170  -0.004948944349
  19  Al  6.082217187817  2.046814261506  8.072975341079  -0.066943444882  -0.065377544288  -0.003221500109  0.001567503517  0.004812859025  -0.006007153358
  20  Al  4.056517537708  0.023760830243  4.052240231177  -0.033441316054  -0.075924332471  -0.016500461918  0.001431338947  0.005239377048  0.000489653156
  21  Al  4.054807831814  2.018243078761  6.079505510927  0.011012738113  0.027433708697  0.046766562954  0.001075054658  -0.001487096411  0.001027502072
  22  Al  6.075196383062  0.001578944928  6.077479722249  0.012039341612  0.080694566011  0.027549200438  0.000050350517  0.000394448318  0.000567002449
  23  Al  6.092299575185  2.028436159215  4.043613036949  -0.051034829995  -0.003842147244  0.086858707318  0.003816848491  0.000761422531  -0.001371731656
  24  Al  4.054142643224  4.047733251880  0.024287778264  0.031779987635  -0.024468105474  -0.066895697304  0.000938664785  -0.000516311891  0.005361483866
  25  Al  4.042038765629  6.096636583693  2.045500412456  0.011810096450  -0.044322308164  -0.038607159763  -0.001762423340  0.004784758319  0.004535139854
  26  Al  6.063730974634  4.066118741212  2.010034915995  -0.005321615736  0.022623867386  0.024146508531  -0.002507520367  0.003594774910  -0.003313508196
  27  Al  6.066320588657  6.084780376745  0.019705060527  0.014902981827  -0.038188615122  -0.030229724538  -0.001920304411  0.002153618693  0.004362940757
  28  Al  4.054624081457  4.059072992616  4.066484061605  -0.014452361086  -0.005627913271  -0.079381632454  0.001020535086  0.002013063561  0.003620233403
  29  Al  4.030923034474  6.081190166704  6.103655271046  0.102427218968  -0.017492341377  -0.071510409012  -0.004182493062  0.001367029734  0.006329469729
  30  Al  6.080184467038  4.030265164108  6.078985244202  -0.001341414581  0.014661433842  0.019972113984  0.001151471072  -0.004377620238  0.000898740962
  31  Al  6.093212328951  6.066862796975  4.048337658869  -0.039178932059  0.021197318925  -0.053210761133  0.004025799303  -0.001796238782  -0.000397170158


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)
  -82.978972280912  -0.024658608900  0.002856922762
  -0.024658608900  -83.022842917597  -0.108781681383
  0.002856922762  -0.108781681383  -82.589793587297
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.077958525837  8.093592966221  8.089924238734  0.059074081840  0.005177876162  -0.047245274434  -0.004371825281  -0.001278436019  -0.002042455036
  1  Al  8.089619183680  2.010052065070  2.005099319942  0.059282457365  0.033587768313  -0.000026607467  -0.002038927681  -0.002969040773  -0.003979453182
  2  Al  2.012440931209  8.079537780114  2.013896355625  0.030403377424  -0.003287349353  0.048237321915  -0.002494357818  -0.004095257821  -0.002190838206
  3  Al  2.011594992197  2.018745501434  8.096446367466  0.016636795214  -0.009735122995  -0.083138620711  -0.002671331025  -0.001256091239  -0.000760020623
  4  Al  0.003436487747  8.084239864638  4.081979535968  0.048308724962  0.007358953635  -0.087188636816  0.000717075272  -0.003147313063  0.006344045841
  5  Al  0.002872517465  2.024707680384  6.087139295731  -0.010640242279  -0.013918834807  -0.030494974432  0.000568491705  -0.000065576062  0.002409881125
  6  Al  2.019360711921  8.096583215257  6.070343123440  -0.029307555935  0.082648767522  0.015871704705  -0.001146553237  -0.000633695054  -0.000922320064
  7  Al  2.023504761442  2.029432929032  4.062288257745  -0.009413871312  -0.034724435753  0.020484923612  -0.000305726054  0.000866173502  0.002469872578
  8  Al  8.091384160810  4.069312665651  8.072516670914  -0.003119131594  -0.055947878925  0.049564032176  -0.001723462033  0.003829850939  -0.005466032499
  9  Al  0.006287086110  6.072416723574  2.022903195615  0.005121543181  -0.001073110259  0.039643523196  0.001261980909  -0.000517123615  -0.000394808813
  10  Al  2.037255848619  4.027031140611  2.021677470974  -0.022331018969  0.145936049388  0.056462445634  0.002437413712  -0.004504815653  -0.000630475460
  11  Al  2.029916628449  6.081650540412  0.022595644807  -0.046309913314  0.011328082837  0.055550037769  0.000954345117  0.001337595069  0.004553222098
  12  Al  8.088558547725  4.057296915147  4.032384701040  0.074072842889  0.011837691405  0.071958034472  -0.002242430702  0.001468167718  -0.003479487683
  13  Al  0.001778395302  6.067730780643  6.056322810407  0.000750001461  0.009397802405  0.037744940702  0.000357893870  -0.001448057251  -0.003712439241
  14  Al  2.021633286278  4.042259691368  6.083222252357  -0.044390112027  -0.060137487254  -0.042394199464  -0.000701301914  -0.001583095373  0.001619428860
  15  Al  2.044745135278  6.078072250238  4.029557005678  -0.085129670302  -0.030956269849  -0.023835151563  0.003897174241  0.000595979454  -0.004103758947
  16  Al  4.073209566278  0.024834950466  8.098902986689  -0.011410091498  0.000373070678  0.066604273352  0.004634212447  0.004967293864  -0.000178607433
  17  Al  4.022225249478  2.003344538620  2.021696930355  0.096573593468  0.036987572882  -0.009686203914  -0.005497149564  -0.004308354804  -0.000665801442
  18  Al  6.093591385489  8.079133472868  2.000191425248  -0.091201565815  -0.013671856040  0.030546551933  0.003665434522  -0.004181763971  -0.004943698646
  19  Al  6.082997947665  2.049217770009  8.069971618723  -0.077013861069  -0.074423370571  -0.003165238620  0.001554635727  0.004800366746  -0.006007731605
  20  Al  4.057231712766  0.026377126439  4.052484320327  -0.034824459474  -0.083279126981  -0.017851847434  0.001425237765  0.005225150710  0.000486582675
  21  Al  4.055345851708  2.017500756418  6.080021352698  0.014576271467  0.029460494076  0.053326263017  0.001077343601  -0.001482011908  0.001036451549
  22  Al  6.075222096489  0.001779776215  6.077764455071  0.010178537578  0.090540626722  0.031905531953  0.000052336842  0.000409757109  0.000572318350
  23  Al  6.094205719258  2.028816698951  4.042931053291  -0.059965918501  -0.005610342060  0.096685669584  0.003806929721  0.000760578407  -0.001355324572
  24  Al  4.054613396432  4.047474002075  0.026965531480  0.037690197084  -0.028697962032  -0.075634917468  0.000944876510  -0.000521065528  0.005348748217
  25  Al  4.041158081374  6.099026982997  2.047766257923  0.016367336456  -0.047380048658  -0.044630807339  -0.001759906431  0.004776565984  0.004527703928
  26  Al  6.062476975877  4.067917140950  2.008379240313  -0.008379247030  0.023465334169  0.026023614751  -0.002508748252  0.003598899609  -0.003309027034
  27  Al  6.065361102074  6.085855479675  0.021885180865  0.013105493891  -0.041132229161  -0.035055065528  -0.001917802798  0.002146530070  0.004357109625
  28  Al  4.055133703270  4.060079273392  4.068290630987  -0.013452273375  -0.007020348037  -0.086821971659  0.001018041667  0.002011935253  0.003605379296
  29  Al  4.028836365235  6.081872900052  6.106816811187  0.115830912496  -0.018016452706  -0.077221564955  -0.004162985995  0.001363856928  0.006316180855
  30  Al  6.080760142935  4.028077008128  6.079435507680  -0.004606785865  0.015825573646  0.022355556738  0.001150940701  -0.004374900022  0.000902526116
  31  Al  6.095223478442  6.065965624595  4.048136695178  -0.046476448416  0.025086561603  -0.058573343708  0.004018146645  -0.001792103209  -0.000407164064


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)
  -82.904716120075  -0.029711603955  0.003497671381
  -0.029711603955  -82.956070882474  -0.131566691536
  0.003497671381  -0.131566691536  -82.431983529485
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.075775252131  8.092953979177  8.088900898596  0.066084460460  0.005048890199  -0.051881464777  -0.004360643317  -0.001277523837  -0.002051320234
  1  Al  8.088602368972  2.008569044920  2.003109590655  0.065933297018  0.037798630403  0.000720150539  -0.002027736797  -0.002962663716  -0.003979397669
  2  Al  2.011195110375  8.077490002709  2.012803091883  0.031501669666  -0.003703928667  0.053306496391  -0.002488827614  -0.004095889515  -0.002181763826
  3  Al  2.010260069331  2.018117020182  8.096062640600  0.016001892461  -0.010044103756  -0.091049110973  -0.002668417504  -0.001257861537  -0.000775594134
  4  Al  0.003797185037  8.082666535857  4.085147663991  0.053799877036  0.007189698380  -0.096053603136  0.000726204885  -0.003146017555  0.006327674447
  5  Al  0.003156287918  2.024674270161  6.088342874092  -0.010553764343  -0.014989198452  -0.034388188282  0.000566597902  -0.000068160529  0.002404084542
  6  Al  2.018786124831  8.096270061860  6.069882672518  -0.033709640373  0.089888781508  0.017225074850  -0.001152188804  -0.000618271341  -0.000919362737
  7  Al  2.023351477502  2.029864463942  4.063524110638  -0.012173736520  -0.037156011613  0.022626343834  -0.000307656471  0.000859748849  0.002473730725
  8  Al  8.090522289716  4.071225091721  8.069785868089  -0.002467005558  -0.060567966922  0.054487834773  -0.001723964241  0.003819440742  -0.005456739242
  9  Al  0.006918305974  6.072158113604  2.022707563110  0.005898587704  -0.001899860668  0.044086198370  0.001262968160  -0.000517390239  -0.000387324073
  10  Al  2.038473558209  4.024785254367  2.021364756856  -0.026781171530  0.160929048635  0.063120225375  0.002433027088  -0.004477389455  -0.000619785874
  11  Al  2.030391731332  6.082319844814  0.024874740648  -0.052327140177  0.011301154849  0.060567375100  0.000945528583  0.001339620290  0.004563610345
  12  Al  8.087440642554  4.058031528702  4.030648172378  0.082435919519  0.013147525646  0.078823743449  -0.002228442575  0.001470403775  -0.003466013562
  13  Al  0.001957375898  6.067007171548  6.054468276566  0.000977880306  0.009651352845  0.040676796393  0.000358048925  -0.001446356630  -0.003705434442
  14  Al  2.021280650833  4.041465454958  6.084030072396  -0.050250568575  -0.065197662855  -0.047476776337  -0.000709763874  -0.001594302837  0.001611397094
  15  Al  2.046689918609  6.078368856457  4.027504059227  -0.095492561801  -0.034834016567  -0.025273016274  0.003881033084  0.000590098817  -0.004108155878
  16  Al  4.075526164230  0.027318615956  8.098816660092  -0.012874003047  -0.001033495799  0.073188928905  0.004632049021  0.004967242923  -0.000166110301
  17  Al  4.019480989418  2.001192012917  2.021363596412  0.105019450614  0.041336697987  -0.009997709969  -0.005479136239  -0.004301359690  -0.000667562257
  18  Al  6.095420027461  8.077041978171  1.997720939472  -0.098541349233  -0.015466375844  0.034812107491  0.003648477604  -0.004184375729  -0.004937863685
  19  Al  6.083771823626  2.051614628502  8.066967609160  -0.082603774224  -0.081960092030  -0.002660398537  0.001540368548  0.004786393992  -0.006008262209
  20  Al  4.057942775548  0.028985981226  4.052726813878  -0.039147428568  -0.092490448450  -0.019664012718  0.001418627050  0.005209445543  0.000483229575
  21  Al  4.055885175471  2.016761066776  6.080541962530  0.015410052066  0.033326581316  0.057889827453  0.001080026116  -0.001476401201  0.001046395887
  22  Al  6.075248719907  0.001988702058  6.078052040628  0.012683620036  0.098531679227  0.034406691554  0.000054380789  0.000426660720  0.000578247553
  23  Al  6.096106505106  2.029196737662  4.042257712307  -0.064050558856  -0.005531281222  0.105990172529  0.003795848935  0.000759583593  -0.001337207692
  24  Al  4.055087519783  4.047212186325  0.029636526761  0.040476758490  -0.030840360306  -0.083762129383  0.000951866127  -0.000526389065  0.005334506945
  25  Al  4.040278859106  6.101413149927  2.050028116621  0.017782840272  -0.052429764226  -0.049042960904  -0.001756856297  0.004767650840  0.004519336937
  26  Al  6.061222226251  4.069717641009  2.006725888789  -0.006774371400  0.026302784772  0.030218626903  -0.002510107067  0.003603354715  -0.003304004409
  27  Al  6.064402785759  6.086926906928  0.024062170379  0.015767407064  -0.045673744027  -0.039265914166  -0.001915224706  0.002138773172  0.004350472482
  28  Al  4.055642123177  4.061084927974  4.070089441090  -0.015616264946  -0.006403873860  -0.094791868950  0.001015444618  0.002010738417  0.003589149014
  29  Al  4.026760048261  6.082554023703  6.109971452231  0.125859501584  -0.020362162995  -0.084684412012  -0.004141385816  0.001360428128  0.006301716864
  30  Al  6.081335407800  4.025890263857  6.079887770365  -0.003329012134  0.018865931377  0.022475798839  0.001150233123  -0.004371805758  0.000906535482
  31  Al  6.097230475805  6.065070693672  4.047930494784  -0.048940863011  0.027265591113  -0.064630826331  0.004009622950  -0.001787425883  -0.000418179102


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)
  -82.823356434472  -0.034805542463  0.004120622130
  -0.034805542463  -82.883149445384  -0.155863675002
  0.004120622130  -0.155863675002  -82.259987554995
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.073597882245  8.092315442304  8.087872918371  0.071567321335  0.005825488862  -0.057345983572  -0.004348346652  -0.001276554405  -0.002061089484
  1  Al  8.087591446755  2.007089401166  2.001119922022  0.070862177787  0.040900662206  0.000177574464  -0.002015511700  -0.002955634380  -0.003979325918
  2  Al  2.009952103438  8.075441890340  2.011714591660  0.035304301527  -0.002928545184  0.057333313641  -0.002482860521  -0.004096491208  -0.002171877359
  3  Al  2.008926574525  2.017487639817  8.095670773283  0.018130335938  -0.011422272257  -0.099602830440  -0.002665371806  -0.001259783306  -0.000792639957
  4  Al  0.004162692678  8.081093846885  4.088307210815  0.057738126153  0.007857454647  -0.104185194019  0.000736177866  -0.003144679072  0.006309786746
  5  Al  0.003439115403  2.024639519851  6.089543380425  -0.012040676318  -0.017222614703  -0.037142817379  0.000564579184  -0.000071040391  0.002397694852
  6  Al  2.018208523044  8.095964943877  6.069423760644  -0.035315916741  0.097912748900  0.019804528728  -0.001158362109  -0.000601483321  -0.000916054278
  7  Al  2.023197104951  2.030292677935  4.064761988626  -0.012031330026  -0.040750973096  0.025570177955  -0.000309821047  0.000852785850  0.002478044751
  8  Al  8.089660196460  4.073132106634  8.067059931327  -0.003633616023  -0.066003066088  0.058698686538  -0.001724513317  0.003808133533  -0.005446632099
  9  Al  0.007550054349  6.071899333302  2.022515871517  0.004995222285  -0.001671099975  0.047349076504  0.001263944759  -0.000517710587  -0.000379150644
  10  Al  2.039688875860  4.022553750872  2.021057685060  -0.028608469755  0.174814015291  0.068622175038  0.002428080488  -0.004447383802  -0.000608009510
  11  Al  2.030862157092  6.082990160786  0.027159255440  -0.055607053744  0.012283060867  0.064459331847  0.000935881354  0.001341731567  0.004574797408
  12  Al  8.086330105009  4.058767319014  4.028918687258  0.089081785839  0.013599715113  0.086512567408  -0.002213113761  0.001472798104  -0.003451240006
  13  Al  0.002136444250  6.066284423922  6.052617375731  -0.000596991534  0.010934989450  0.044727748584  0.000358083741  -0.001444519315  -0.003697807248
  14  Al  2.020923522359  4.040665388430  6.084833649553  -0.053120864983  -0.071044900163  -0.051507512513  -0.000719006733  -0.001606486245  0.001602551403
  15  Al  2.048626168607  6.078662349092  4.025448849541  -0.103034246261  -0.037498323748  -0.025659376594  0.003863293204  0.000583633611  -0.004112717982
  16  Al  4.077841615592  0.029802193703  8.098736876377  -0.012904821673  -0.001708932479  0.078996711086  0.004629754310  0.004967008367  -0.000152505354
  17  Al  4.016746112893  1.999043178658  2.021029368056  0.115166868548  0.044636678580  -0.011345224019  -0.005459463428  -0.004293682916  -0.000669471729
  18  Al  6.097239863323  8.074949096874  1.995253561251  -0.108647385198  -0.016259325305  0.038216755466  0.003629962857  -0.004187220930  -0.004931345503
  19  Al  6.084538316311  2.054004164304  8.063963356134  -0.090737759177  -0.090450853679  -0.002547828955  0.001524875214  0.004770990789  -0.006008740662
  20  Al  4.058650339906  0.031586572311  4.052967549933  -0.041955922884  -0.100938003998  -0.020791296476  0.001411379492  0.005192164292  0.000479613928
  21  Al  4.056425877892  2.016024355124  6.081067748651  0.017636403421  0.036309003388  0.063510738210  0.001082982756  -0.001470178978  0.001057251258
  22  Al  6.075276477282  0.002206436962  6.078342702661  0.012570391597  0.107234918902  0.037862757069  0.000056638599  0.000445057039  0.000584709633
  23  Al  6.098001568433  2.029576282592  4.041593845515  -0.071008264094  -0.006409560897  0.115944966231  0.003783782872  0.000758517713  -0.001317369685
  24  Al  4.055565262619  4.046947612976  0.032300038762  0.044939614431  -0.033914579788  -0.092890724573  0.000959504332  -0.000532179242  0.005318725690
  25  Al  4.039401224966  6.103794634138  2.052285595145  0.021101404920  -0.056222033877  -0.054510788492  -0.001753383824  0.004757947626  0.004510088954
  26  Al  6.059966868651  4.071520495892  2.005075235695  -0.007797259303  0.028073624594  0.033288473980  -0.002511415126  0.003608223633  -0.003298333975
  27  Al  6.063445877246  6.087994252983  0.026235653622  0.015660733568  -0.049393707026  -0.044522389937  -0.001912419143  0.002130278772  0.004342991157
  28  Al  4.056149147952  4.062090011936  4.071879780228  -0.016010041018  -0.006573349270  -0.101670667343  0.001012619416  0.002009582559  0.003571593055
  29  Al  4.024694979158  6.083233328266  6.113118528450  0.137392392803  -0.021762010822  -0.090937120849  -0.004117860110  0.001356665160  0.006286029875
  30  Al  6.081910376130  4.023705202094  6.080342043219  -0.004826362896  0.021283133306  0.023423572486  0.001149506496  -0.004368225799  0.000910640795
  31  Al  6.099233101645  6.064178198600  4.047718516049  -0.054270098523  0.030508658249  -0.069839400070  0.004000404523  -0.001782264721  -0.000430201551


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)
  -82.736092743997  -0.040404973693  0.004916569150
  -0.040404973693  -82.803727516681  -0.182568474666
  0.004916569150  -0.182568474666  -82.072875565764
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.071426905153  8.091677424677  8.086839808957  0.080237124659  0.005876162831  -0.060764209139  -0.004334787333  -0.001275511780  -0.002071654110
  1  Al  8.086586857121  2.005613410318  1.999130264438  0.079089393738  0.045226472112  0.001409270160  -0.002002111638  -0.002947942760  -0.003979194953
  2  Al  2.008712249668  8.073393511193  2.010631214361  0.035417515346  -0.002612425452  0.062686455111  -0.002476544832  -0.004096997787  -0.002161153610
  3  Al  2.007594697325  2.016857236781  8.095270000583  0.016417633249  -0.011703081205  -0.105878694150  -0.002662290538  -0.001261854150  -0.000811012055
  4  Al  0.004533362958  8.079521856549  4.091457451210  0.064606184554  0.008026498496  -0.114498200321  0.000747117391  -0.003143267669  0.006290253861
  5  Al  0.003720867144  2.024603229765  6.090740569124  -0.010342914404  -0.018294219790  -0.041454821868  0.000562579650  -0.000074215769  0.002390674836
  6  Al  2.017627762635  8.095668578494  6.068966618170  -0.040499042466  0.105150513002  0.020977533841  -0.001165143094  -0.000583331233  -0.000912410895
  7  Al  2.023041656432  2.030717249855  4.066002155575  -0.015744809055  -0.043090672948  0.026315058112  -0.000312305066  0.000845292792  0.002482690047
  8  Al  8.088797776270  4.075033225540  8.064339235581  -0.001411504384  -0.070716881161  0.064960258107  -0.001724969071  0.003795921280  -0.005435591979
  9  Al  0.008182250827  6.071640402978  2.022328412438  0.007129972758  -0.002639750006  0.051928964833  0.001265032206  -0.000518097392  -0.000370276284
  10  Al  2.040901638880  4.020337870231  2.020756747300  -0.034290588629  0.189270345353  0.075624464813  0.002422463999  -0.004414847056  -0.000595115610
  11  Al  2.031327612757  6.083661576482  0.029449538399  -0.062625905936  0.012030086749  0.070350331582  0.000925313960  0.001343908823  0.004586861842
  12  Al  8.085227528627  4.059504326917  4.027196932113  0.099012402548  0.014289618442  0.091949070065  -0.002196304313  0.001475295428  -0.003435295093
  13  Al  0.002315459666  6.065562652124  6.050770469041  0.000944462269  0.011195972535  0.047469923656  0.000358115786  -0.001442544776  -0.003689574958
  14  Al  2.020561644046  4.039858968592  6.085632623919  -0.059769434090  -0.076166585516  -0.057054681268  -0.000729101028  -0.001619651265  0.001592850396
  15  Al  2.050553212103  6.078952490112  4.023391340936  -0.114207859117  -0.041397878627  -0.027855329823  0.003843882469  0.000576581936  -0.004117513429
  16  Al  4.080155918888  0.032285624696  8.098664154726  -0.015889149305  -0.003049525977  0.086816346391  0.004627192826  0.004966596568  -0.000137682182
  17  Al  4.014021525581  1.996898329679  2.020694124633  0.121738701792  0.049091385330  -0.011294342496  -0.005438299162  -0.004285315442  -0.000671497526
  18  Al  6.099049990590  8.072854756927  1.992789593599  -0.114830967361  -0.017659217952  0.043160782956  0.003609993966  -0.004190264696  -0.004924083905
  19  Al  6.085296698955  2.056385619650  8.060958868047  -0.095109296391  -0.098110370948  -0.000372073770  0.001508264774  0.004754146594  -0.006009018157
  20  Al  4.059354155146  0.034178145909  4.053206427842  -0.047951490976  -0.110012719128  -0.023795759703  0.001403345688  0.005173319643  0.000475629185
  21  Al  4.056968158309  2.015290887688  6.081599213868  0.016825338237  0.040273282522  0.067584827761  0.001086066582  -0.001463336593  0.001068974020
  22  Al  6.075305358510  0.002433759131  6.078636750305  0.016039873170  0.115200671981  0.039866222607  0.000059196495  0.000464943868  0.000591660159
  23  Al  6.099890288262  2.029955255432  4.040940342523  -0.073935834484  -0.006233160991  0.123804091356  0.003770835319  0.000757389538  -0.001295939869
  24  Al  4.056047024187  4.046680007043  0.034955252850  0.046153033896  -0.036283694313  -0.099834412298  0.000967650589  -0.000538456383  0.005301510744
  25  Al  4.038525475150  6.106171097910  2.054538205914  0.021185330237  -0.061219551004  -0.058747591007  -0.001749608217  0.004747461448  0.004499976074
  26  Al  6.058710810936  4.073325864913  2.003427554566  -0.004973934321  0.030430022979  0.038114375657  -0.002512563742  0.003613463707  -0.003291959636
  27  Al  6.062490366473  6.089057185859  0.028405161862  0.019268653777  -0.054045662447  -0.047845326138  -0.001909301714  0.002121037188  0.004334745432
  28  Al  4.056654742669  4.063094510683  4.073661034413  -0.019673089388  -0.006032657913  -0.110627957455  0.001009432139  0.002008461093  0.003552623466
  29  Al  4.022642187841  6.083910688965  6.116257482579  0.145510784089  -0.024127804673  -0.098572080432  -0.004092580011  0.001352566353  0.006269105081
  30  Al  6.082484914382  4.021522037730  6.080798411228  -0.002569185594  0.024448511899  0.022673108344  0.001148848486  -0.004364149381  0.000914764305
  31  Al  6.101230880629  6.063288428818  4.047500293201  -0.055751398418  0.032886315822  -0.077095605484  0.003990579623  -0.001776602129  -0.000443338632


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)
  -82.640934883813  -0.046174749690  0.005825641474
  -0.046174749690  -82.718230779971  -0.210533750133
  0.005825641474  -0.210533750133  -81.872136244257
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.069263094530  8.091039930411  8.085801264079  0.084322879720  0.007788328498  -0.065506397636  -0.004320090688  -0.001274294575  -0.002082949767
  1  Al  8.085589334940  2.004141458147  1.997140726718  0.082389782113  0.048811353482  0.000376367055  -0.001987682385  -0.002939545983  -0.003979049022
  2  Al  2.007475558388  8.071344892193  2.009553437860  0.041109287763  -0.000360750768  0.066288168917  -0.002469711907  -0.004097277696  -0.002149630793
  3  Al  2.006264283752  2.016225785557  8.094859761156  0.020365480871  -0.012604444140  -0.113573050090  -0.002659011317  -0.001264031574  -0.000830633712
  4  Al  0.004909810135  8.077950578940  4.094597465229  0.067131335978  0.009810765797  -0.123302231975  0.000758897225  -0.003141683852  0.006269016296
  5  Al  0.004001695102  2.024565304075  6.091934055471  -0.013080259546  -0.020303152509  -0.043835215952  0.000560487569  -0.000077666608  0.002383058187
  6  Al  2.017043379848  8.095381612593  6.068511349669  -0.039941818615  0.114154220524  0.024128253106  -0.001172338474  -0.000563727521  -0.000908381605
  7  Al  2.022884799858  2.031137970801  4.067244678891  -0.013506152874  -0.046301674481  0.028542557202  -0.000314921161  0.000837304077  0.002487602837
  8  Al  8.087935227238  4.076928028249  8.061624338870  -0.004031135808  -0.077157264081  0.069731904793  -0.001725461580  0.003782714486  -0.005423569294
  9  Al  0.008815086666  6.071381235864  2.022145595201  0.004416620809  -0.002729275177  0.054671580003  0.001266068821  -0.000518579164  -0.000360747530
  10  Al  2.042111340073  4.018138903428  2.020462569398  -0.034129823014  0.201587920420  0.080747003731  0.002416355595  -0.004379919748  -0.000581138138
  11  Al  2.031787471134  6.084334069727  0.031746117686  -0.063660200456  0.012364314052  0.074305384762  0.000914027239  0.001346094297  0.004599809778
  12  Al  8.084133800502  4.060242614572  4.025483391863  0.104064885626  0.013511400698  0.099011078226  -0.002178156880  0.001477785904  -0.003418235193
  13  Al  0.002494560068  6.064841879019  6.048927800449  -0.002347212608  0.011850578332  0.051952723581  0.000357991614  -0.001440489395  -0.003680699334
  14  Al  2.020194421267  4.039045737023  6.086426500089  -0.060478912938  -0.082827255244  -0.060570991948  -0.000739853674  -0.001633870803  0.001582340212
  15  Al  2.052470051415  6.079238931079  4.021331335749  -0.119612545049  -0.044415102773  -0.028359698981  0.003822992293  0.000568912289  -0.004122553201
  16  Al  4.082468808825  0.034768790707  8.098599194182  -0.014443501064  -0.003049383659  0.093071872089  0.004624497039  0.004966068432  -0.000121600750
  17  Al  4.011307813252  1.994757862839  2.020357870470  0.133233871777  0.052971542606  -0.012956788290  -0.005415523484  -0.004276205830  -0.000673667876
  18  Al  6.100849857607  8.070758831810  1.990329476912  -0.126813012819  -0.017134772759  0.046362388401  0.003588403560  -0.004193389689  -0.004916097541
  19  Al  6.086046581217  2.058758311316  8.057954337449  -0.105010637855  -0.106368439090  0.001010562277  0.001490379357  0.004735882674  -0.006008981770
  20  Al  4.060053685717  0.036759892409  4.053443179160  -0.049371961926  -0.117441066147  -0.025492670526  0.001394649858  0.005153003216  0.000471224465
  21  Al  4.057511944570  2.014561018402  6.082136722765  0.020517588896  0.043837684886  0.073437778695  0.001089408759  -0.001455822159  0.001081585044
  22  Al  6.075335673782  0.002671380872  6.078934362872  0.013752834915  0.124684711514  0.043642245108  0.000061860150  0.000486391089  0.000599127807
  23  Al  6.101772404084  2.030333672197  4.040297905532  -0.083009949709  -0.006614909326  0.132813271758  0.003756817439  0.000756243536  -0.001273002883
  24  Al  4.056532913293  4.046409156546  0.037601549972  0.051911316915  -0.040487820143  -0.108680046373  0.000976420819  -0.000545321568  0.005282887924
  25  Al  4.037651616595  6.108542096004  2.056785571615  0.026311888754  -0.065173835247  -0.064723973578  -0.001745368017  0.004736178299  0.004488953282
  26  Al  6.057454304688  4.075133959918  2.001783275770  -0.007673525863  0.030753612739  0.041109666293  -0.002513703070  0.003618945934  -0.003284888387
  27  Al  6.061536575364  6.090115290357  0.030570399436  0.017046405598  -0.058147269519  -0.052947155421  -0.001906061743  0.002111014506  0.004325749568
  28  Al  4.057158580180  4.064098473206  4.075432404006  -0.018476078178  -0.007099477763  -0.117782383899  0.001006025100  0.002007294004  0.003532215943
  29  Al  4.020602398787  6.084585894738  6.119387634082  0.158362767999  -0.025947304025  -0.104107912448  -0.004065427978  0.001348094325  0.006251007192
  30  Al  6.083059224718  4.019341052329  6.081256807605  -0.006163708770  0.026350339876  0.023400421954  0.001148071727  -0.004359623021  0.000918886403
  31  Al  6.103223681619  6.062401596315  4.047275177379  -0.063186510643  0.035686423431  -0.082764710834  0.003979960383  -0.001770477882  -0.000457631582


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)
  -82.540050931312  -0.052533719680  0.006766748384
  -0.052533719680  -82.626352410813  -0.241304641484
  0.006766748384  -0.241304641484  -81.656490031163
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.067106814024  8.090403129972  8.084756858978  0.091339805207  0.007794464468  -0.070139161817  -0.004304404939  -0.001272906909  -0.002095085282
  1  Al  8.084599174533  2.002673864036  1.995151215011  0.088686421868  0.052230734208  0.001041550841  -0.001972396728  -0.002930525395  -0.003978939211
  2  Al  2.006242537509  8.069296233080  2.008481583349  0.042361329684  0.000210363491  0.071033327237  -0.002462260198  -0.004097308595  -0.002137363480
  3  Al  2.004935685737  2.015593205078  8.094439366786  0.019793455664  -0.013819045377  -0.121033099554  -0.002655432456  -0.001266399205  -0.000851610918
  4  Al  0.005292260261  8.076380172378  4.097726468145  0.072351886670  0.009807757388  -0.132146390500  0.000771370186  -0.003139943349  0.006246206028
  5  Al  0.004281354770  2.024525563149  6.093123627554  -0.012937577837  -0.022474294370  -0.047761953386  0.000558163975  -0.000081491221  0.002374879599
  6  Al  2.016455424041  8.095104850915  6.068058236473  -0.043588614430  0.120996823738  0.025871433537  -0.001179811046  -0.000542707541  -0.000903915528
  7  Al  2.022726735239  2.031554554017  4.068489758665  -0.015905459018  -0.049493531133  0.030691451331  -0.000317551885  0.000828743602  0.002492908924
  8  Al  8.087072314514  4.078815940411  8.058915665735  -0.003543932665  -0.081655825133  0.074563916328  -0.001726146138  0.003768532792  -0.005410692426
  9  Al  0.009448319777  6.071121823761  2.021967664871  0.004645511451  -0.002724034330  0.058671794331  0.001266884364  -0.000519068896  -0.000350616228
  10  Al  2.043317994721  4.015957950037  2.020175609104  -0.038701450876  0.215813733220  0.087401288667  0.002409854810  -0.004342622915  -0.000566108243
  11  Al  2.032241640089  6.085007670916  0.034049348646  -0.069090428952  0.012857188413  0.078262745693  0.000902163296  0.001348354820  0.004613468885
  12  Al  8.083049371525  4.060982112971  4.023778696573  0.112245608994  0.014165840980  0.105758384576  -0.002158828113  0.001480266530  -0.003399943470
  13  Al  0.002673451317  6.064122162583  6.047089769331  -0.002735137755  0.012982806886  0.055016230874  0.000357538780  -0.001438275440  -0.003671152045
  14  Al  2.019821790296  4.038225097622  6.087214964292  -0.065573347224  -0.087568035009  -0.065672484910  -0.000751125833  -0.001649111014  0.001571060851
  15  Al  2.054376204786  6.079521402459  4.019268787315  -0.129574311597  -0.047330993124  -0.028586035362  0.003800731403  0.000560712659  -0.004127661682
  16  Al  4.084780416397  0.037251693634  8.098542553964  -0.015611439345  -0.005001381666  0.099270793284  0.004621829842  0.004965369853  -0.000104405934
  17  Al  4.008606001545  1.992622123413  2.020020456688  0.141495446104  0.056377713996  -0.013310063782  -0.005390985895  -0.004266448280  -0.000676018989
  18  Al  6.102638394516  8.068661366810  1.987873495557  -0.134288051576  -0.018273047074  0.051017263433  0.003565076547  -0.004196572993  -0.004907412793
  19  Al  6.086787078464  2.061121502807  8.054949885665  -0.110479633597  -0.115173819272  0.002389513608  0.001471120988  0.004716097086  -0.006008703402
  20  Al  4.060748805147  0.039331149650  4.053677652355  -0.053698700252  -0.126604447741  -0.027086613461  0.001385441336  0.005131207626  0.000466525912
  21  Al  4.058057567179  2.013835065381  6.082680799022  0.021399629448  0.047017078180  0.077897519257  0.001093160777  -0.001447705992  0.001095118948
  22  Al  6.075367218666  0.002920150269  6.079235878174  0.015794179718  0.132229148688  0.046118241618  0.000064501901  0.000509361127  0.000607154900
  23  Al  6.103647106084  2.030711499046  4.039667339510  -0.087253268573  -0.007369926934  0.141745293841  0.003741611999  0.000754996521  -0.001248462912
  24  Al  4.057023445106  4.046134685419  0.040238141313  0.054723939642  -0.042719317050  -0.117450820006  0.000985958115  -0.000552762566  0.005262694447
  25  Al  4.036780106955  6.110907276692  2.059027159653  0.028460510280  -0.068975427859  -0.069662624166  -0.001740478828  0.004724205600  0.004476958312
  26  Al  6.056197107609  4.076944811216  2.000142665845  -0.005741645200  0.032976752699  0.045725394880  -0.002514913088  0.003624658812  -0.003277139371
  27  Al  6.060584304535  6.091168200581  0.032730911871  0.019129144140  -0.061784846570  -0.058117747897  -0.001902835787  0.002100301630  0.004315838851
  28  Al  4.057660767872  4.065101804892  4.077193250716  -0.020408071928  -0.006250323937  -0.124842698991  0.001002553163  0.002006109089  0.003510540433
  29  Al  4.018576759449  6.085258783427  6.122508490407  0.167843006718  -0.027305116936  -0.110751327279  -0.004036282670  0.001343339329  0.006231825516
  30  Al  6.083632986226  4.017162414265  6.081717297725  -0.005300491629  0.030069227949  0.022544188054  0.001147051724  -0.004354597712  0.000922997742
  31  Al  6.105210841417  6.061517950755  4.047042661573  -0.065838313133  0.038993779210  -0.088459310281  0.003968442585  -0.001763809053  -0.000472940870


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)
  -82.432204112447  -0.058889798573  0.007899734060
  -0.058889798573  -82.528320459786  -0.272923790767
  0.007899734060  -0.272923790767  -81.427533926474
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.064958689089  8.089767023353  8.083706178552  0.097820849513  0.009053374805  -0.074473180062  -0.004287516429  -0.001271407334  -0.002108024441
  1  Al  8.083616937982  2.001210932410  1.993161787043  0.094200351110  0.056216532460  0.000759268621  -0.001956056985  -0.002920845485  -0.003978798890
  2  Al  2.005013297902  8.067247583120  2.007416074130  0.045393803411  0.002334255484  0.075226902931  -0.002454427723  -0.004097102394  -0.002124298989
  3  Al  2.003608850987  2.014959386203  8.094008150138  0.020918706480  -0.014378455640  -0.127948596996  -0.002651806603  -0.001268926628  -0.000873874188
  4  Al  0.005681180410  8.074810635224  4.100843671986  0.076899705985  0.010910772703  -0.141494560515  0.000784717214  -0.003138107435  0.006221775108
  5  Al  0.004559859143  2.024483812845  6.094308935348  -0.013463693450  -0.024058041186  -0.050835330211  0.000555806614  -0.000085651613  0.002366077387
  6  Al  2.015863568664  8.094838904988  6.067607434035  -0.045361114860  0.128836680726  0.028418379958  -0.001187769239  -0.000520375364  -0.000899066741
  7  Al  2.022567247936  2.031966714500  4.069737588106  -0.016186285232  -0.052197946049  0.032438075472  -0.000320422522  0.000819656738  0.002498565625
  8  Al  8.086209080898  4.080696561481  8.056213645812  -0.003948538431  -0.087352307507  0.079773297910  -0.001726824929  0.003753443124  -0.005396922863
  9  Al  0.010081971179  6.070862166907  2.021794978932  0.003947420560  -0.003256123031  0.061933297967  0.001267659150  -0.000519606216  -0.000339836011
  10  Al  2.044521195165  4.013796280006  2.019896461088  -0.041473917773  0.228491357557  0.093212987549  0.002402699690  -0.004302924813  -0.000549964354
  11  Al  2.032689634535  6.085682424705  0.036359587109  -0.072708946460  0.012673441368  0.082049085520  0.000889491186  0.001350644252  0.004627824654
  12  Al  8.081974972137  4.061722881274  4.022083447995  0.119509392597  0.013638406302  0.112274386780  -0.002138120542  0.001482759907  -0.003380469108
  13  Al  0.002852098889  6.063403603411  6.045256647975  -0.004070706556  0.013397267141  0.058928416028  0.000356932198  -0.001435924546  -0.003660984520
  14  Al  2.019443295346  4.037396625817  6.087997561124  -0.068555098042  -0.093321351102  -0.070064893100  -0.000763120754  -0.001665291006  0.001558934156
  15  Al  2.056270783261  6.079799643803  4.017203673585  -0.137469087310  -0.050639806972  -0.028752570867  0.003776877596  0.000551957029  -0.004132809170
  16  Al  4.087090639208  0.039734161140  8.098494788237  -0.016322133764  -0.005845864839  0.105831413823  0.004618999008  0.004964425911  -0.000086070436
  17  Al  4.005916826727  1.990491414061  2.019681851402  0.150502315194  0.060517721116  -0.014175759372  -0.005364909442  -0.004256020049  -0.000678479721
  18  Al  6.104414934570  8.066562258326  1.985422063547  -0.143511909323  -0.018048781303  0.055306903829  0.003540259885  -0.004199841950  -0.004897932958
  19  Al  6.087517702377  2.063474408953  8.051945633345  -0.117452263332  -0.123239151559  0.004581475180  0.001450751628  0.004694807581  -0.006008111416
  20  Al  4.061439127215  0.041891100634  4.053909705126  -0.057394572639  -0.134729581307  -0.029077122890  0.001375516848  0.005107871146  0.000461507324
  21  Al  4.058605105475  2.013113312241  6.083231841841  0.022789460953  0.051048819356  0.082828229504  0.001097116940  -0.001438946468  0.001109493443
  22  Al  6.075400175691  0.003180742058  6.079541517843  0.016032875845  0.140632676564  0.049042379506  0.000067347560  0.000533757490  0.000615665369
  23  Al  6.105514016520  2.031088668806  4.039049442474  -0.093558678959  -0.007398336778  0.150116794466  0.003725466936  0.000753680167  -0.001222377067
  24  Al  4.057518871523  4.045856393915  0.042864245034  0.058277468218  -0.046167549002  -0.126142136121  0.000996065510  -0.000560711881  0.005240944694
  25  Al  4.035911137564  6.113266302156  2.061262530451  0.031611961600  -0.073204116268  -0.075104809912  -0.001735117420  0.004711519360  0.004464039432
  26  Al  6.054939391306  4.078758619153  1.998506136016  -0.005570932733  0.033733977723  0.049732284131  -0.002515937493  0.003630641551  -0.003268622526
  27  Al  6.059633739355  6.092215592232  0.034886238790  0.019432859000  -0.066410780050  -0.063416716998  -0.001899398248  0.002088851914  0.004304996149
  28  Al  4.058161133460  4.066104582530  4.078942944849  -0.021425840964  -0.006506261937  -0.131934387358  0.000998818440  0.002004979079  0.003487602922
  29  Al  4.016566115645  6.085929234223  6.125619460326  0.178072466194  -0.029502807694  -0.116846255533  -0.004005378961  0.001338267706  0.006211510776
  30  Al  6.084206276576  4.014986454108  6.082179805454  -0.006341874609  0.033121621464  0.022089817524  0.001146016861  -0.004348971104  0.000926992796
  31  Al  6.107192124668  6.060637787056  4.046802236454  -0.070594042224  0.041650357456  -0.094277076765  0.003956266214  -0.001756608669  -0.000489279873


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)
  -82.318452522635  -0.065633826758  0.009230342545
  -0.065633826758  -82.423922795354  -0.307025227220
  0.009230342545  -0.307025227220  -81.183930975042
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.062819297026  8.089131722470  8.082648834257  0.106385789334  0.010015605262  -0.077966445095  -0.004269287273  -0.001269710531  -0.002121665670
  1  Al  8.082643117289  1.999753018163  1.991172415593  0.101879323043  0.058786993906  0.002484950342  -0.001938539786  -0.002910582497  -0.003978533757
  2  Al  2.003788109460  8.065199130143  2.006357284077  0.046100748848  0.004657226878  0.080650924265  -0.002446263508  -0.004096502996  -0.002110376872
  3  Al  2.002283878782  2.014324278282  8.093565492483  0.019782807283  -0.016549825888  -0.133787969225  -0.002648184500  -0.001271699543  -0.000897278793
  4  Al  0.006076977579  8.073242064526  4.103948244078  0.083145423582  0.012212457055  -0.151901721478  0.000799030091  -0.003136059866  0.006195584539
  5  Al  0.004837161458  2.024439911525  6.095489705255  -0.011839123408  -0.027123680105  -0.055655035289  0.000553548031  -0.000090227773  0.002356572000
  6  Al  2.015267654645  8.094584475482  6.067159169613  -0.049160743650  0.136514683776  0.029771615267  -0.001196226885  -0.000496656322  -0.000893870206
  7  Al  2.022406312675  2.032374210864  4.070988324622  -0.019131808409  -0.056118506050  0.033164004047  -0.000323581949  0.000809978422  0.002504446058
  8  Al  8.085345489356  4.082569384034  8.053518742156  -0.002088685201  -0.092624782271  0.085854169712  -0.001727375460  0.003737376737  -0.005382149610
  9  Al  0.010715979096  6.070602217475  2.021627828815  0.005309364655  -0.002443519833  0.066433035655  0.001268494635  -0.000520119014  -0.000328362243
  10  Al  2.045720694730  4.011655024653  2.019625644677  -0.046708496270  0.241217895487  0.100603788543  0.002394831256  -0.004260959932  -0.000532640658
  11  Al  2.033131131393  6.086358315347  0.038677173915  -0.078391804812  0.013798156481  0.086684898200  0.000875988410  0.001353019253  0.004642938360
  12  Al  8.080911250699  4.062464873075  4.020398227016  0.129186259684  0.012813001323  0.117765833815  -0.002115900636  0.001485133930  -0.003359924765
  13  Al  0.003030383562  6.062686237846  6.043428784325  -0.003349711855  0.015328598377  0.061495330486  0.000356271049  -0.001433365451  -0.003650241598
  14  Al  2.019058669441  4.036559806395  6.088773898656  -0.073907513571  -0.098825909220  -0.076155683643  -0.000775861626  -0.001682479310  0.001545871855
  15  Al  2.058153082883  6.080073359561  4.015135977597  -0.147604318799  -0.052880417239  -0.029504601095  0.003751415790  0.000542705819  -0.004138043198
  16  Al  4.089399416018  0.042216120204  8.098456483516  -0.019015810245  -0.007300831365  0.112980061291  0.004615868715  0.004963281668  -0.000066509323
  17  Al  4.003241091391  1.988366102799  2.019341976877  0.157017598253  0.063265130286  -0.013670492969  -0.005337450865  -0.004244980548  -0.000680973409
  18  Al  6.106178654871  8.064461524303  1.982975561950  -0.150149293280  -0.017890257438  0.061247736435  0.003514028852  -0.004203081166  -0.004887543673
  19  Al  6.088237830284  2.065816311011  8.048941773451  -0.122102903007  -0.133027218209  0.007612050131  0.001429344576  0.004671926856  -0.006007058917
  20  Al  4.062124322177  0.044439021474  4.054139159740  -0.063035584664  -0.143161031479  -0.031643043940  0.001364759051  0.005083059807  0.000456081855
  21  Al  4.059154684264  2.012396118721  6.083790292613  0.022186028590  0.053407252788  0.086289684491  0.001101144595  -0.001429617145  0.001124619455
  22  Al  6.075434566235  0.003453907830  6.079851543624  0.018386797649  0.148798952651  0.050547786570  0.000070425085  0.000559635894  0.000624572540
  23  Al  6.107372573514  2.031465179313  4.038444962281  -0.097099178025  -0.008993596274  0.157566526319  0.003708445518  0.000752219452  -0.001194877959
  24  Al  4.058019510748  4.045573973464  0.045479086702  0.059603859697  -0.049200083595  -0.133799412450  0.001006610283  -0.000569241216  0.005217738827
  25  Al  4.035044989305  6.115618796677  2.063491199677  0.032594739748  -0.075986106766  -0.079557029081  -0.001729388226  0.004698211301  0.004450240664
  26  Al  6.053681169783  4.080575453249  1.996874042885  -0.002886530397  0.034489306081  0.055324927537  -0.002516709330  0.003636763402  -0.003259250910
  27  Al  6.058684906035  6.093257052772  0.037035908592  0.021829679583  -0.069204408662  -0.067912582046  -0.001895721281  0.002076741045  0.004293282306
  28  Al  4.058659586444  4.067106784237  4.080680854100  -0.024817235058  -0.006461511650  -0.139816078613  0.000994690579  0.002003832312  0.003463330371
  29  Al  4.014571379956  6.086597051311  6.128720002008  0.185859438620  -0.029888747427  -0.124063537601  -0.003972868669  0.001332966501  0.006190012414
  30  Al  6.084779003239  4.012813442584  6.082644290644  -0.005031501945  0.036180107924  0.019893026312  0.001145007258  -0.004342802773  0.000930751845
  31  Al  6.109167108156  6.059761341853  4.046553381635  -0.072947615974  0.046195065196  -0.100936716893  0.003943458408  -0.001748766318  -0.000506734964


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)
  -82.197194866717  -0.072560962072  0.010955244975
  -0.072560962072  -82.313347842146  -0.342410527526
  0.010955244975  -0.342410527526  -80.928212591994
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.060689401177  8.088497312632  8.081584512564  0.110340139364  0.010055918433  -0.083454640452  -0.004249943883  -0.001267925610  -0.002136112472
  1  Al  8.081678397905  1.998300349478  1.989183252691  0.104881360214  0.064343376170  0.000942060115  -0.001920069910  -0.002899596386  -0.003978257043
  2  Al  2.002567034028  8.063151079511  2.005305696943  0.049976539354  0.005862668254  0.083587712600  -0.002437692472  -0.004095593061  -0.002095709732
  3  Al  2.000960666091  2.013687686470  8.093110871211  0.021992051580  -0.015399848250  -0.141893245751  -0.002644469585  -0.001274565313  -0.000921931281
  4  Al  0.006480210621  8.071674574889  4.107039257452  0.085633281807  0.012270569998  -0.159715121202  0.000814124801  -0.003133894472  0.006167772298
  5  Al  0.005113407256  2.024393585059  6.096665507701  -0.014448233365  -0.027324985143  -0.057629018931  0.000551202078  -0.000095096136  0.002346462016
  6  Al  2.014667341600  8.094342248592  6.066713563695  -0.049529190059  0.142924253705  0.033521440296  -0.001205058646  -0.000471678288  -0.000888218495
  7  Al  2.022243665938  2.032776693043  4.072242034539  -0.018327710220  -0.057346789084  0.036264961047  -0.000326933229  0.000799840706  0.002510671652
  8  Al  8.084481705180  4.084433938778  8.050831495397  -0.004620281961  -0.097066080986  0.089515456752  -0.001727988117  0.003720446307  -0.005366511755
  9  Al  0.011350466004  6.070342047816  2.021466616640  0.002178279006  -0.004424163172  0.068275924037  0.001269173485  -0.000520736859  -0.000316321760
  10  Al  2.046916026779  4.009535319436  2.019363820350  -0.048449898414  0.254665407289  0.105252865845  0.002386341984  -0.004216659916  -0.000514241121
  11  Al  2.033565623076  6.087035444161  0.041002526164  -0.080680860175  0.011798003665  0.088371320776  0.000861773903  0.001355317627  0.004658622934
  12  Al  8.079859071184  4.063208015427  4.018723522728  0.134035728501  0.013234580383  0.125533223145  -0.002092384463  0.001487473646  -0.003338198968
  13  Al  0.003208369991  6.061970237746  6.041606405831  -0.007107424187  0.014012419944  0.066694233943  0.000355338841  -0.001430753061  -0.003638808712
  14  Al  2.018667433604  4.035714146255  6.089543433210  -0.075629692709  -0.103036165018  -0.079089995143  -0.000789235981  -0.001700538248  0.001532004473
  15  Al  2.060022199612  6.080342349704  4.013065629768  -0.154423477399  -0.057613038518  -0.027760337568  0.003724442584  0.000532831791  -0.004143193512
  16  Al  4.091706508613  0.044697443550  8.098428278904  -0.017139289129  -0.009539013576  0.117812317815  0.004612670874  0.004961813193  -0.000045877066
  17  Al  4.000579375063  1.986246432879  2.019000877891  0.168285149733  0.068992181754  -0.015881019587  -0.005308408712  -0.004233188440  -0.000683620380
  18  Al  6.107928963948  8.062359176532  1.980534519143  -0.160306286594  -0.018433377495  0.064014718164  0.003486300436  -0.004206359820  -0.004876381693
  19  Al  6.088947047167  2.068146336508  8.045938573529  -0.130135713499  -0.139983416670  0.009223102156  0.001406805194  0.004647554637  -0.006005598644
  20  Al  4.062803886470  0.046974161202  4.054365787049  -0.064683124786  -0.152166726662  -0.031921166971  0.001353351220  0.005056695510  0.000450402638
  21  Al  4.059706250234  2.011683694883  6.084356461465  0.025817068157  0.058957828515  0.092401384091  0.001105444263  -0.001419582406  0.001140602755
  22  Al  6.075470600787  0.003740378036  6.080166090477  0.017312696955  0.155781440447  0.054908760828  0.000073617132  0.000586869440  0.000634004972
  23  Al  6.109222462592  2.031840888371  4.037854564337  -0.104502446495  -0.007330133029  0.167010172513  0.003690450054  0.000750765725  -0.001165869830
  24  Al  4.058525481957  4.045287152614  0.048081984641  0.065098111081  -0.051650875151  -0.144253460924  0.001017766097  -0.000578261498  0.005192919902
  25  Al  4.034181749079  6.117964514160  2.065712771780  0.038229348040  -0.081585428767  -0.086472756266  -0.001723069472  0.004684159490  0.004435430840
  26  Al  6.052422681600  4.082395383099  1.995246884618  -0.003378272878  0.035880955817  0.058464810999  -0.002517288163  0.003643081590  -0.003249102448
  27  Al  6.057738017790  6.094292333588  0.039179521738  0.020974982911  -0.075023278995  -0.075162962157  -0.001891908693  0.002063862626  0.004280523412
  28  Al  4.059155824188  4.068108415142  4.082406275738  -0.023456271185  -0.005525661944  -0.145079585665  0.000990382361  0.002002775602  0.003437886624
  29  Al  4.012593246382  6.087262200924  6.131809473666  0.197932280546  -0.033502092662  -0.128411265144  -0.003938587450  0.001327309321  0.006167487407
  30  Al  6.085351284004  4.010643650685  6.083110557438  -0.007213432423  0.041018765185  0.019976852784  0.001143921101  -0.004335933599  0.000934323136
  31  Al  6.111135583666  6.058889020476  4.046295501414  -0.078655411771  0.047152705563  -0.105046742145  0.003929934553  -0.001740434099  -0.000525153586


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)
  -82.070517137250  -0.080268246796  0.012125521729
  -0.080268246796  -82.196642672548  -0.379341771066
  0.012125521729  -0.379341771066  -80.658181747543
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.058569352431  8.087863796647  8.080512721428  0.119373064749  0.011101550085  -0.087092186510  -0.004229444973  -0.001266045290  -0.002151378093
  1  Al  8.080723047057  1.996853421291  1.987194157883  0.112662347803  0.066022617283  0.002692163740  -0.001900638457  -0.002887967209  -0.003977967134
  2  Al  2.001350416581  8.061103536396  2.004261573995  0.049685085619  0.008733771454  0.089134170957  -0.002428804193  -0.004094324165  -0.002080286881
  3  Al  1.999639408754  2.013049712756  8.092643561048  0.019388946455  -0.018608857557  -0.147566938140  -0.002640793395  -0.001277616891  -0.000947817040
  4  Al  0.006891102517  8.070108169529  4.110116017409  0.092000856722  0.013364143715  -0.169629250411  0.000830012398  -0.003131630299  0.006138383259
  5  Al  0.005388363628  2.024344815373  6.097836167665  -0.012425253231  -0.031517360046  -0.062803668323  0.000548804444  -0.000100357460  0.002335716009
  6  Al  2.014062595797  8.094112797116  6.066270950969  -0.054087384433  0.149919757799  0.034582218297  -0.001214332534  -0.000445502272  -0.000882137861
  7  Al  2.022079379391  2.033174051703  4.073498996694  -0.021967235893  -0.062090800525  0.037095168027  -0.000330538460  0.000789170057  0.002517252107
  8  Al  8.083617500950  4.086289830964  8.048152229502  -0.002461659574  -0.102366872471  0.095414342462  -0.001728636438  0.003702649785  -0.005350026287
  9  Al  0.011985152793  6.070081480529  2.021311507002  0.003395323369  -0.002646312672  0.073040855983  0.001269682925  -0.000521373538  -0.000303690866
  10  Al  2.048107037114  4.007438364032  2.019111403470  -0.054985109123  0.266860146548  0.113140084361  0.002377115915  -0.004170072779  -0.000494721382
  11  Al  2.033992905441  6.087713633201  0.043335797628  -0.087146626707  0.013845908296  0.091932669452  0.000846777757  0.001357622105  0.004674783028
  12  Al  8.078818865886  4.063952346970  4.017060027489  0.143831451327  0.012302568619  0.131104067929  -0.002067561626  0.001489769741  -0.003315285033
  13  Al  0.003385722462  6.061255484546  6.039789975004  -0.006317143901  0.017085489528  0.068711443377  0.000354141814  -0.001427985501  -0.003626735490
  14  Al  2.018269433329  4.034859267863  6.090305903385  -0.081530923570  -0.108051551506  -0.085533429199  -0.000803293032  -0.001719424380  0.001517300664
  15  Al  2.061877526091  6.080606191442  4.010992783392  -0.165537152254  -0.058781357482  -0.027394340048  0.003695870960  0.000522430855  -0.004148160762
  16  Al  4.094012087665  0.047177934228  8.098410606442  -0.019873614491  -0.011567047583  0.124549048174  0.004609402501  0.004959969957  -0.000024210438
  17  Al  3.997932681790  1.984132913651  2.018658356382  0.174415075345  0.070367122014  -0.014640387397  -0.005277818106  -0.004220766993  -0.000686354997
  18  Al  6.109664955891  8.060255163780  1.978099179440  -0.165987158958  -0.017782237456  0.070509976854  0.003457160566  -0.004209634479  -0.004864398115
  19  Al  6.089644635713  2.070463866426  8.042936173802  -0.133498471121  -0.150952877354  0.012698210014  0.001383248753  0.004621585898  -0.006003691705
  20  Al  4.063477673624  0.049495717830  4.054589562454  -0.070609884368  -0.160385360338  -0.034270230347  0.001341267970  0.005028797925  0.000444489109
  21  Al  4.060260128713  2.010976536077  6.084930895558  0.025000471971  0.060556272379  0.095210114258  0.001109997058  -0.001408910368  0.001157385196
  22  Al  6.075508183379  0.004040777369  6.080485548703  0.020509194431  0.163389557860  0.055968445499  0.000076999045  0.000615408390  0.000643922936
  23  Al  6.111063024186  2.032215945163  4.037279092256  -0.107115695302  -0.010007339184  0.174291323058  0.003671563916  0.000749222363  -0.001135367837
  24  Al  4.059037277015  4.044995711869  0.050672007473  0.066217604143  -0.054461273242  -0.152840429811  0.001029514633  -0.000587752977  0.005166405472
  25  Al  4.033321919545  6.120302956951  2.067926631259  0.039407122500  -0.083123965788  -0.090703999609  -0.001716143950  0.004669475719  0.004419630303
  26  Al  6.051163881198  4.084218535448  1.993624939894  0.000725857303  0.036530723960  0.064759891110  -0.002517547428  0.003649587213  -0.003238114773
  27  Al  6.056792997025  6.095320915743  0.041316432720  0.024039006202  -0.076884830465  -0.080489457896  -0.001887901096  0.002050300240  0.004266645781
  28  Al  4.059649968971  4.069109560174  4.084118741300  -0.027124152734  -0.005334582241  -0.152146755610  0.000985869197  0.002001822314  0.003411344918
  29  Al  4.010632791847  6.087924360854  6.134887490448  0.205039041341  -0.032916909993  -0.135445876716  -0.003902596579  0.001321383156  0.006143952904
  30  Al  6.085922924531  4.008477508259  6.083578613937  -0.005228525573  0.044736830517  0.016916836270  0.001142818855  -0.004328305210  0.000937629638
  31  Al  6.113097043367  6.058020907462  4.046028227961  -0.079794458050  0.052663075844  -0.111194079803  0.003915803748  -0.001731525907  -0.000544490068


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)
  -81.936170974811  -0.087356784308  0.014523184418
  -0.087356784308  -82.073684307032  -0.418077061834
  0.014523184418  -0.418077061834  -80.376123893280
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.056459955418  8.087231267106  8.079433134071  0.124809849162  0.011849052953  -0.091279118546  -0.004207658580  -0.001264006534  -0.002167346571
  1  Al  8.079777759094  1.995412381731  1.985205284816  0.116938068169  0.071060065870  0.002379578178  -0.001880131784  -0.002875741754  -0.003977554635
  2  Al  2.000138229383  8.059056754583  2.003225409675  0.052906764615  0.011513374832  0.092798980134  -0.002419657487  -0.004092556186  -0.002064043497
  3  Al  1.998319872204  2.012410069341  8.092163053995  0.020916088045  -0.018206639907  -0.153896299398  -0.002637217296  -0.001280921328  -0.000974777528
  4  Al  0.007310223174  8.068542944007  4.113177641854  0.095431326328  0.014403255141  -0.178870188855  0.000846777327  -0.003129180110  0.006107290628
  5  Al  0.005662211803  2.024293227581  6.099001224144  -0.013651208251  -0.032346378668  -0.065823073666  0.000546478860  -0.000106067894  0.002324240832
  6  Al  2.013453008840  8.093896746237  6.065831425670  -0.054642604743  0.156686351509  0.037723454489  -0.001224065459  -0.000418096343  -0.000875682824
  7  Al  2.021913127417  2.033565863247  4.074759287114  -0.021806724379  -0.063681610858  0.038673307682  -0.000334455241  0.000777934150  0.002524051680
  8  Al  8.082753068420  4.088136589252  8.045481468114  -0.003756350900  -0.107342745022  0.100347095593  -0.001729210106  0.003683939878  -0.005332580288
  9  Al  0.012620149166  6.069820674181  2.021162925718  0.001314674445  -0.004094892223  0.075460270185  0.001270117057  -0.000521981562  -0.000290418024
  10  Al  2.049293143136  4.005365245881  2.018869098876  -0.057462258034  0.278984514105  0.118726901271  0.002367087596  -0.004121317288  -0.000473997618
  11  Al  2.034412400991  6.088393066518  0.045677310062  -0.089653651168  0.012224358459  0.094186161524  0.000830980565  0.001359966744  0.004691470087
  12  Al  8.077791509174  4.064697785445  4.015408237078  0.150077939472  0.011364238393  0.137437042860  -0.002041307463  0.001491900871  -0.003291311621
  13  Al  0.003562511871  6.060542251979  6.037979669666  -0.009011697361  0.016429904860  0.073189093837  0.000352775062  -0.001425003920  -0.003614086918
  14  Al  2.017864140423  4.033994721554  6.091060734157  -0.083488462869  -0.112668302664  -0.089572987666  -0.000818053987  -0.001739174366  0.001501661799
  15  Al  2.063718071260  6.080864780656  4.008917468234  -0.172692242407  -0.063046693283  -0.026069588951  0.003665671347  0.000511544830  -0.004152983089
  16  Al  4.096315911972  0.049657414431  8.098404068461  -0.019405032868  -0.013709049755  0.130260472118  0.004605938408  0.004957761294  -0.000001430778
  17  Al  3.995301555975  1.982025665100  2.018314522766  0.183883045717  0.075583385256  -0.015820550307  -0.005245840624  -0.004207762464  -0.000689085257
  18  Al  6.111386125158  8.058149541269  1.975670120123  -0.175283676582  -0.017154056680  0.074699688921  0.003426686593  -0.004212801072  -0.004851466437
  19  Al  6.090330296177  2.072767923266  8.039934880706  -0.140648492665  -0.158611145186  0.015988198658  0.001358754307  0.004593958483  -0.006001188896
  20  Al  4.064145154690  0.052002960062  4.054810276241  -0.073462194962  -0.168789085632  -0.035543747687  0.001328401756  0.004999421531  0.000438252328
  21  Al  4.060816247499  2.010274784252  6.085513846876  0.027282000938  0.065609754245  0.100155669013  0.001114682515  -0.001397645647  0.001174862753
  22  Al  6.075547599846  0.004355786540  6.080810013533  0.019770433568  0.170590858954  0.059232100450  0.000080600826  0.000645272488  0.000654228460
  23  Al  6.112894027192  2.032590110873  4.036719196289  -0.113647873011  -0.009029656863  0.182157881617  0.003651865469  0.000747528166  -0.001103513042
  24  Al  4.059554996781  4.044699399528  0.053248391075  0.070389321895  -0.057289184478  -0.162235927839  0.001041737848  -0.000597749486  0.005138290859
  25  Al  4.032465604809  6.122633990748  2.070132402906  0.044076202632  -0.088045697569  -0.097181695718  -0.001708698212  0.004654221219  0.004402878824
  26  Al  6.049905133703  4.086044970991  1.992008769242  0.001168609198  0.036840672058  0.068925638741  -0.002517403957  0.003656184134  -0.003226196624
  27  Al  6.055850116343  6.096342634210  0.043446168314  0.023452981919  -0.082195310831  -0.087118421881  -0.001883674741  0.002036099602  0.004251705561
  28  Al  4.060141693568  4.070110237829  4.085817621291  -0.027243877851  -0.004973980830  -0.158123028160  0.000981018848  0.002000921320  0.003383641960
  29  Al  4.008690649077  6.088583584326  6.137953427713  0.215505178544  -0.035822863328  -0.140298201661  -0.003865040166  0.001315251428  0.006119364642
  30  Al  6.086494103072  4.006315344669  6.084048187251  -0.007023081118  0.049292522917  0.015639541243  0.001141735318  -0.004319943526  0.000940549814
  31  Al  6.115051388142  6.057157494247  4.045751011245  -0.085043055477  0.054574984223  -0.116148246179  0.003901107589  -0.001721956659  -0.000564820017


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)
  -81.796063387924  -0.095149551235  0.016439749942
  -0.095149551235  -81.944431065267  -0.458220369970
  0.016439749942  -0.458220369970  -80.081175766786
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.054361692985  8.086599789853  8.078345374410  0.132597903324  0.012915281029  -0.094868015011  -0.004184696580  -0.001261807690  -0.002184013957
  1  Al  8.078842914886  1.993977678945  1.983216602429  0.123400794029  0.074012807462  0.003230363585  -0.001858667966  -0.002862806579  -0.003977100572
  2  Al  1.998930758596  8.057010979367  2.002197530073  0.054101932485  0.014949960784  0.097400529028  -0.002410119801  -0.004090239205  -0.002047064323
  3  Al  1.997002190916  2.011768791165  8.091668783319  0.020038370133  -0.019990154758  -0.159296210392  -0.002633587444  -0.001284351400  -0.001002788518
  4  Al  0.007737880018  8.066978988776  4.116223309294  0.100668006141  0.015833533372  -0.188952132462  0.000864318679  -0.003126514286  0.006074480252
  5  Al  0.005934842600  2.024238747457  6.100160408976  -0.012567800556  -0.035297824355  -0.070037259318  0.000544141406  -0.000112116541  0.002312122677
  6  Al  2.012838530086  8.093694700687  6.065395267965  -0.057061998200  0.163444045936  0.040008476554  -0.001234066438  -0.000389481728  -0.000868744052
  7  Al  2.021744924082  2.033951986014  4.076023048894  -0.023734046510  -0.067178485699  0.039435727299  -0.000338530569  0.000766244563  0.002531064734
  8  Al  8.081888290488  4.089973771600  8.042819648117  -0.002647425498  -0.112548462210  0.106183046860  -0.001729803237  0.003664325601  -0.005314180161
  9  Al  0.013255270111  6.069559498859  2.021021088918  0.001334970303  -0.003525447521  0.078929116361  0.001270369091  -0.000522669048  -0.000276619105
  10  Al  2.050474125198  4.003317045895  2.018637405754  -0.062349861058  0.290643945870  0.125419643460  0.002356404659  -0.004070441779  -0.000452176614
  11  Al  2.034823886176  6.089073600225  0.048027268681  -0.094104874615  0.012659679867  0.096864980017  0.000814562499  0.001362207601  0.004708606010
  12  Al  8.076777558003  4.065444248148  4.013768715191  0.158671771067  0.009980916549  0.143064863273  -0.002013729649  0.001493826927  -0.003266274073
  13  Al  0.003738497597  6.059830480333  6.036175887343  -0.009621574463  0.018032911825  0.076573015384  0.000351113460  -0.001421939954  -0.003600741337
  14  Al  2.017451379173  4.033120093138  6.091807565493  -0.087411893638  -0.117357537817  -0.094988122522  -0.000833342213  -0.001759759391  0.001485179986
  15  Al  2.065543198192  6.081117736377  4.006839799447  -0.181812146586  -0.065462621168  -0.025007038367  0.003634022456  0.000500062223  -0.004157598889
  16  Al  4.098618027021  0.052135696543  8.098409175664  -0.021118760190  -0.016084880125  0.136542159044  0.004602370550  0.004955156883  0.000022421315
  17  Al  3.992686840087  1.979925150321  2.017969270983  0.191041665977  0.078493669404  -0.015558092003  -0.005212385016  -0.004194038212  -0.000691898725
  18  Al  6.113091643190  8.056042361840  1.973247712005  -0.182347575566  -0.015938308858  0.080353072683  0.003394755310  -0.004215809796  -0.004837662639
  19  Al  6.091003390300  2.075057825854  8.036934983671  -0.145283670750  -0.168655763916  0.020343882798  0.001333208234  0.004564755695  -0.005998012426
  20  Al  4.064806075654  0.054495140390  4.055027814873  -0.078328142804  -0.177016644325  -0.037497399421  0.001314847577  0.004968566214  0.000431727691
  21  Al  4.061374811457  2.009578890143  6.086105758553  0.027233706602  0.068422962248  0.103661440752  0.001119569511  -0.001385679822  0.001193097989
  22  Al  6.075588784222  0.004686049989  6.081139777297  0.021050779371  0.177686646237  0.061242050543  0.000084251197  0.000676416139  0.000665006636
  23  Al  6.114714890407  2.032963473483  4.036175578987  -0.117954243048  -0.010245831876  0.189045076983  0.003631203856  0.000745813861  -0.001070340727
  24  Al  4.060079015077  4.044397962260  0.055810299390  0.072184736282  -0.060011202167  -0.171025267077  0.001054496376  -0.000608243254  0.005108558679
  25  Al  4.031613220981  6.124957179128  2.072329510990  0.046514949126  -0.090679019927  -0.102631671945  -0.001700619768  0.004638298798  0.004385068081
  26  Al  6.048646476723  4.087874720335  1.990398742606  0.003907757165  0.036653631616  0.074520641089  -0.002516980171  0.003662798142  -0.003213411049
  27  Al  6.054909321897  6.097357015764  0.045568139156  0.024763683887  -0.085232299267  -0.093377500317  -0.001879386657  0.002021155898  0.004235619991
  28  Al  4.060630988021  4.071110481906  4.087502383957  -0.029699727363  -0.004734142791  -0.164671314384  0.000975939806  0.002000077292  0.003354824577
  29  Al  4.006767750885  6.089239612552  6.141006856349  0.223416851043  -0.036446644260  -0.146104115185  -0.003825846732  0.001308806241  0.006093833345
  30  Al  6.087064660084  4.004157563844  6.084519163944  -0.006713600200  0.053789701958  0.012837807803  0.001140520885  -0.004310779542  0.000943106908
  31  Al  6.116998151759  6.056298950449  4.045463407828  -0.088170535890  0.058885576881  -0.121641755113  0.003885668874  -0.001711833852  -0.000586085143


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)
  -81.648163868921  -0.102382508347  0.019515048206
  -0.102382508347  -81.809139521531  -0.499386199058
  0.019515048206  -0.499386199058  -79.774950508577
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.052275257890  8.085969459131  8.077249119619  0.136869810928  0.013713656414  -0.098841897675  -0.004160663712  -0.001259444410  -0.002201361628
  1  Al  8.077919090708  1.992549574503  1.981228183344  0.126366134523  0.079790602948  0.002166418572  -0.001836364372  -0.002849095920  -0.003976672769
  2  Al  1.997728109036  8.054966514452  2.001178344888  0.058449631722  0.018380976777  0.100468383171  -0.002400090830  -0.004087315646  -0.002029402998
  3  Al  1.995686284164  2.011125717651  8.091160265249  0.022893738174  -0.018746248706  -0.165204985348  -0.002629785518  -0.001287832086  -0.001031812682
  4  Al  0.008174542049  8.065416429012  4.119252123482  0.103147760554  0.017078132687  -0.198235221903  0.000882551672  -0.003123614963  0.006039949235
  5  Al  0.006206353332  2.024181111015  6.101313347345  -0.014827796929  -0.035379593321  -0.072494859224  0.000541699721  -0.000118436637  0.002299412100
  6  Al  2.012218942122  8.093507264421  6.064962681421  -0.055790920371  0.169634197898  0.043762548487  -0.001244172443  -0.000359709914  -0.000861266871
  7  Al  2.021574596771  2.034332107983  4.077290352422  -0.022115813541  -0.068070716386  0.040831523440  -0.000342634196  0.000754163828  0.002538275412
  8  Al  8.081023264791  4.091800915683  8.040167286748  -0.005133279036  -0.117475292282  0.111139977193  -0.001730522609  0.003643811867  -0.005294824550
  9  Al  0.013890518544  6.069298005015  2.020886306551  -0.002085065951  -0.005743127602  0.080458137865  0.001270319495  -0.000523504842  -0.000262373700
  10  Al  2.051649548329  4.001294803181  2.018416922160  -0.063725721398  0.302063263100  0.130330118787  0.002345165904  -0.004017509756  -0.000429318822
  11  Al  2.035226963674  6.089755274428  0.050385917138  -0.095076349667  0.010091453762  0.098051128637  0.000797660911  0.001364260275  0.004726096219
  12  Al  8.075777779068  4.066191612711  4.012141962265  0.163673152936  0.008705566182  0.149279801686  -0.001984939721  0.001495518031  -0.003240183383
  13  Al  0.003913625411  6.059120311702  6.034378927514  -0.013666998483  0.016478748630  0.081894822528  0.000349036290  -0.001418874161  -0.003586623821
  14  Al  2.017030798021  4.032234961764  6.092545914479  -0.087479410360  -0.121536571136  -0.098290688524  -0.000848988936  -0.001781140694  0.001467921292
  15  Al  2.067352094540  6.081364842992  4.004759868403  -0.187470353144  -0.070275772379  -0.022768226687  0.003601058585  0.000487934096  -0.004161927144
  16  Al  4.100918283565  0.054612572436  8.098426489782  -0.019577709404  -0.018460783295  0.141896862641  0.004598795553  0.004952136617  0.000047314049
  17  Al  3.990089169779  1.977831625938  2.017622623884  0.201565139895  0.084495217749  -0.017322145111  -0.005177357650  -0.004179524671  -0.000694847726
  18  Al  6.114780881237  8.053933730518  1.970832456388  -0.192751746789  -0.014699100793  0.083950861625  0.003361268126  -0.004218606728  -0.004823040379
  19  Al  6.091663504712  2.077332679995  8.033936866922  -0.153473803622  -0.175700751060  0.024539728980  0.001306517667  0.004534032999  -0.005994082284
  20  Al  4.065460002565  0.056971527402  4.055242004030  -0.080334095503  -0.185325903122  -0.038444057301  0.001300681260  0.004936241119  0.000424944466
  21  Al  4.061935817264  2.008889104116  6.086706945135  0.030386305616  0.074434881148  0.109075247421  0.001124736125  -0.001372927391  0.001212133031
  22  Al  6.075631851062  0.005032202832  6.081475020319  0.018732690374  0.184300132059  0.065102992167  0.000087808994  0.000708787024  0.000676311013
  23  Al  6.116525231870  2.033335924903  4.035648855319  -0.125793650119  -0.008370264164  0.196461806169  0.003609462730  0.000744159835  -0.001035891157
  24  Al  4.060609493396  4.044091156136  0.058356950912  0.077258856926  -0.062927507037  -0.181079113039  0.001067871115  -0.000619242325  0.005077150800
  25  Al  4.030764984656  6.127272290597  2.074517471980  0.052731117167  -0.096089107267  -0.109846316158  -0.001691770555  0.004621665501  0.004366132844
  26  Al  6.047388152962  4.089707769963  1.988795357466  0.003407748010  0.036361957734  0.078323226973  -0.002516360764  0.003669376078  -0.003199790991
  27  Al  6.053970729261  6.098363790566  0.047681789264  0.022759385643  -0.091398388680  -0.100904198291  -0.001875163932  0.002005392912  0.004218309446
  28  Al  4.061117633595  4.072110315574  4.089172446628  -0.028617408241  -0.004389351034  -0.170007445488  0.000970739674  0.001999289146  0.003324950440
  29  Al  4.004864801478  6.089892390863  6.144047262439  0.234653114613  -0.040139969014  -0.149966816743  -0.003784947906  0.001301977395  0.006067448394
  30  Al  6.087634624216  4.002004564151  6.084991294372  -0.010054766669  0.059229542802  0.011702178681  0.001139037472  -0.004300734887  0.000945313744
  31  Al  6.118937057897  6.055445660007  4.045164925969  -0.094919697857  0.059970117390  -0.126029793530  0.003869354035  -0.001701231694  -0.000608235015


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)
  -81.495255678871  -0.110708409180  0.022091728199
  -0.110708409180  -81.667505138350  -0.542416864085
  0.022091728199  -0.542416864085  -79.455873366091
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.050201028241  8.085340345131  8.076144012236  0.144538023852  0.014440770424  -0.102477246706  -0.004135571304  -0.001256947217  -0.002219394193
  1  Al  8.077006550058  1.991128582319  1.979239928673  0.132483886317  0.082467101541  0.004119309329  -0.001813252068  -0.002834634901  -0.003976173385
  2  Al  1.996530667170  8.052923662707  2.000168126572  0.057971202067  0.022312385704  0.105883409726  -0.002389720565  -0.004083741960  -0.002010987072
  3  Al  1.994372404745  2.010480958759  8.090636970380  0.020101416408  -0.020888587457  -0.170250718003  -0.002625983123  -0.001291395700  -0.001061818657
  4  Al  0.008620431909  8.063855373037  4.122263260028  0.107745063281  0.018319384902  -0.208052562875  0.000901419376  -0.003120499565  0.006003722124
  5  Al  0.006476542456  2.024120310791  6.102459821646  -0.013818987162  -0.038772950123  -0.077910056563  0.000539147221  -0.000125067738  0.002286002073
  6  Al  2.011594357334  8.093334990683  6.064534000880  -0.059324923476  0.175330541554  0.045150892543  -0.001254483374  -0.000328875723  -0.000853331558
  7  Al  2.021402289800  2.034706150029  4.078561324936  -0.025647260859  -0.071799568234  0.041497357857  -0.000346909606  0.000741671288  0.002545675546
  8  Al  8.080157767449  4.093617584371  8.037524822253  -0.003990139519  -0.122271039691  0.116683612144  -0.001731365467  0.003622435867  -0.005274540417
  9  Al  0.014525589922  6.069035993887  2.020758715153  -0.002719874847  -0.004792236007  0.084735979485  0.001269909918  -0.000524454940  -0.000247609472
  10  Al  2.052819291684  3.999299535142  2.018208086825  -0.070469151523  0.313281435043  0.138021154892  0.002333205775  -0.003962561139  -0.000405334970
  11  Al  2.035621547285  6.090437860839  0.052753366072  -0.100629717960  0.010605112230  0.099433103878  0.000780177335  0.001366132011  0.004743825660
  12  Al  8.074792617790  4.066939766550  4.010528531004  0.171927246267  0.007207556247  0.154933067207  -0.001954968270  0.001496964192  -0.003213037724
  13  Al  0.004087533974  6.058411605820  6.032589262631  -0.014632881422  0.018484023012  0.084249319464  0.000346511772  -0.001415770810  -0.003571826958
  14  Al  2.016602390026  4.031338952002  6.093275487149  -0.092574012318  -0.125178663037  -0.104635384487  -0.000865099069  -0.001803225059  0.001449802792
  15  Al  2.069144257670  6.081605670594  4.002677871271  -0.197905895239  -0.072318991132  -0.020314951733  0.003566662597  0.000475193799  -0.004165844255
  16  Al  4.103216823715  0.057087834389  8.098456489725  -0.020880691922  -0.021980463255  0.147494736140  0.004595250919  0.004948599076  0.000073186404
  17  Al  3.987509481152  1.975745624613  2.017274423085  0.208558672499  0.086789907360  -0.015768058979  -0.005140774028  -0.004164277531  -0.000697816922
  18  Al  6.116452912150  8.051823754065  1.968424670429  -0.198023054377  -0.013255431246  0.090988700487  0.003326385735  -0.004221172230  -0.004807476656
  19  Al  6.092309908291  2.079591859979  8.030940899900  -0.156206582856  -0.186375707652  0.029352772778  0.001278852792  0.004501734690  -0.005989358591
  20  Al  4.066106757237  0.059431382734  4.055452759444  -0.084778568068  -0.193893742291  -0.039801863255  0.001285940649  0.004902416536  0.000417955966
  21  Al  4.062499547861  2.008205962412  6.087317891885  0.030589493598  0.076913970918  0.111205108662  0.001130205056  -0.001359418401  0.001231845165
  22  Al  6.075676593238  0.005394837189  6.081816088478  0.021206977334  0.190320349319  0.065838246316  0.000091380982  0.000742289248  0.000688027800
  23  Al  6.118324354032  2.033707633503  4.035139687573  -0.128296628444  -0.010139101200  0.203080908867  0.003586803840  0.000742516805  -0.001000188332
  24  Al  4.061146886458  4.043778719782  0.060887451450  0.079006612748  -0.064855586499  -0.190655377929  0.001081858049  -0.000630675876  0.005043997607
  25  Al  4.029921450007  6.129578845776  2.076695644917  0.055848050271  -0.098096768656  -0.114573891569  -0.001682090191  0.004604377990  0.004346138364
  26  Al  6.046130115335  4.091544097324  1.987198950820  0.008299841206  0.036134799574  0.085318505668  -0.002515353692  0.003675915015  -0.003185211758
  27  Al  6.053034157499  6.099362409174  0.049786449649  0.025226778232  -0.093860450959  -0.108113996712  -0.001870903469  0.001988862319  0.004199689580
  28  Al  4.061601727936  4.073109771548  4.090827335221  -0.030864772594  -0.003578878811  -0.175608717787  0.000965437238  0.001998608239  0.003294104660
  29  Al  4.002982802040  6.090541590270  6.147074306249  0.242271939624  -0.040262366440  -0.156285643326  -0.003742370347  0.001294809908  0.006040164874
  30  Al  6.088203697840  3.999856827890  6.085464477923  -0.008497899254  0.064805595637  0.007225963834  0.001137396783  -0.004289713803  0.000947020792
  31  Al  6.120867506754  6.054597718333  4.044855172662  -0.096514161864  0.064907599224  -0.130763679350  0.003852300719  -0.001690094389  -0.000631201922


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)
  -81.333937067802  -0.118214667353  0.025484140509
  -0.118214667353  -81.520096202195  -0.585551586070
  0.025484140509  -0.585551586070  -79.126738320980
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.048139685467  8.084712511573  8.075029724826  0.150963424423  0.015558885600  -0.105572996372  -0.004109227461  -0.001254287741  -0.002238033629
  1  Al  8.076105838149  1.989714938835  1.977252008883  0.137397682445  0.086784068095  0.003474305753  -0.001789157081  -0.002819554562  -0.003975565680
  2  Al  1.995338387824  8.050882771387  1.999167357272  0.061142922484  0.027042699958  0.109173802051  -0.002379114520  -0.004079402700  -0.001991796927
  3  Al  1.993060300330  2.009834321601  8.090098446305  0.021418416342  -0.021405936665  -0.174696329063  -0.002622318244  -0.001295199948  -0.001092675963
  4  Al  0.009075961669  8.062295928603  4.125255847231  0.111960379991  0.020096670581  -0.218165968282  0.000921077200  -0.003117121016  0.005965725596
  5  Al  0.006745500698  2.024056043243  6.103599350037  -0.013946552723  -0.040419352080  -0.080715796702  0.000536674628  -0.000132149777  0.002271861819
  6  Al  2.010964458409  8.093178388609  6.064109349632  -0.058790769079  0.181272258685  0.048758075865  -0.001265065381  -0.000297001281  -0.000844951359
  7  Al  2.021227687071  2.035073779472  4.079836028657  -0.024946566965  -0.074034083867  0.041674496599  -0.000351438908  0.000728647019  0.002553156681
  8  Al  8.079291898856  4.095423352530  8.034892744904  -0.004542149217  -0.127431532486  0.122482885119  -0.001732159242  0.003600177264  -0.005253253309
  9  Al  0.015160428806  6.068773549933  2.020638697012  -0.004401506864  -0.005471984294  0.086237665523  0.001269295994  -0.000525381949  -0.000232328842
  10  Al  2.053982754736  3.997332240969  2.018011587080  -0.073143932411  0.323577152370  0.143463092272  0.002320408510  -0.003905696835  -0.000380177504
  11  Al  2.036007141221  6.091121406809  0.055129744083  -0.102548713141  0.009475668705  0.100491623542  0.000762027126  0.001367951686  0.004761783856
  12  Al  8.073822810270  4.067688577307  4.008928923671  0.178914222461  0.005158977999  0.160237615376  -0.001923637995  0.001498096553  -0.003184918938
  13  Al  0.004260137276  6.057704540509  6.030807099589  -0.016765692242  0.018534087420  0.089421002506  0.000343710938  -0.001412486727  -0.003556364741
  14  Al  2.016165698718  4.030431736218  6.093995717664  -0.093482458900  -0.129085932277  -0.108667539456  -0.000881748020  -0.001825988614  0.001430759437
  15  Al  2.070918758102  6.081840036920  4.000594023021  -0.204407932524  -0.075797233447  -0.017864869267  0.003530759533  0.000461960698  -0.004169332094
  16  Al  4.105513535728  0.059561172851  8.098499676205  -0.021386806873  -0.024717052937  0.153234892864  0.004591554445  0.004944512882  0.000100072975
  17  Al  3.984948394360  1.973667347280  2.016924806773  0.216690022092  0.091225531681  -0.016684281610  -0.005102848758  -0.004148437463  -0.000700730654
  18  Al  6.118107267872  8.049712557146  1.966024978431  -0.206943663678  -0.010988300397  0.095271713999  0.003290241203  -0.004223415172  -0.004790910999
  19  Al  6.092942357851  2.081834415904  8.027947506709  -0.162788942077  -0.195073763630  0.035111638176  0.001250357447  0.004467713638  -0.005983702662
  20  Al  4.066745943562  0.061873945266  4.055659960109  -0.088848614735  -0.201696782698  -0.041336322299  0.001270441376  0.004867138444  0.000410709684
  21  Al  4.063066022626  2.007529685347  6.087938790634  0.031694816565  0.081450943871  0.115646733229  0.001135793508  -0.001345284891  0.001252147791
  22  Al  6.075723232069  0.005774492281  6.082163048306  0.019817625407  0.196653694350  0.069311672040  0.000095050221  0.000776898054  0.000700122531
  23  Al  6.120112036682  2.034078441909  4.034648666716  -0.134954226145  -0.009658520717  0.209188679984  0.003563333382  0.000740760185  -0.000963349289
  24  Al  4.061691351737  4.043460480090  0.063400949883  0.082187452012  -0.067754883421  -0.200119665686  0.001096288178  -0.000642542554  0.005009152553
  25  Al  4.029082894010  6.131876669832  2.078863611520  0.060247564545  -0.101894326182  -0.121673900511  -0.001671741336  0.004586581173  0.004325095572
  26  Al  6.044872798590  4.093383685973  1.985610144846  0.009264789350  0.034927122626  0.089746430486  -0.002513828431  0.003682333749  -0.003169617942
  27  Al  6.052099825286  6.100352653423  0.051881479980  0.024216737067  -0.098475876399  -0.115630543133  -0.001866516698  0.001971703027  0.004179761959
  28  Al  4.062083071095  4.074108924354  4.092466552179  -0.031936813768  -0.003525346154  -0.181247952844  0.000959840049  0.001998008891  0.003262260593
  29  Al  4.001122430119  6.091187201122  6.150087428948  0.250945298608  -0.042311693635  -0.160203103775  -0.003698343653  0.001287450953  0.006011978852
  30  Al  6.088772021307  3.997714849187  6.085938315421  -0.010916200782  0.070421505846  0.005123404466  0.001135681517  -0.004277701262  0.000948141776
  31  Al  6.122789359658  6.053755565161  4.044533723877  -0.102109811668  0.067563333499  -0.135470460851  0.003834612662  -0.001678281722  -0.000655014579


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)
  -81.167599564406  -0.126424434447  0.029007782154
  -0.126424434447  -81.365913526740  -0.630631787756
  0.029007782154  -0.630631787756  -78.785500967837
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.046091799572  8.084086057021  8.073905977949  0.159129203486  0.016640690481  -0.108541872086  -0.004081588330  -0.001251434493  -0.002257220866
  1  Al  8.075217392451  1.988309026927  1.975264361824  0.143725822123  0.090068779008  0.004863537064  -0.001764060812  -0.002803800979  -0.003974900785
  2  Al  1.994151551950  8.048844258807  1.998176329059  0.061237517741  0.032024884759  0.113849749296  -0.002368221862  -0.004074204658  -0.001971898910
  3  Al  1.991750085729  2.009185758430  8.089544294095  0.019752633214  -0.022932200948  -0.178864103251  -0.002618690649  -0.001299190017  -0.001124306469
  4  Al  0.009541509380  8.060738251105  4.128228987378  0.117223460703  0.022094532484  -0.228668324180  0.000941584937  -0.003113412238  0.005925899328
  5  Al  0.007013217241  2.023988160975  6.104731684133  -0.012292271576  -0.043084011353  -0.085439740214  0.000534339740  -0.000139617671  0.002257053487
  6  Al  2.010329291581  8.093037989315  6.063689049273  -0.060999442020  0.186998951222  0.050981141151  -0.001275800271  -0.000264083771  -0.000836051763
  7  Al  2.021050850789  2.035434797262  4.081114482367  -0.027534800488  -0.077016523422  0.041708789238  -0.000356137871  0.000715157818  0.002560662869
  8  Al  8.078425607698  4.097217762694  8.032271567399  -0.003188258001  -0.132434891377  0.128443481332  -0.001732885421  0.003577018058  -0.005230926823
  9  Al  0.015794886289  6.068510611784  2.020526386243  -0.004590425473  -0.005155626581  0.089383622869  0.001268517818  -0.000526342699  -0.000216632966
  10  Al  2.055139700876  3.995393837159  2.017827909210  -0.079096597527  0.333692182187  0.150404800218  0.002306845165  -0.003847015911  -0.000353913351
  11  Al  2.036383574635  6.091805812927  0.057515151329  -0.107174382356  0.009186260506  0.101432299274  0.000743293268  0.001369647769  0.004779932329
  12  Al  8.072868979229  4.068437863544  4.007343611129  0.187707857894  0.002733029837  0.165303614576  -0.001890900859  0.001498832439  -0.003155879981
  13  Al  0.004431245012  6.056999118678  6.029032896845  -0.017416909340  0.019701185699  0.092966644059  0.000340661966  -0.001409097089  -0.003540131267
  14  Al  2.015720641747  4.029512962851  6.094706247007  -0.097342241984  -0.132875752179  -0.114371007000  -0.000898825646  -0.001849445023  0.001410848718
  15  Al  2.072675018242  6.082067631428  3.998508537950  -0.213862698741  -0.078397906761  -0.015110266715  0.003493437552  0.000448184975  -0.004172364512
  16  Al  4.107808379511  0.062032348725  8.098556562729  -0.023402989306  -0.027900646866  0.158863877378  0.004587643212  0.004939908980  0.000127976698
  17  Al  3.982406630894  1.971597185930  2.016573692224  0.222960636529  0.094521346152  -0.016012820906  -0.005063647234  -0.004131915663  -0.000703667973
  18  Al  6.119743154320  8.047600337652  1.963633758021  -0.212519312998  -0.008307091312  0.101664838051  0.003252807755  -0.004225225713  -0.004773401851
  19  Al  6.093560266106  2.084059574930  8.024957195478  -0.166105335976  -0.205119474168  0.041333247467  0.001220979550  0.004432026754  -0.005976989650
  20  Al  4.067377198986  0.064298522610  4.055863469249  -0.094166206280  -0.209748418542  -0.042755494251  0.001254105540  0.004830453721  0.000403200175
  21  Al  4.063635341704  2.006860677125  6.088570040044  0.031013650570  0.084716371164  0.118363040410  0.001141422660  -0.001330456742  0.001273093672
  22  Al  6.075771643487  0.006171735472  6.082516211216  0.021257254525  0.202528873701  0.070839885879  0.000098724249  0.000812600794  0.000712666289
  23  Al  6.121887688462  2.034448393906  4.034176338001  -0.138151856825  -0.010575279863  0.214774115999  0.003538989802  0.000738966280  -0.000925466433
  24  Al  4.062243174958  4.043136177039  0.065896605476  0.083368574138  -0.070244949945  -0.209476806895  0.001111111123  -0.000654892780  0.004972635982
  25  Al  4.028249708178  6.134165428298  2.081020741761  0.063044134032  -0.104547727864  -0.127329244483  -0.001660752887  0.004568218093  0.004302922226
  26  Al  6.043616286165  4.095226432156  1.984029331946  0.013583687324  0.033476304838  0.095981811682  -0.002511836681  0.003688523602  -0.003153077986
  27  Al  6.051167640252  6.101334112781  0.053966212838  0.025885867858  -0.101964549027  -0.123355203504  -0.001862075314  0.001953823540  0.004158481228
  28  Al  4.062561568268  4.075107781027  4.094089596774  -0.034768576384  -0.003188363438  -0.186784787367  0.000953896011  0.001997449146  0.003229424452
  29  Al  3.999284457299  6.091829041602  6.153086286870  0.257794514488  -0.043119057178  -0.165600834221  -0.003652937102  0.001279839498  0.005982973661
  30  Al  6.089339379691  3.995579125370  6.086412619978  -0.010313048807  0.076403575806  0.001121820954  0.001133806617  -0.004264661697  0.000948719302
  31  Al  6.124702120544  6.052919436117  4.044200157890  -0.104759460542  0.071825502977  -0.139969811827  0.003816196161  -0.001665854318  -0.000679652263


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)
  -80.992419011656  -0.133836839164  0.033913196382
  -0.133836839164  -81.206251360070  -0.676334651360
  0.033913196382  -0.676334651360  -78.435596652807
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.044058095836  8.083461076682  8.072772503241  0.163322182000  0.017354067560  -0.112401114692  -0.004052854128  -0.001248423882  -0.002277024705
  1  Al  8.074341776775  1.986911136963  1.973277106832  0.146269679057  0.095430632960  0.003896964268  -0.001738175338  -0.002787281196  -0.003974208218
  2  Al  1.992970165207  8.046808565431  1.997195457733  0.065151339296  0.037124774210  0.116712685023  -0.002356976651  -0.004068115545  -0.001951331511
  3  Al  1.990441608848  2.008535131170  8.088974139477  0.021966575538  -0.022372687935  -0.183593765871  -0.002615020642  -0.001303269909  -0.001156735956
  4  Al  0.010017546906  8.059182515373  4.131181748446  0.119121598044  0.023597506611  -0.237900987480  0.000962735730  -0.003109398339  0.005884322984
  5  Al  0.007279840608  2.023916425527  6.105856404242  -0.014545749323  -0.043818786575  -0.088132460192  0.000531952594  -0.000147389993  0.002241587534
  6  Al  2.009688657731  8.092914304753  6.063273297603  -0.058952702027  0.191616282150  0.055118227375  -0.001286553119  -0.000230241466  -0.000826585506
  7  Al  2.020871549087  2.035788937518  4.082396692341  -0.025861929677  -0.078153700634  0.042451535880  -0.000360919676  0.000701301854  0.002568245211
  8  Al  8.077559012883  4.099000371728  8.029661816415  -0.005635481733  -0.137127797062  0.133468359451  -0.001733713774  0.003553000619  -0.005207631080
  9  Al  0.016428947028  6.068247207067  2.020422063976  -0.008660125254  -0.006841380748  0.090461393364  0.001267362136  -0.000527427236  -0.000200559702
  10  Al  2.056289600635  3.993485223833  2.017657673616  -0.081085868376  0.343622202534  0.155362307462  0.002292577394  -0.003786551492  -0.000326585739
  11  Al  2.036750434726  6.092491055013  0.059909677934  -0.107499247178  0.006764690441  0.100195428989  0.000724118322  0.001371105016  0.004798066894
  12  Al  8.071931908809  4.069187410224  4.005773042685  0.192467314784  0.000724680413  0.171345192570  -0.001856956184  0.001499175732  -0.003125855419
  13  Al  0.004600799351  6.056295442971  6.027266967195  -0.021807116729  0.018755533681  0.098551067441  0.000337163092  -0.001405691173  -0.003523090233
  14  Al  2.015266872786  4.028582290606  6.095406566831  -0.096682815219  -0.135515646742  -0.117972020451  -0.000916192042  -0.001873481468  0.001390109341
  15  Al  2.074412196766  6.082288222037  3.996421657180  -0.219183465165  -0.082785161057  -0.010596933500  0.003454802730  0.000433785374  -0.004174757872
  16  Al  4.110101180401  0.064501083405  8.098627652944  -0.021783835336  -0.031774417148  0.163155434397  0.004583708090  0.004934686636  0.000156768248
  17  Al  3.979884745513  1.969535430301  2.016221138576  0.233091562801  0.099786925426  -0.017010031086  -0.005022991465  -0.004114638645  -0.000706636270
  18  Al  6.121360076663  8.045487330088  1.961251575060  -0.222228116919  -0.005803519443  0.105874395745  0.003214015353  -0.004226583538  -0.004754956605
  19  Al  6.094163337789  2.086266444069  8.021970515156  -0.173117471419  -0.213315489194  0.047200006587  0.001190680757  0.004394719577  -0.005969211019
  20  Al  4.068000049501  0.066704400524  4.056063160412  -0.095919717538  -0.217960651032  -0.042954214773  0.001237140389  0.004792326520  0.000395546891
  21  Al  4.064207445650  2.006199228182  6.089211884712  0.034007032958  0.090175705540  0.122742469280  0.001147261554  -0.001314851666  0.001294677610
  22  Al  6.075821956350  0.006587093333  6.082875714822  0.018514285336  0.207584339418  0.074425100234  0.000102282089  0.000849283577  0.000725669275
  23  Al  6.123651027610  2.034817408424  4.033723199988  -0.145705414345  -0.009180778335  0.221200400890  0.003513693555  0.000737216930  -0.000886511268
  24  Al  4.062802463215  4.042805587101  0.068373587449  0.087981773364  -0.072162155900  -0.220491342524  0.001126455233  -0.000667638954  0.004934310061
  25  Al  4.027422140594  6.136444889380  2.083166535117  0.070112899592  -0.108923339283  -0.135024022063  -0.001648886468  0.004549237861  0.004279565862
  26  Al  6.042360961109  4.097072210749  1.982457065855  0.014236417235  0.031999967802  0.100485397989  -0.002509406822  0.003694461298  -0.003135585641
  27  Al  6.050237749379  6.102306477585  0.056039962533  0.023454607117  -0.107346464148  -0.132797306875  -0.001857706713  0.001935155612  0.004135675920
  28  Al  4.063036967410  4.076106374135  4.095695977660  -0.033717312250  -0.002652977596  -0.190709587457  0.000947795098  0.001996972468  0.003195749959
  29  Al  3.997469491854  6.092467041027  6.156070404514  0.268162469695  -0.046064206919  -0.168673609333  -0.003605999659  0.001271895664  0.005953225823
  30  Al  6.089905828285  3.993450186132  6.086887035025  -0.013900339468  0.083526138150  -0.001421938690  0.001131667782  -0.004250461160  0.000948714101
  31  Al  6.126605557034  6.052089710313  4.043854071397  -0.111573028862  0.073735712853  -0.142967031959  0.003796942972  -0.001652879077  -0.000704962405


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)
  -80.812935425847  -0.142301657178  0.038088931118
  -0.142301657178  -81.039958020546  -0.723207694894
  0.038088931118  -0.723207694894  -78.073656305178
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.042038944051  8.082837632710  8.071628952461  0.171793100738  0.018130519762  -0.115257714822  -0.004022998218  -0.001245283441  -0.002297435685
  1  Al  8.073479216516  1.985521744773  1.971290152240  0.152798595036  0.097963462423  0.006496834464  -0.001711482908  -0.002770062889  -0.003973380547
  2  Al  1.991794574489  8.044776141864  1.996224996877  0.063788108635  0.042903290676  0.122418965927  -0.002345509625  -0.004061064938  -0.001930002888
  3  Al  1.989135064188  2.007882488073  8.088387557742  0.018590350076  -0.024597940141  -0.187195335813  -0.002611461647  -0.001307502403  -0.001189914224
  4  Al  0.010504245441  8.057628851697  4.134113312385  0.124341627488  0.025739478801  -0.248250193388  0.000984526051  -0.003105067033  0.005841011189
  5  Al  0.007545170019  2.023840770931  6.106973272438  -0.012405913307  -0.047255377888  -0.094211277266  0.000529556695  -0.000155535831  0.002225343193
  6  Al  2.009042738019  8.092807747770  6.062862463482  -0.061815658052  0.196185600312  0.056274662782  -0.001297382736  -0.000195577684  -0.000816648050
  7  Al  2.020689930989  2.036136099357  4.083682728461  -0.029762663012  -0.081910879792  0.042158303638  -0.000365901761  0.000687009926  0.002575874986
  8  Al  8.076691893327  4.100770764534  8.027063934529  -0.003636832877  -0.141834572687  0.139251157227  -0.001734587019  0.003528152034  -0.005183382884
  9  Al  0.017062248861  6.067983184367  2.020325826472  -0.008904804533  -0.005762319060  0.094394574340  0.001265824204  -0.000528567488  -0.000184038619
  10  Al  2.057432279058  3.991607284365  2.017501323358  -0.088686925369  0.353062692587  0.163337726577  0.002277458203  -0.003724364290  -0.000298102156
  11  Al  2.037107693205  6.093176918414  0.062313219872  -0.112925986993  0.006966966795  0.099689492952  0.000704430706  0.001372367663  0.004816059285
  12  Al  8.071012022407  4.069937039791  4.004217754636  0.201336220000  -0.001921357764  0.176386126801  -0.001821797414  0.001499107051  -0.003094847945
  13  Al  0.004768408220  6.055593427022  6.025509805401  -0.022264242604  0.020729620982  0.101103677983  0.000333231707  -0.001402197097  -0.003505331021
  14  Al  2.014804449389  4.027639480739  6.096096356825  -0.101362869165  -0.138173674543  -0.124695960504  -0.000933920825  -0.001897997284  0.001368450230
  15  Al  2.076129822160  6.082501416950  3.994333778644  -0.229662198237  -0.084640928351  -0.006349459702  0.003414763993  0.000418828488  -0.004176379550
  16  Al  4.112392089177  0.066967037057  8.098713331030  -0.023907452542  -0.036175846377  0.168017185131  0.004579740380  0.004928737931  0.000186379236
  17  Al  3.977383637702  1.967482545871  2.015867055712  0.238762222423  0.102071811201  -0.014787333175  -0.004980935857  -0.004096697509  -0.000709497023
  18  Al  6.122957170778  8.043373752661  1.958878799781  -0.226167321168  -0.002541737626  0.113553426367  0.003174010714  -0.004227437595  -0.004735461145
  19  Al  6.094750947272  2.088454296018  8.018987982407  -0.174741795721  -0.224409033940  0.054225759849  0.001159612402  0.004355699089  -0.005960296020
  20  Al  4.068614339800  0.069090850777  4.056259016276  -0.101506612564  -0.226072140670  -0.043724376951  0.001219521993  0.004752752228  0.000387807892
  21  Al  4.064782603652  2.005545825007  6.089864718099  0.032905730933  0.092701439972  0.123829316679  0.001153272897  -0.001298535960  0.001316754318
  22  Al  6.075873925611  0.007021019340  6.083241880740  0.020846834625  0.212244737691  0.074704094134  0.000105803604  0.000886838185  0.000739020033
  23  Al  6.125401383224  2.035185611089  4.033289826429  -0.147340260640  -0.010869280015  0.226282148853  0.003487584911  0.000735443281  -0.000846528775
  24  Al  4.063369630579  4.042468537856  0.070830917233  0.088542537638  -0.073878728665  -0.230595031108  0.001142265367  -0.000680712133  0.004894108803
  25  Al  4.026600821143  6.138714667722  2.085300309094  0.072962454276  -0.110577892584  -0.139945410942  -0.001636137595  0.004529730582  0.004255092810
  26  Al  6.041106878480  4.098920894724  1.980893745227  0.020405905370  0.030164958103  0.108343125634  -0.002506373897  0.003700113262  -0.003116996389
  27  Al  6.049309932900  6.103269269058  0.058101890179  0.026027599580  -0.109729243980  -0.141605648839  -0.001853330445  0.001915798388  0.004111249835
  28  Al  4.063509363692  4.077104754182  4.097285347832  -0.036813191099  -0.002020975262  -0.195405833246  0.000941513855  0.001996605637  0.003161312715
  29  Al  3.995678456401  6.093100937703  6.159039514739  0.274027862125  -0.045891176433  -0.174546089430  -0.003557619728  0.001263707307  0.005922693928
  30  Al  6.090471047862  3.991328662749  6.087361334406  -0.012361491204  0.090626729872  -0.007322863652  0.001129348876  -0.004235000411  0.000947956551
  31  Al  6.128499064821  6.051266556472  4.043495195243  -0.112862929857  0.078771796600  -0.146574050498  0.003776975305  -0.001639287067  -0.000730865521


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)
  -80.624067456140  -0.149672865242  0.043778836365
  -0.149672865242  -80.867944124708  -0.770283103223
  0.043778836365  -0.770283103223  -77.704439566080
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.040035096130  8.082215792780  8.070475066707  0.177588676387  0.019236218520  -0.117338330234  -0.003991877972  -0.001241978334  -0.002318295405
  1  Al  8.072630293234  1.984141073049  1.969303724815  0.156777736415  0.102484996212  0.006071541810  -0.001683855394  -0.002752221651  -0.003972370203
  2  Al  1.990624654715  8.042747498991  1.995265454131  0.066114745046  0.049512936743  0.125426037703  -0.002333963102  -0.004052918649  -0.001907900421
  3  Al  1.987830146235  2.007227628284  8.087784224814  0.019295233635  -0.024871140354  -0.189756736865  -0.002608149103  -0.001311962243  -0.001223647884
  4  Al  0.011002073320  8.056077447191  4.137022761796  0.127469545640  0.028263737867  -0.259155432950  0.001007066186  -0.003100327636  0.005795815348
  5  Al  0.007809397499  2.023760889639  6.108081748258  -0.012851188173  -0.048734160276  -0.097208750243  0.000527313792  -0.000164121786  0.002208293572
  6  Al  2.008391274515  8.092718726997  6.062456649251  -0.060437964940  0.200657023151  0.060317877821  -0.001308349269  -0.000160105295  -0.000806247890
  7  Al  2.020505647191  2.036475947698  4.084972568280  -0.029418651780  -0.083684261204  0.040948647989  -0.000371203037  0.000672225209  0.002583378232
  8  Al  8.075824425222  4.102528525066  8.024478431614  -0.004558498640  -0.146824149337  0.145706039233  -0.001735369138  0.003502446358  -0.005158055315
  9  Al  0.017694771700  6.067718639384  2.020238025290  -0.011683019675  -0.006600227795  0.095133721740  0.001264019727  -0.000529687775  -0.000167099924
  10  Al  2.058567059681  3.989760858165  2.017359571350  -0.092145580053  0.361511466032  0.168492823457  0.002261356599  -0.003660587117  -0.000268444808
  11  Al  2.037454865693  6.093863423184  0.064725739001  -0.114336266733  0.005094452363  0.098785948866  0.000684133410  0.001373485086  0.004833940407
  12  Al  8.070110110721  4.070686517829  4.002678193595  0.207637021230  -0.005077591843  0.180725242968  -0.001785286903  0.001498524079  -0.003063010209
  13  Al  0.004934031181  6.054893245355  6.023761634877  -0.025258866667  0.020464835838  0.106897239698  0.000328992613  -0.001398554263  -0.003486835550
  14  Al  2.014332951616  4.026684292620  6.096775017567  -0.101654375551  -0.140680169457  -0.128584736145  -0.000952097311  -0.001922981092  0.001345845799
  15  Al  2.077826962022  6.082707050680  3.992245276085  -0.235857082367  -0.088351521120  -0.002192369492  0.003373243646  0.000403374802  -0.004177262258
  16  Al  4.114680922475  0.069429823159  8.098814032249  -0.023893339360  -0.040226831512  0.173145687593  0.004575597524  0.004922047999  0.000216884711
  17  Al  3.974903807814  1.965438731277  2.015511641291  0.246808202529  0.106707840281  -0.015410447751  -0.004937667576  -0.004078149277  -0.000712216949
  18  Al  6.124534088551  8.041259890929  1.956516112163  -0.233884812747  0.001346420715  0.118290469200  0.003132972270  -0.004227664977  -0.004714869167
  19  Al  6.095322950620  2.090622144769  8.016010216931  -0.180068329532  -0.233368675645  0.062511642425  0.001127925227  0.004314897668  -0.005950029549
  20  Al  4.069219571946  0.071457154511  4.056450968447  -0.104886688151  -0.233785241418  -0.044822370849  0.001201105078  0.004711776203  0.000379902816
  21  Al  4.065360718974  2.004900691742  6.090528639517  0.034115593575  0.097428675134  0.127564833115  0.001159297522  -0.001281575235  0.001339266642
  22  Al  6.075927759993  0.007473931847  6.083614735128  0.019042442425  0.216878517575  0.077955039128  0.000109372745  0.000925227340  0.000752688918
  23  Al  6.127138613812  2.035552851977  4.032876670901  -0.153188047809  -0.010301604006  0.230543092042  0.003460816931  0.000733571558  -0.000805712463
  24  Al  4.063944729004  4.042124874716  0.073267698063  0.091603044081  -0.076010674720  -0.240425139439  0.001158403053  -0.000694131740  0.004852138848
  25  Al  4.025786002394  6.140974621638  2.087421629501  0.078673576237  -0.114164378114  -0.147737127141  -0.001622627889  0.004509767628  0.004229495130
  26  Al  6.039854586285  4.100772325380  1.979340068313  0.022774574288  0.027482230765  0.113127781331  -0.002502584991  0.003705372441  -0.003097285622
  27  Al  6.048384418248  6.104222276682  0.060151213888  0.024790146705  -0.114418751129  -0.150616329431  -0.001848840145  0.001895814042  0.004085242225
  28  Al  4.063978481613  4.078102980510  4.098857291544  -0.037486777260  -0.001806824787  -0.200172068809  0.000934898235  0.001996320350  0.003126037943
  29  Al  3.993911870810  6.093730748802  6.161993100632  0.282423728174  -0.047885977445  -0.177546395578  -0.003507974052  0.001255359601  0.005891385502
  30  Al  6.091035177578  3.989215184154  6.087834991927  -0.014940100542  0.098108955291  -0.010449512104  0.001126940294  -0.004218248065  0.000946394716
  31  Al  6.130382533736  6.050450422640  4.043123205606  -0.118564676385  0.081613873676  -0.150227919087  0.003756393218  -0.001624995228  -0.000757420628


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)
  -80.429891475854  -0.157651369652  0.049089227660
  -0.157651369652  -80.689506345033  -0.818034385473
  0.049089227660  -0.818034385473  -77.325096504945
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.038047064494  8.081595653882  8.069310656135  0.185010929769  0.020279546854  -0.119530063262  -0.003959587783  -0.001238484947  -0.002339545068
  1  Al  8.071795360453  1.982769522030  1.967317780460  0.162059237968  0.105902620204  0.007175362556  -0.001655404487  -0.002733678848  -0.003971311784
  2  Al  1.989460610461  8.040723221606  1.994317095699  0.066048903453  0.056513150832  0.129617578880  -0.002322221525  -0.004043568255  -0.001885159786
  3  Al  1.986526914049  2.006570525309  8.087163909372  0.017503788932  -0.026324773828  -0.192198137666  -0.002604941882  -0.001316580764  -0.001257833701
  4  Al  0.011511312026  8.054528522830  4.139909130034  0.131661840706  0.030957690540  -0.270006906544  0.001030264630  -0.003095131430  0.005748691485
  5  Al  0.008072484020  2.023676649080  6.109181566886  -0.011683099408  -0.051316653058  -0.101754860929  0.000525137116  -0.000173071602  0.002190576048
  6  Al  2.007734388230  8.092647642411  6.062056215273  -0.061221006245  0.204705611207  0.063116912179  -0.001319267125  -0.000123870652  -0.000795238275
  7  Al  2.020318727805  2.036808324833  4.086266107718  -0.031558334055  -0.086473935021  0.039714713118  -0.000376666185  0.000657034240  0.002590671449
  8  Al  8.074956523501  4.104273212282  8.021905877166  -0.003807950423  -0.151677057450  0.152043073754  -0.001736172089  0.003475871105  -0.005131599757
  9  Al  0.018326269090  6.067453496381  2.020158726481  -0.013143765506  -0.006331453361  0.097134380581  0.001261840245  -0.000530860660  -0.000149916309
  10  Al  2.059693636554  3.987946695795  2.017232878444  -0.098237813263  0.369658163688  0.174944096643  0.002244407834  -0.003595336000  -0.000237749801
  11  Al  2.037791826886  6.094550404045  0.067147162198  -0.117943191414  0.004259632454  0.097316495029  0.000663389132  0.001374364867  0.004851625271
  12  Al  8.069226734795  4.071435564464  4.001154743211  0.215458889628  -0.008497451877  0.185113217455  -0.001747518384  0.001497357940  -0.003030401033
  13  Al  0.005097400964  6.054194872204  6.022022968467  -0.026848811952  0.021491872332  0.111415277455  0.000324344573  -0.001394847615  -0.003467428730
  14  Al  2.013852351700  4.025716498883  6.097442203159  -0.104245882770  -0.142886361861  -0.133873604608  -0.000970535112  -0.001948393077  0.001322424474
  15  Al  2.079503067145  6.082904791912  3.990156514727  -0.244422931157  -0.090998255628  0.002702718267  0.003330413141  0.000387353581  -0.004177348988
  16  Al  4.116967688517  0.071889087010  8.098930215827  -0.025240256640  -0.044756449268  0.177883182580  0.004571349921  0.004914606385  0.000248273821
  17  Al  3.972445968166  1.963404394975  2.015154838480  0.253179795677  0.110032883067  -0.014475630934  -0.004893124731  -0.004058901713  -0.000714911353
  18  Al  6.126090144291  8.039146086006  1.954163928743  -0.238910662793  0.005740352775  0.124650510651  0.003090803274  -0.004227165366  -0.004693299454
  19  Al  6.095878872946  2.092769195400  8.013037950496  -0.182700414060  -0.243724375175  0.071119776304  0.001095529173  0.004272381916  -0.005938271327
  20  Al  4.069815445355  0.073802628851  4.056638919243  -0.109561786744  -0.241522060615  -0.045549317350  0.001181971284  0.004669432673  0.000371835558
  21  Al  4.065941901634  2.004264249263  6.091203985273  0.033742206313  0.100839518630  0.129654322474  0.001165400791  -0.001263890520  0.001362304658
  22  Al  6.075983298400  0.007946247047  6.083994569957  0.019511189248  0.220956843993  0.079636032565  0.000112822934  0.000964399458  0.000766801524
  23  Al  6.128862201529  2.035919182938  4.032484113646  -0.156391916686  -0.011033772635  0.234512798525  0.003433249910  0.000731687403  -0.000764161654
  24  Al  4.064528034092  4.041774405840  0.075683058007  0.092988582931  -0.077720280845  -0.250522707600  0.001174942384  -0.000707897394  0.004808401489
  25  Al  4.024978192610  6.143224437141  2.089529805903  0.082928052928  -0.116506512974  -0.154310310401  -0.001608231997  0.004489288372  0.004202625877
  26  Al  6.038604292496  4.102626268636  1.977796458376  0.027825310851  0.024506816425  0.119494762185  -0.002498140617  0.003710137703  -0.003076587132
  27  Al  6.047461092021  6.105165083853  0.062187134026  0.025743926215  -0.117901668913  -0.160203247769  -0.001844380942  0.001875104494  0.004057584167
  28  Al  4.064444262298  4.079101075324  4.100411387016  -0.039695319227  -0.001504893624  -0.204592620843  0.000928027721  0.001996087533  0.003089950731
  29  Al  3.992170480956  6.094356297802  6.164930902580  0.288968571282  -0.048597631820  -0.181676443974  -0.003457002310  0.001246773672  0.005859457383
  30  Al  6.091597988603  3.987110413010  6.088307729497  -0.015199458125  0.106064697669  -0.015210079924  0.001124281502  -0.004200128444  0.000944130715
  31  Al  6.132255459530  6.049641560599  4.042737774314  -0.121818625435  0.085864187285  -0.153341279395  0.003735021795  -0.001610074054  -0.000784583936


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)
  -80.226682389208  -0.164448514911  0.056564439626
  -0.164448514911  -80.504999358459  -0.866016200425
  0.056564439626  -0.866016200425  -76.938960314307
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.036075506665  8.080977307307  8.068135520644  0.189266206868  0.021218639655  -0.121747010295  -0.003926265993  -0.001234818424  -0.002361197533
  1  Al  8.070974888043  1.981407393039  1.965332411344  0.164159589369  0.111700567791  0.006565212921  -0.001626298313  -0.002714320838  -0.003970222693
  2  Al  1.988302432202  8.038703929018  1.993380293545  0.069376052303  0.063778549836  0.132529112361  -0.002310195887  -0.004032955934  -0.001861789778
  3  Al  1.985225203245  2.005911046960  8.086526390578  0.019299040129  -0.025504721746  -0.194404824160  -0.002601743068  -0.001321260558  -0.001292440479
  4  Al  0.012032338388  8.052982314446  4.142771455724  0.133184137658  0.033478894938  -0.280675069945  0.001053978241  -0.003089479331  0.005699661715
  5  Al  0.008334534838  2.023587817963  6.110272325237  -0.013698707307  -0.051585187032  -0.104735907919  0.000522886384  -0.000182277190  0.002172192444
  6  Al  2.007072006829  8.092594856293  6.061661410638  -0.057934642242  0.207915468033  0.067416236092  -0.001329966031  -0.000086986307  -0.000783596396
  7  Al  2.020128980845  2.037132982217  4.087563240830  -0.029812651916  -0.087110593970  0.038415392585  -0.000382166021  0.000641538681  0.002597747241
  8  Al  8.074088252396  4.106004397648  8.019346829676  -0.006244024601  -0.156486993391  0.158335375047  -0.001737131656  0.003448442912  -0.005104031685
  9  Al  0.018956612481  6.067187778498  2.020088108917  -0.017671583291  -0.008388097418  0.097579429521  0.001259129595  -0.000532195226  -0.000132513981
  10  Al  2.060811468469  3.986165520637  2.017121821449  -0.100879971354  0.377406431746  0.179865844962  0.002226685270  -0.003528673901  -0.000206037818
  11  Al  2.038118255107  6.095237788635  0.069577366333  -0.117636022632  0.001080497622  0.094450649712  0.000642351416  0.001374890497  0.004868939638
  12  Al  8.068362591595  4.072183876406  3.999647791275  0.219958806436  -0.011849007035  0.189575164852  -0.001708652965  0.001495591482  -0.002997009877
  13  Al  0.005258375892  6.053498397148  6.020294204674  -0.031463521820  0.020012908811  0.117572799843  0.000319142777  -0.001391185988  -0.003447078644
  14  Al  2.013362416092  4.024735898715  6.098097442602  -0.102521786886  -0.144133949256  -0.137633082934  -0.000989054375  -0.001974121305  0.001298197931
  15  Al  2.081157376578  6.083094404426  3.988067925322  -0.249019831621  -0.095710039006  0.008520786519  0.003286415764  0.000370675284  -0.004176492155
  16  Al  4.119252274339  0.074344431632  8.099062306175  -0.023899982114  -0.049640927774  0.182082342628  0.004567117121  0.004906339600  0.000280463769
  17  Al  3.970010681004  1.961379827840  2.014796729635  0.262774478720  0.115642759650  -0.014805848272  -0.004847169631  -0.004038868512  -0.000717554225
  18  Al  6.127624893138  8.037032723766  1.951822810715  -0.247621680755  0.010302888790  0.129488993010  0.003047415289  -0.004225879392  -0.004670743817
  19  Al  6.096418480258  2.094894528500  8.010071943080  -0.188544434504  -0.251842022774  0.080389937028  0.001062377989  0.004228227732  -0.005924934562
  20  Al  4.070401543732  0.076126589168  4.056822804164  -0.111454097844  -0.249365497320  -0.045828198050  0.001162253736  0.004625710712  0.000363679373
  21  Al  4.066526120260  2.003636800685  6.091890944753  0.036097213162  0.106726419808  0.132848269579  0.001171685384  -0.001245378283  0.001385820417
  22  Al  6.076040582975  0.008438331715  6.084381536978  0.016084397140  0.224352614905  0.082788109820  0.000116009169  0.001004244354  0.000781349289
  23  Al  6.130571865180  2.036284539691  4.032112508922  -0.163487812108  -0.009151513575  0.238352341980  0.003404772830  0.000729908491  -0.000721913900
  24  Al  4.065119671887  4.041416977021  0.078076101595  0.097064956265  -0.079097211392  -0.261445273978  0.001191974560  -0.000721941853  0.004762799795
  25  Al  4.024177769713  6.145463911917  2.091624257164  0.090717824622  -0.120791245299  -0.162280955421  -0.001592764325  0.004468231244  0.004174469782
  26  Al  6.037356444606  4.104482464660  1.976263479874  0.029725838713  0.021054131270  0.124564410855  -0.002493083138  0.003714341059  -0.003054875964
  27  Al  6.046540036523  6.106097381973  0.064208799779  0.023053124068  -0.123716582643  -0.170754016512  -0.001840083150  0.001853569394  0.004028138650
  28  Al  4.064906509728  4.080099068891  4.101947243588  -0.038784226714  -0.001104640877  -0.208077449679  0.000921044139  0.001995924269  0.003053166068
  29  Al  3.990454867030  6.094977523003  6.167852560506  0.298323422748  -0.051820727125  -0.184294320394  -0.003404619170  0.001237839923  0.005826944845
  30  Al  6.092159459558  3.985015053925  6.088779123043  -0.019262327593  0.115043334330  -0.018977435956  0.001121240032  -0.004180508547  0.000941107445
  31  Al  6.134117557118  6.048840347902  4.042338621336  -0.129147782899  0.087584850445  -0.155681015799  0.003712716214  -0.001594624044  -0.000812238330


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)
  -80.018824446162  -0.172265223232  0.063146949999
  -0.172265223232  -80.314371111645  -0.914408794107
  0.063146949999  -0.914408794107  -76.542769164199
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.034120796720  8.080360834899  8.066949457531  0.197743462618  0.021957456999  -0.123398855224  -0.003891818922  -0.001231006240  -0.002383205243
  1  Al  8.070169061403  1.980055199960  1.963347555965  0.170477778153  0.114118893744  0.008884848203  -0.001596444340  -0.002694237423  -0.003968995145
  2  Al  1.987150413526  8.036690263841  1.992455305076  0.067206457941  0.071863177759  0.137460136360  -0.002298074704  -0.004020985553  -0.001837724532
  3  Al  1.983925169800  2.005249264151  8.085871468307  0.015417781628  -0.027707247102  -0.195709863154  -0.002598740072  -0.001326068915  -0.001327367178
  4  Al  0.012565290746  8.051439042097  4.145608794335  0.138080511100  0.036671872672  -0.291775412375  0.001078270390  -0.003083327385  0.005648704696
  5  Al  0.008595370641  2.023494371807  6.111353760316  -0.011107916961  -0.055085218027  -0.110523390606  0.000520688889  -0.000191820693  0.002153032130
  6  Al  2.006404421596  8.092560656065  6.061272618521  -0.059889283200  0.210839726236  0.069416133767  -0.001340551102  -0.000049552519  -0.000771393774
  7  Al  2.019936561611  2.037449863804  4.088863856138  -0.033946078296  -0.090686497922  0.036356914294  -0.000387880914  0.000625668270  0.002604532533
  8  Al  8.073219391056  4.107721656759  8.016801843165  -0.003863531238  -0.161077164092  0.164858337570  -0.001738102534  0.003420185845  -0.005075335425
  9  Al  0.019585399256  6.066921300914  2.020026212440  -0.018263475720  -0.007167614608  0.100003599121  0.001255965709  -0.000533606526  -0.000114854981
  10  Al  2.061920322835  3.984418020293  2.017026840532  -0.109029417363  0.384550468563  0.187030671132  0.002208005354  -0.003460690761  -0.000173244860
  11  Al  2.038434178594  6.095925295166  0.072016104045  -0.122488619460  0.000782744767  0.091797311288  0.000620908888  0.001375110300  0.004885778898
  12  Al  8.067518081055  4.072931156625  3.998157731973  0.228828279892  -0.015769367415  0.193544931427  -0.001668597076  0.001493180271  -0.002962874564
  13  Al  0.005416543886  6.052803685585  6.018575888259  -0.031895547554  0.022017004341  0.121437355546  0.000313490765  -0.001387482328  -0.003425844334
  14  Al  2.012863296876  4.023742376683  6.098740401679  -0.106536234942  -0.145275856231  -0.143689583622  -0.001007782673  -0.002000071272  0.001273097647
  15  Al  2.082789484400  6.083275467364  3.985980020677  -0.259156577819  -0.097574360470  0.014596430617  0.003241111488  0.000353409805  -0.004174587140
  16  Al  4.121534807711  0.076795428837  8.099210679724  -0.026197910815  -0.055355738089  0.186233813132  0.004562815128  0.004897142731  0.000313402479
  17  Al  3.967598796336  1.959365524630  2.014437283929  0.267478577968  0.117995720565  -0.012650110651  -0.004799952103  -0.004018137347  -0.000720036596
  18  Al  6.129137560963  8.034920204696  1.949493182807  -0.250169753810  0.015666869354  0.136925601400  0.003003030188  -0.004223721269  -0.004647106894
  19  Al  6.096941251418  2.096997425050  8.007113013245  -0.188932319129  -0.263404326873  0.090304435175  0.001028672299  0.004182327858  -0.005909903684
  20  Al  4.070977699618  0.078428341661  4.057002598781  -0.117167732289  -0.256997059293  -0.046128552251  0.001141859699  0.004580620446  0.000355472422
  21  Al  4.067113587550  2.003018870415  6.092589806319  0.034355496992  0.109165264518  0.133569647061  0.001178029291  -0.001226125553  0.001409692110
  22  Al  6.076099307622  0.008950491857  6.084775919600  0.017950954616  0.227158309816  0.083481082030  0.000119056457  0.001044648784  0.000796244179
  23  Al  6.132266975904  2.036649091760  4.031762199418  -0.164373526153  -0.010872675451  0.241209821684  0.003375593494  0.000728146565  -0.000679068486
  24  Al  4.065720009193  4.041052463660  0.080445859963  0.096791128004  -0.080027053748  -0.271723625018  0.001209351644  -0.000736195679  0.004715318321
  25  Al  4.023385427562  6.147692670413  2.093704277579  0.094037221446  -0.122183353982  -0.168504868500  -0.001576308692  0.004446682042  0.004145058792
  26  Al  6.036111208226  4.106340611380  1.974741581025  0.037062905574  0.017380067658  0.132262945606  -0.002487208671  0.003717920914  -0.003032033595
  27  Al  6.045621008036  6.107018654089  0.066215274504  0.025356301029  -0.125894117556  -0.181252546220  -0.001835826534  0.001831325694  0.003996824838
  28  Al  4.065365306855  4.081097000498  4.103464554469  -0.042228396306  -0.000648371479  -0.212111825169  0.000913837183  0.001995844818  0.003015718905
  29  Al  3.988765860241  6.095594138287  6.170757850069  0.303063206676  -0.051341141215  -0.188547861069  -0.003350986379  0.001228665065  0.005793837946
  30  Al  6.092719229144  3.982929902565  6.089248837369  -0.018070287382  0.124077083821  -0.025310416781  0.001117945865  -0.004159292774  0.000937184498
  31  Al  6.135968177429  6.048046935832  4.041925535615  -0.130533455196  0.092822502740  -0.158047104774  0.003689644172  -0.001578557171  -0.000840317399


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)
  -79.800953741850  -0.178551790454  0.071900178019
  -0.178551790454  -80.117911141953  -0.962781124616
  0.071900178019  -0.962781124616  -76.141833971966
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.032183685861  8.079746300471  8.065752314249  0.202063278365  0.022934167870  -0.125111169938  -0.003856241429  -0.001227045292  -0.002405523826
  1  Al  8.069378442931  1.978713154313  1.961363414280  0.172536427311  0.119637171544  0.008328474824  -0.001565846428  -0.002673454069  -0.003967625260
  2  Al  1.986004356388  8.034682941521  1.991542568124  0.070225871026  0.080495380354  0.140136739102  -0.002285885941  -0.004007535732  -0.001812985284
  3  Al  1.982626461917  2.004584977404  8.085199022758  0.017007293276  -0.027088203072  -0.196911860042  -0.002595951889  -0.001331024162  -0.001362524564
  4  Al  0.013110609300  8.049898985570  4.148420163151  0.139483505072  0.039951007126  -0.302597905954  0.001103130869  -0.003076608499  0.005595807523
  5  Al  0.008855223979  2.023395997177  6.112425358408  -0.012812902118  -0.055460393471  -0.113504775129  0.000518572510  -0.000201711775  0.002133095417
  6  Al  2.005731455079  8.092545303750  6.060890016491  -0.055867741331  0.213259356734  0.073883402723  -0.001350957006  -0.000011639650  -0.000758615467
  7  Al  2.019741099744  2.037758650790  4.090167774622  -0.032142678465  -0.091425479320  0.034317150937  -0.000393805846  0.000609413878  0.002610961787
  8  Al  8.072350149021  4.109424585147  8.014271491797  -0.006175123683  -0.165945019975  0.171193579379  -0.001739074013  0.003391095298  -0.005045508088
  9  Al  0.020212578797  6.066654171714  2.019973253881  -0.022950776435  -0.008944886919  0.099726858323  0.001252334586  -0.000535069726  -0.000097003723
  10  Al  2.063019474890  3.982704828202  2.016948576505  -0.111701593456  0.390913932852  0.191793121132  0.002188365751  -0.003391510654  -0.000139384925
  11  Al  2.038739164295  6.096612899600  0.074463147594  -0.121847487552  -0.002362419981  0.087618133578  0.000599091379  0.001375027630  0.004902026905
  12  Al  8.066693993711  4.073677057398  3.996684915278  0.233334383893  -0.019918807598  0.197666380267  -0.001627350218  0.001490053286  -0.002928025956
  13  Al  0.005571866809  6.052110914149  6.016868358683  -0.036421710040  0.020624790864  0.128171535560  0.000307396467  -0.001383729180  -0.003403674872
  14  Al  2.012354632931  4.022735826475  6.099370540865  -0.104411675635  -0.145869603969  -0.147348138810  -0.001026684589  -0.002026185201  0.001247132728
  15  Al  2.084398489633  6.083447814402  3.983893336164  -0.263299424202  -0.102166555664  0.021673826483  0.003194541292  0.000335567771  -0.004171522296
  16  Al  4.123815091673  0.079241576731  8.099375708806  -0.025005653892  -0.060822000204  0.189708755056  0.004558431760  0.004886964828  0.000347025552
  17  Al  3.965210726580  1.957361688550  2.014076692691  0.276472212709  0.123473900581  -0.012790416430  -0.004751526625  -0.003996720766  -0.000722341671
  18  Al  6.130627924779  8.032809000455  1.947175701573  -0.258222560934  0.021462127663  0.141745359027  0.002957707165  -0.004220581745  -0.004622391251
  19  Al  6.097447153055  2.099076858380  8.004162036539  -0.194350111011  -0.271796400716  0.100749049080  0.000994450182  0.004134658346  -0.005893074922
  20  Al  4.071543403983  0.080707211828  4.057178276757  -0.119240578362  -0.264405156388  -0.045803907772  0.001120773128  0.004534201499  0.000347268684
  21  Al  4.067704150121  2.002410674540  6.093300637545  0.036399642793  0.114814902983  0.136342221426  0.001184405050  -0.001206153661  0.001433882590
  22  Al  6.076159639489  0.009482981004  6.085177781542  0.013952167671  0.229641993663  0.086698975706  0.000121913705  0.001085531775  0.000811492391
  23  Al  6.133947460306  2.037012686608  4.031433440108  -0.171202735266  -0.009169156317  0.244137050522  0.003345736303  0.000726385806  -0.000635706796
  24  Al  4.066329024116  4.040680780987  0.082791422196  0.100600393175  -0.081161487035  -0.282936369325  0.001227050185  -0.000750637481  0.004665931823
  25  Al  4.022601460259  6.149910596109  2.095769317960  0.101989063163  -0.126240270807  -0.176866446275  -0.001558850823  0.004424662013  0.004114358676
  26  Al  6.034869234732  4.108200387371  1.973231444813  0.039395246791  0.012925215821  0.137370839846  -0.002480479128  0.003720788559  -0.003008057113
  27  Al  6.044704209102  6.107928708552  0.068205626550  0.022439350102  -0.131480817219  -0.192948082672  -0.001831631717  0.001808394040  0.003963541034
  28  Al  4.065820347353  4.082094914674  4.104962963951  -0.041540047413  -0.000409269692  -0.215029909632  0.000906387094  0.001995835250  0.002977660324
  29  Al  3.987103879031  6.096206188662  6.173646401253  0.311927920697  -0.054097220436  -0.190619266099  -0.003296148108  0.001219291065  0.005760186651
  30  Al  6.093277405964  3.980855759139  6.089716307995  -0.022520269090  0.133947256260  -0.029364762126  0.001114364623  -0.004136402192  0.000932336377
  31  Al  6.137807203075  6.047261789968  4.041498303531  -0.138113687159  0.094681944470  -0.159428442768  0.003665783900  -0.001561861261  -0.000868735885


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)
  -79.577783883974  -0.185539567721  0.080555562360
  -0.185539567721  -79.915479588604  -1.011366848794
  0.080555562360  -1.011366848794  -75.731935713960
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.030264553307  8.079133788976  8.064543932468  0.209422715163  0.023656351469  -0.127245097769  -0.003819634065  -0.001222937330  -0.002428197158
  1  Al  8.068603214169  1.977381744517  1.959379928665  0.177533269099  0.122676450408  0.011135452589  -0.001534622819  -0.002651915724  -0.003966070424
  2  Al  1.984864526410  8.032682726049  1.990642318860  0.069682851082  0.089604854682  0.145564874364  -0.002273484642  -0.003992515660  -0.001787527812
  3  Al  1.981329216576  2.003918239304  8.084508943042  0.015125637692  -0.028796841131  -0.198140837697  -0.002593200377  -0.001336082516  -0.001397906457
  4  Al  0.013668422182  8.048362432016  4.151204604736  0.143494888118  0.043608903781  -0.313115096462  0.001128481048  -0.003069281786  0.005541023204
  5  Al  0.009113943418  2.023292659928  6.113486856830  -0.011270004548  -0.058308521577  -0.119868747889  0.000516443679  -0.000211892296  0.002112331098
  6  Al  2.005053463895  8.092549016409  6.060514002665  -0.055086826211  0.215065818228  0.075480349962  -0.001360939583  0.000026652683  -0.000745297559
  7  Al  2.019542755562  2.038059277995  4.091474819268  -0.034232034149  -0.094479112374  0.032445577412  -0.000399758228  0.000592822201  0.002617052387
  8  Al  8.071480316148  4.111112753801  8.011756332483  -0.004968153960  -0.170443247442  0.176986595174  -0.001740151444  0.003361180057  -0.005014615886
  9  Al  0.020837734486  6.066386230913  2.019929208667  -0.024569656173  -0.008280120454  0.102133256819  0.001248144669  -0.000536634651  -0.000078961673
  10  Al  2.064108689711  3.981026507895  2.016887455536  -0.118191989773  0.396947887155  0.199244603940  0.002167915125  -0.003321233058  -0.000104432107
  11  Al  2.039033270281  6.097300323503  0.076918133471  -0.124309571047  -0.003478279604  0.082465376718  0.000577112564  0.001374569670  0.004917461510
  12  Al  8.065890729999  4.074421210678  3.995229704511  0.241051619581  -0.024471390146  0.202217384318  -0.001585015427  0.001486154317  -0.002892412505
  13  Al  0.005723940512  6.051419955693  6.015172211637  -0.037806172819  0.021947691398  0.132188389476  0.000300774744  -0.001379987753  -0.003380557259
  14  Al  2.011836611760  4.021716190440  6.099987535048  -0.105677996813  -0.145898407138  -0.153792329921  -0.001045514843  -0.002052364286  0.001220268578
  15  Al  2.085984027335  6.083611035307  3.981808496236  -0.271073665279  -0.104356930431  0.030005267429  0.003146916750  0.000317119948  -0.004167096900
  16  Al  4.126093241815  0.081682396178  8.099557705454  -0.026648048225  -0.067121236481  0.192375278277  0.004554026700  0.004875754717  0.000381200609
  17  Al  3.962847267268  1.955368801809  2.013714941887  0.281999127650  0.126392174297  -0.010019475608  -0.004701820368  -0.003974569011  -0.000724414637
  18  Al  6.132095269649  8.030699620781  1.944870789179  -0.262248673386  0.028021345992  0.149664831828  0.002911314410  -0.004216354931  -0.004596554608
  19  Al  6.097935702111  2.101132085523  8.001219935292  -0.196067649216  -0.282800332051  0.111139942050  0.000959592717  0.004085269680  -0.005874406922
  20  Al  4.072098473322  0.082962545492  4.057349867643  -0.124235139623  -0.271907099055  -0.044659029872  0.001099058388  0.004486466147  0.000339197385
  21  Al  4.068297993209  2.001812716133  6.094023689647  0.035261587913  0.117897753459  0.136056955564  0.001190866971  -0.001185405141  0.001458302417
  22  Al  6.076221221389  0.010036024191  6.085587412408  0.013463725974  0.231382413332  0.086878966972  0.000124370417  0.001126798698  0.000827048397
  23  Al  6.135612713927  2.037375477940  4.031126492296  -0.173867050482  -0.010176346049  0.247015851152  0.003315042804  0.000724690209  -0.000591826715
  24  Al  4.066947060010  4.040301825793  0.085111794186  0.101014067478  -0.081627014703  -0.294613865893  0.001245132100  -0.000765226054  0.004614515889
  25  Al  4.021826575938  6.152117334701  2.097818638371  0.106664600446  -0.127921907220  -0.182872705269  -0.001540269680  0.004402146163  0.004082389606
  26  Al  6.033630727822  4.110061401852  1.971733522366  0.045446248406  0.008066184279  0.145425191664  -0.002473010004  0.003722838961  -0.002982915207
  27  Al  6.043789375378  6.108827049059  0.070178817576  0.022622354206  -0.134451684545  -0.205611931369  -0.001827688664  0.001784703740  0.003928094281
  28  Al  4.066271694415  4.083092836775  4.106442216324  -0.044125607668  -0.000038451232  -0.217282388005  0.000898770786  0.001995888418  0.002939150033
  29  Al  3.985469710438  6.096813429979  6.176518039682  0.317037702597  -0.054274682735  -0.194982478758  -0.003240071604  0.001209659398  0.005725982280
  30  Al  6.093833594341  3.978793498247  6.090181174226  -0.023621353927  0.144168443224  -0.036444654260  0.001110291532  -0.004111731403  0.000926496457
  31  Al  6.139633963214  6.046485073768  4.041056799283  -0.141820802108  0.099395332665  -0.159775506936  0.003640928533  -0.001544583408  -0.000897313735


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)
  -79.346064977221  -0.191275547241  0.090611230352
  -0.191275547241  -79.707011517146  -1.059061490611
  0.090611230352  -1.059061490611  -75.317126150922
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.028364049710  8.078523362474  8.063324115766  0.214392541452  0.024479519495  -0.128495413957  -0.003781939327  -0.001218696348  -0.002451184756
  1  Al  8.067843819275  1.976061237141  1.957397341692  0.180172308826  0.127422979997  0.011770532058  -0.001502721721  -0.002629691838  -0.003964225099
  2  Al  1.983730870505  8.030690423681  1.989755039336  0.071049321453  0.099366008892  0.149100573582  -0.002261019042  -0.003975825217  -0.001761275517
  3  Al  1.980033260125  2.003248894158  8.083801115538  0.015277256793  -0.028801856596  -0.198223641415  -0.002590614717  -0.001341300153  -0.001433413457
  4  Al  0.014239090964  8.046829702108  4.153961189379  0.145341321980  0.047369723330  -0.324150083061  0.001154361091  -0.003061304867  0.005484333592
  5  Al  0.009371667940  2.023184104765  6.114537690659  -0.012076119472  -0.059421293091  -0.124055909573  0.000514382867  -0.000222428350  0.002090631696
  6  Al  2.004370514753  8.092571956447  6.060144718525  -0.051817526542  0.216401028927  0.079076970471  -0.001370566494  0.000065227876  -0.000731517940
  7  Al  2.019341341298  2.038351473314  4.092784828438  -0.033781638755  -0.095856724960  0.029573029686  -0.000405859172  0.000575836139  0.002622730577
  8  Al  8.070609996628  4.112785767039  8.009256873175  -0.006213399698  -0.175151726799  0.183574367177  -0.001741239944  0.003330454930  -0.004982637199
  9  Al  0.021460724148  6.066117536770  2.019894292165  -0.028624320427  -0.009304504628  0.102358890299  0.001243452772  -0.000538234145  -0.000060683777
  10  Al  2.065187391198  3.979383593332  2.016844144341  -0.122483811602  0.402157998880  0.204698835451  0.002146509013  -0.003249961284  -0.000068324245
  11  Al  2.039316277175  6.097987470020  0.079380611788  -0.124525330591  -0.006208009531  0.077037727516  0.000554895790  0.001373773885  0.004931972429
  12  Al  8.065108977419  4.075163212527  3.993792501194  0.246226921655  -0.029173832052  0.205943742776  -0.001541532870  0.001481434231  -0.002856069928
  13  Al  0.005872641716  6.050730925643  6.013487799578  -0.041539869557  0.021430340157  0.138334384391  0.000293696437  -0.001376180149  -0.003356544697
  14  Al  2.011309117518  4.020683461069  6.100590810109  -0.104376795755  -0.145490987589  -0.158304467494  -0.001064347464  -0.002078519761  0.001192428928
  15  Al  2.087545408101  6.083764934523  3.979726236990  -0.276415420211  -0.108233421864  0.038298876719  0.003098131024  0.000298130220  -0.004161203170
  16  Al  4.128369120859  0.084117334109  8.099756909624  -0.026132318290  -0.073460556517  0.195219969627  0.004549540578  0.004863435433  0.000415871714
  17  Al  3.960508903647  1.953387117370  2.013352277658  0.289734869561  0.131100037332  -0.008921773526  -0.004650946500  -0.003951751732  -0.000726145004
  18  Al  6.133539240777  8.028592643223  1.942579144456  -0.268237681430  0.034991291391  0.155536030228  0.002864036725  -0.004210936785  -0.004569503858
  19  Al  6.098406746296  2.103162130290  7.998287626411  -0.199616901611  -0.292225861000  0.122936862742  0.000924266877  0.004034070004  -0.005853780024
  20  Al  4.072642462971  0.085193680424  4.057517474327  -0.127108102996  -0.279008564239  -0.043845289116  0.001076644015  0.004437442476  0.000331302275
  21  Al  4.068895017742  2.001225268751  6.094758940757  0.036201535063  0.122719478571  0.137343081240  0.001197316695  -0.001163954099  0.001482819281
  22  Al  6.076284009974  0.010609780317  6.086004830390  0.010538716041  0.232764418730  0.089118399209  0.000126522624  0.001168351708  0.000842825074
  23  Al  6.137262504919  2.037737377213  4.030841613069  -0.178936506802  -0.009282484872  0.248908404889  0.003283670862  0.000722987561  -0.000547520505
  24  Al  4.067574156896  4.039915554515  0.087405940604  0.103548915294  -0.082055330598  -0.306064649364  0.001263483937  -0.000779898592  0.004561049877
  25  Al  4.021061189738  6.154312744675  2.099851709794  0.114043731898  -0.131183226419  -0.190796035594  -0.001520616645  0.004379206518  0.004049191463
  26  Al  6.032396223379  4.111923228364  1.970248527978  0.049665017525  0.002724388302  0.151682595523  -0.002464633175  0.003723993743  -0.002956505599
  27  Al  6.042876519440  6.109713413267  0.072133722975  0.020684696231  -0.139110659580  -0.218343808315  -0.001823910265  0.001760337952  0.003890392522
  28  Al  4.066719118629  4.084090804182  4.107902115588  -0.044354331554  0.000108382993  -0.219725723274  0.000890906428  0.001995996580  0.002900230876
  29  Al  3.983863805659  6.097415848720  6.179372386658  0.324442435552  -0.056187625650  -0.197316427324  -0.003182887682  0.001199845654  0.005691202492
  30  Al  6.094387698101  3.976744025492  6.090642804958  -0.027064832030  0.155090225619  -0.041951425916  0.001105816796  -0.004085187139  0.000919535028
  31  Al  6.141448133595  6.045717205717  4.040600989306  -0.148014682002  0.102030843366  -0.160318625655  0.003615202678  -0.001526654449  -0.000925976484


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)
  -79.108376688670  -0.197472448918  0.100822538147
  -0.197472448918  -79.492325365454  -1.106728805416
  0.100822538147  -1.106728805416  -74.895989722855
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.026482611793  8.077915091922  8.062092746295  0.222577510824  0.025328593230  -0.128406258397  -0.003743084003  -0.001214311275  -0.002474288726
  1  Al  8.067100491579  1.974752051158  1.955415701274  0.185641231231  0.130138832235  0.013524359234  -0.001470101002  -0.002606811775  -0.003962184434
  2  Al  1.982603506060  8.028706898533  1.988881042324  0.068369848045  0.109941263071  0.153249381344  -0.002248680617  -0.003957334157  -0.001734342955
  3  Al  1.978738600360  2.002576938376  8.083075528756  0.011326902495  -0.031015015353  -0.196671356456  -0.002588380514  -0.001346722579  -0.001468797608
  4  Al  0.014822783941  8.045301125378  4.156688941500  0.149597113539  0.051633371472  -0.336635840104  0.001180793405  -0.003052624276  0.005425563518
  5  Al  0.009628326583  2.023070231449  6.115577489734  -0.009728067222  -0.062446471303  -0.129185385451  0.000512462176  -0.000233335936  0.002068107878
  6  Al  2.003682896609  8.092614244322  6.059782484301  -0.052104637420  0.217355402917  0.082110088127  -0.001379933644  0.000104010124  -0.000717148257
  7  Al  2.019136896156  2.038635114467  4.094097551361  -0.037473606578  -0.098957759021  0.025155855341  -0.000412252121  0.000558451434  0.002627769484
  8  Al  8.069739075197  4.114443210657  8.006773692402  -0.004371307873  -0.179710845511  0.191384207712  -0.001742283196  0.003298915023  -0.004949392674
  9  Al  0.022081187977  6.065847996457  2.019868524855  -0.030085209924  -0.008300541098  0.103116274823  0.001238273274  -0.000539838039  -0.000042317302
  10  Al  2.066255199965  3.977776544731  2.016819131252  -0.130961231203  0.406622549710  0.210970502845  0.002123970091  -0.003177835801  -0.000031166453
  11  Al  2.039588166392  6.098674098183  0.081850108752  -0.128480412225  -0.007090261372  0.072039979344  0.000532307515  0.001372661493  0.004945574881
  12  Al  8.064349196238  4.075902645765  3.992373632932  0.254426802455  -0.034372204099  0.208293221560  -0.001496859354  0.001475835592  -0.002819195427
  13  Al  0.006017637119  6.050043774749  6.011815664999  -0.042410035899  0.022918359888  0.143885754792  0.000286207517  -0.001372291926  -0.003331500609
  14  Al  2.010772263680  4.019637669477  6.101179964665  -0.106820198247  -0.144700681517  -0.163723912217  -0.001083288128  -0.002104579166  0.001163705403
  15  Al  2.089082160150  6.083909165700  3.977647290660  -0.285410393986  -0.110315425005  0.046150139983  0.003048075289  0.000278608156  -0.004153884987
  16  Al  4.130642785024  0.086545834423  8.099973577409  -0.028555093862  -0.080365390708  0.198945574186  0.004544904761  0.004849953930  0.000451133989
  17  Al  3.958196318079  1.951417047791  2.012988796464  0.294042876652  0.133761731613  -0.006780144101  -0.004599014690  -0.003928292658  -0.000727589219
  18  Al  6.134959308030  8.026488681561  1.940301282678  -0.269756624982  0.042675483599  0.162677352623  0.002816098535  -0.004204227717  -0.004541309451
  19  Al  6.098859969522  2.105166157860  7.995366151883  -0.198754686094  -0.303611573771  0.136517311188  0.000888703198  0.003981025686  -0.005830910311
  20  Al  4.073175117960  0.087399990534  4.057681170110  -0.132611113190  -0.286354331142  -0.043941262039  0.001053484596  0.004387145099  0.000323472446
  21  Al  4.069495310596  2.000648761361  6.095506509786  0.034013819939  0.125500604392  0.137409529434  0.001203660747  -0.001141827585  0.001507465235
  22  Al  6.076347744086  0.011204376574  6.086430237970  0.011316963492  0.233332439300  0.090254856038  0.000128483607  0.001210086675  0.000858908302
  23  Al  6.138896386688  2.038098465919  4.030578971474  -0.179648593512  -0.010425873623  0.248925562231  0.003251795549  0.000721265857  -0.000503043730
  24  Al  4.068210544677  4.039521926750  0.089672846700  0.103028962756  -0.082072457429  -0.316422408382  0.001282022732  -0.000794615343  0.004505652378
  25  Al  4.020305958413  6.156496543751  2.101867832176  0.118570667012  -0.132358759701  -0.198008468255  -0.001499905168  0.004355889237  0.004014657108
  26  Al  6.031166093223  4.113785397749  1.968777015057  0.058071204093  -0.003118296860  0.158901317252  -0.002455138601  0.003724165894  -0.002928903462
  27  Al  6.041965464058  6.110587388029  0.074069212347  0.022556534898  -0.141820180689  -0.230436604601  -0.001820145983  0.001735320246  0.003850487369
  28  Al  4.067162601358  4.085088834509  4.109342448877  -0.047648176203  0.000375160107  -0.222969059265  0.000882730846  0.001996150955  0.002860814653
  29  Al  3.982286820916  6.098013276327  6.182209245465  0.328474228451  -0.056057191268  -0.200367304817  -0.003124692979  0.001189877575  0.005655965752
  30  Al  6.094939411776  3.974708308745  6.091100709786  -0.026758709143  0.166481514388  -0.048482658474  0.001101066450  -0.004056665520  0.000911501260
  31  Al  6.143249167983  6.044958418436  4.040130822264  -0.150436568318  0.107027953549  -0.161480605493  0.003588721902  -0.001508049222  -0.000954797484


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)
  -78.860028630802  -0.202090804210  0.113390817788
  -0.202090804210  -79.272359919282  -1.153517297810
  0.113390817788  -1.153517297810  -74.471565796051
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.024620963418  8.077309050457  8.060849825526  0.226781135385  0.026106567768  -0.129763602295  -0.003703137160  -0.001209786423  -0.002497519520
  1  Al  8.066373717374  1.973454423772  1.953435154834  0.187086251742  0.135470451830  0.014143628303  -0.001436867455  -0.002583223671  -0.003959950870
  2  Al  1.981482188512  8.026733087104  1.988020695320  0.070848776421  0.120943972160  0.156687732506  -0.002236370403  -0.003936932262  -0.001706739002
  3  Al  1.977444878028  2.001902170755  8.082332317032  0.012905511216  -0.030575221099  -0.196231610019  -0.002586370878  -0.001352310451  -0.001504012910
  4  Al  0.015419885091  8.043777075965  4.159386756215  0.150627648045  0.056052736569  -0.347450383424  0.001207705639  -0.003043181832  0.005364733467
  5  Al  0.009884130430  2.022950768686  6.116605799802  -0.011301993828  -0.062784056160  -0.133342760075  0.000510613088  -0.000244545936  0.002044762601
  6  Al  2.002990580264  8.092675966635  6.059427569829  -0.046469844700  0.217441548644  0.085970588308  -0.001388829994  0.000142888160  -0.000702164943
  7  Al  2.018929088925  2.038909925090  4.095412599529  -0.035494621742  -0.099741943989  0.021942600124  -0.000418800602  0.000540721103  0.002632139360
  8  Al  8.068867712366  4.116084684080  8.004307477474  -0.006643283126  -0.184420679035  0.197539460513  -0.001743373463  0.003266560754  -0.004914921914
  9  Al  0.022698998179  6.065577698401  2.019851974837  -0.035070222293  -0.009865710934  0.102745378799  0.001232523254  -0.000541494840  -0.000023915412
  10  Al  2.067311362588  3.976205755587  2.016812977869  -0.133906081101  0.410451084594  0.216230885740  0.002100419072  -0.003104980246  0.000007024337
  11  Al  2.039848585015  6.099360132353  0.084326189693  -0.126745827571  -0.010535242402  0.064213703943  0.000509522012  0.001371168887  0.004958055819
  12  Al  8.063612117150  4.076639049021  3.990973304043  0.258663107365  -0.039724529895  0.212196881409  -0.001451078740  0.001469300592  -0.002781773526
  13  Al  0.006158849408  6.049358632878  6.010156296931  -0.046831621841  0.021570061894  0.150778505381  0.000278246467  -0.001368397697  -0.003305358829
  14  Al  2.010225828727  4.018578880616  6.101754516224  -0.103384080668  -0.143076746282  -0.168060741421  -0.001102146441  -0.002130434542  0.001134113669
  15  Al  2.090593485254  6.084043542849  3.975572349461  -0.288682941260  -0.114676757846  0.056475625937  0.002996934810  0.000258510271  -0.004144961657
  16  Al  4.132914028400  0.088967291006  0.000211796145  -0.027715224582  -0.087339485802  0.200520529702  0.004540149389  0.004835254559  0.000486874403
  17  Al  3.955909886144  1.949458822309  2.012624687995  0.302360392540  0.139126300857  -0.005502503509  -0.004545973606  -0.003904133868  -0.000728731386
  18  Al  6.136355341035  8.024388412934  1.938037832227  -0.276611396715  0.051049856269  0.168578032464  0.002767422703  -0.004196103153  -0.004511969634
  19  Al  6.099295450037  2.107143158411  7.992456712533  -0.203063342515  -0.312248761237  0.149356829923  0.000852833678  0.003926207665  -0.005805705788
  20  Al  4.073695948211  0.089580828206  4.057840946971  -0.134807814362  -0.293332597412  -0.041863646701  0.001029640612  0.004335585655  0.000315820906
  21  Al  4.070098679225  2.000083440468  6.096266406915  0.035350077595  0.130851518104  0.138154387311  0.001209934934  -0.001118978348  0.001532192528
  22  Al  6.076412493660  0.011819867733  6.086863739218  0.006271735909  0.233401474429  0.092354279760  0.000130063856  0.001251886943  0.000875285961
  23  Al  6.140514302457  2.038458643511  4.030338569032  -0.185985530275  -0.008858017234  0.250211726313  0.003219304090  0.000719585529  -0.000458450308
  24  Al  4.068856180412  4.039120938686  0.091911595738  0.106074869291  -0.081985590894  -0.328854772156  0.001300794701  -0.000809330602  0.004448236211
  25  Al  4.019561283652  6.158668636576  2.103866369357  0.127068659360  -0.135955908407  -0.206169288957  -0.001478035368  0.004332165217  0.003978765980
  26  Al  6.029941083276  4.115647396536  1.967319622724  0.061444026362  -0.009874905145  0.164936564734  -0.002444602416  0.003723229869  -0.002900129113
  27  Al  6.041056372344  6.111448734575  0.075984212699  0.018974066742  -0.147381033603  -0.245195889075  -0.001816543319  0.001709570184  0.003808198096
  28  Al  4.067601850015  4.086086956357  4.110762931991  -0.047264392866  0.000459494931  -0.224032547646  0.000874298940  0.001996346492  0.002821025090
  29  Al  3.980739110769  6.098605727023  6.185028355869  0.336174442774  -0.058481856093  -0.202366981944  -0.003065461309  0.001179709628  0.005620303096
  30  Al  6.095488765225  3.972687357491  6.091554306775  -0.032014007497  0.178795278729  -0.054102840743  0.001095878747  -0.004026042803  0.000902385121
  31  Al  6.145036857692  6.044209155572  4.039646191238  -0.158638473806  0.109138696694  -0.160099773206  0.003561307350  -0.001488814832  -0.000983605264


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)
  -78.607282832333  -0.207407070682  0.126017915655
  -0.207407070682  -79.045914782056  -1.200305498530
  0.126017915655  -1.200305498530  -74.040969584241
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.022779472240  8.076705304718  8.059595225162  0.233554579204  0.026714116182  -0.129802000480  -0.003662225544  -0.001205143666  -0.002520889464
  1  Al  8.065663623196  1.972168825818  1.951455747846  0.191345497903  0.138879796904  0.016059965057  -0.001403129254  -0.002558865956  -0.003957510929
  2  Al  1.980367134213  8.024769963728  1.987174302220  0.068987540839  0.132556658979  0.160691997746  -0.002224015737  -0.003914527543  -0.001678476733
  3  Al  1.976152227811  2.001224627051  8.081571514875  0.009948584191  -0.031798812067  -0.194185718196  -0.002584497699  -0.001357975733  -0.001539015983
  4  Al  0.016030490360  8.042257941581  4.162053678432  0.153504469148  0.060815219722  -0.359233685374  0.001234975138  -0.003032933630  0.005301906980
  5  Al  0.010138940001  2.022825685356  6.117622253656  -0.009904995202  -0.065009012323  -0.138798657302  0.000508750703  -0.000255987004  0.002020566962
  6  Al  2.002294065717  8.092757132575  6.059080318905  -0.044852350197  0.217017353637  0.088984407727  -0.001397085709  0.000181739170  -0.000686569728
  7  Al  2.018718095283  2.039175835920  4.096729692422  -0.038027723196  -0.101961073223  0.017412434088  -0.000425401199  0.000522723941  0.002635830828
  8  Al  8.067995700608  4.117709773521  8.001858767313  -0.005396686552  -0.188854080546  0.204846423064  -0.001744564473  0.003233403885  -0.004879270808
  9  Al  0.023313712027  6.065306501267  2.019844609427  -0.037647425615  -0.009605780552  0.102928509160  0.001226103157  -0.000543271234  -0.000005529271
  10  Al  2.068355620394  3.974671562480  2.016826155593  -0.141444571464  0.413829773957  0.222210615882  0.002075940179  -0.003031491782  0.000046222468
  11  Al  2.040097688733  6.100045267955  0.086808167773  -0.128952019289  -0.012565801713  0.056991355328  0.000486695538  0.001369193742  0.004969217772
  12  Al  8.062898116561  4.077371947306  3.989591857609  0.265626147151  -0.045523711653  0.214855180018  -0.001404301480  0.001461775797  -0.002743776973
  13  Al  0.006295883765  6.048675376168  6.008510304034  -0.048621032232  0.022402744615  0.156719391123  0.000269731074  -0.001364556387  -0.003278085112
  14  Al  2.009670116527  4.017507233559  6.102314079067  -0.103974530484  -0.141015858010  -0.173329246065  -0.001120757228  -0.002155973124  0.001103667183
  15  Al  2.092079096896  6.084167676138  3.973502326325  -0.296136690271  -0.117562964639  0.066402526942  0.002944847622  0.000237764506  -0.004134248562
  16  Al  4.135182937346  0.091381092105  0.000464204382  -0.029077596632  -0.095280410570  0.202764095716  0.004535370453  0.004819245795  0.000522960975
  17  Al  3.953650341536  1.947512911402  2.012260064607  0.307287177685  0.142433808756  -0.002959569707  -0.004491768578  -0.003879218412  -0.000729535822
  18  Al  6.137726732521  8.022292575697  1.935789310130  -0.278700052551  0.059840753854  0.175696060373  0.002717958526  -0.004186465133  -0.004481487365
  19  Al  6.099712803751  2.109092368061  7.989560442345  -0.202749391801  -0.323330657798  0.163589198989  0.000816609161  0.003869643527  -0.005778109370
  20  Al  4.074204759237  0.091735578990  4.057996991220  -0.139231611676  -0.300320551240  -0.040638814796  0.001005208552  0.004282796734  0.000308465760
  21  Al  4.070705246311  1.999529782290  6.097038703304  0.033813193696  0.134376672181  0.137536262695  0.001216197829  -0.001095339906  0.001556940627
  22  Al  6.076477808026  0.012456264326  6.087305524496  0.005488778897  0.232578696932  0.093439123085  0.000131123823  0.001293628931  0.000891953856
  23  Al  6.142115692858  2.038818051912  4.030120520870  -0.187489032153  -0.009291605198  0.249926817352  0.003186126251  0.000718010217  -0.000413766921
  24  Al  4.069511340218  4.038712595625  0.094121085785  0.105853869569  -0.081120186173  -0.340350385946  0.001319827128  -0.000823965836  0.004388700174
  25  Al  4.018827922091  6.160828711767  2.105846600726  0.133004767231  -0.137824962702  -0.213764377418  -0.001454881378  0.004307973382  0.003941484519
  26  Al  6.028721489227  4.117508630022  1.965876884071  0.069247022622  -0.016541771374  0.172561424961  -0.002433079048  0.003721112924  -0.002870146679
  27  Al  6.040148919566  6.112296959317  0.077877412904  0.019281953795  -0.150415043053  -0.259215648648  -0.001813242564  0.001683058924  0.003763352908
  28  Al  4.068036900863  4.087085182291  4.112163475789  -0.049627772432  0.000720689176  -0.225881278311  0.000865694036  0.001996583244  0.002780987224
  29  Al  3.979221357627  6.099192986717  6.187829552192  0.340626111200  -0.058969778811  -0.204733377807  -0.003005155322  0.001169286739  0.005584276877
  30  Al  6.096035291231  3.970682263342  6.092003095490  -0.033319824798  0.191511201022  -0.061258907297  0.001090109797  -0.003993201234  0.000892130841
  31  Al  6.146810477633  6.043469602642  4.039147216365  -0.162416386587  0.113314575730  -0.159464121958  0.003532838436  -0.001469024878  -0.001012239667


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)
  -78.345146823377  -0.211391014517  0.140260304047
  -0.211391014517  -78.814153075881  -1.245237690425
  0.140260304047  -1.245237690425  -73.607874082926
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.020958735379  8.076103905970  8.058328934345  0.238697683538  0.027620653417  -0.129193379057  -0.003620265700  -0.001200371790  -0.002544223758
  1  Al  8.064970587164  1.970895556073  1.949477641209  0.193603591999  0.143622996654  0.016823300087  -0.001368813718  -0.002533791649  -0.003954852803
  2  Al  1.979258171260  8.022818556894  1.986342217443  0.068552807461  0.144949728483  0.163875745831  -0.002211877602  -0.003889996433  -0.001649579042
  3  Al  1.974860378568  2.000544194097  8.080793300000  0.008627928180  -0.032056521988  -0.191173895801  -0.002583020893  -0.001363781230  -0.001573577662
  4  Al  0.016654861070  8.040744140268  4.164688666808  0.154899958512  0.066004618744  -0.371658472499  0.001262635186  -0.003021811520  0.005236940800
  5  Al  0.010392881479  2.022694781508  6.118626368140  -0.010530048859  -0.065866894878  -0.142945050831  0.000506959975  -0.000267705863  0.001995522200
  6  Al  2.001593493604  8.092857705928  6.058740999633  -0.041048107237  0.216238645241  0.093094357573  -0.001404864880  0.000220486287  -0.000670340301
  7  Al  2.018503687436  2.039432649387  4.098048432153  -0.038589517415  -0.103186867501  0.011961400732  -0.000432281257  0.000504420408  0.002638644558
  8  Al  8.067123146704  4.119318090167  7.999428203342  -0.006527133665  -0.193617861790  0.212748971220  -0.001745754682  0.003199440102  -0.004842284064
  9  Al  0.023925102171  6.065034426797  2.019846445563  -0.042097719406  -0.010559315683  0.101866236652  0.001219061021  -0.000545112718  0.000012779503
  10  Al  2.069387304181  3.973174261740  2.016859200368  -0.147356644239  0.416151342925  0.227128454273  0.002050268400  -0.002957505176  0.000086397805
  11  Al  2.040335280884  6.100729327028  0.089295410850  -0.129370555138  -0.015601843143  0.049174136455  0.000463635494  0.001366772951  0.004979062976
  12  Al  8.062207814713  4.078100825814  3.988229525201  0.270489409706  -0.051739007497  0.216820656267  -0.001356471363  0.001453184323  -0.002705379384
  13  Al  0.006428580666  6.047994075562  6.006878209586  -0.052208645559  0.021689856741  0.164135547610  0.000260735848  -0.001360711535  -0.003249633226
  14  Al  2.009105070735  4.016422906024  6.102858184159  -0.102569387972  -0.138560959427  -0.177559220706  -0.001139302559  -0.002181121473  0.001072375435
  15  Al  2.093538334882  6.084281307517  3.971438098083  -0.301471468385  -0.121360468608  0.076512187152  0.002891629577  0.000216421073  -0.004121765928
  16  Al  4.137449401943  0.093786540084  0.000734757476  -0.029111045771  -0.103045428728  0.205042296039  0.004530491098  0.004801858030  0.000559457123
  17  Al  3.951418114506  1.945579601255  2.011895151676  0.314007360278  0.147127150740  -0.001260232992  -0.004436543031  -0.003853607079  -0.000729965016
  18  Al  6.139073301412  8.020201944949  1.933556341810  -0.282220652163  0.069398783133  0.181801391175  0.002668004281  -0.004175208812  -0.004449845211
  19  Al  6.100112059754  2.111012804574  7.986678599228  -0.203606702275  -0.332838252291  0.179144012676  0.000780338032  0.003811255836  -0.005747879478
  20  Al  4.074701157448  0.093863627858  4.058149412941  -0.142195756571  -0.306984774471  -0.039411412233  0.000980119792  0.004228806982  0.000301331026
  21  Al  4.071314877883  1.998988099816  6.097823348602  0.033853465214  0.138943488057  0.137529833488  0.001222333976  -0.001070982367  0.001581643064
  22  Al  6.076543617572  0.013113497545  6.087755693681  0.002630105495  0.231577893244  0.095478428058  0.000131859006  0.001335217791  0.000908907057
  23  Al  6.143700430879  2.039176654217  4.029924801829  -0.190845465056  -0.008246961228  0.248745730228  0.003152529001  0.000716493337  -0.000369213791
  24  Al  4.070176008439  4.038296972288  0.096300298901  0.107540776408  -0.080328092264  -0.351638146191  0.001338999102  -0.000838458375  0.004327147068
  25  Al  4.018106401284  6.162976612893  2.107807856561  0.140986644204  -0.140631780380  -0.222386557593  -0.001430489422  0.004283385315  0.003902772105
  26  Al  6.027508002570  4.119368511995  1.964449474090  0.075846803119  -0.024263647417  0.178900543414  -0.002420280496  0.003717729709  -0.002838929407
  27  Al  6.039243128545  6.113131794645  0.079747568171  0.018047721121  -0.155177512154  -0.273606687092  -0.001810034275  0.001655857989  0.003715985146
  28  Al  4.068467544641  4.088083540962  4.113543921109  -0.050165469337  0.000572204465  -0.227744686604  0.000856833894  0.001996840962  0.002740629886
  29  Al  3.977733953400  6.099775014559  6.190612636551  0.346744857413  -0.060651612449  -0.206194959175  -0.002943916548  0.001158675522  0.005547936371
  30  Al  6.096578875764  3.968694153537  6.092446438224  -0.036285671604  0.204749425052  -0.067384149224  0.001083964491  -0.003958058795  0.000880693335
  31  Al  6.148569698534  6.042740129693  4.038633950882  -0.168329121997  0.116071015001  -0.158626378935  0.003503520442  -0.001448621802  -0.001040749819


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)
  -78.076595484500  -0.215168976393  0.155011640101
  -0.215168976393  -78.576528878500  -1.289196648170
  0.155011640101  -1.289196648170  -73.169359633682
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.019159203943  8.075504932066  8.057050999579  0.246867708443  0.027821913137  -0.129560114183  -0.003577133276  -0.001195507404  -0.002567552745
  1  Al  8.064294808497  1.969635032352  1.947500892206  0.198759551957  0.146108158213  0.020102180505  -0.001333840650  -0.002508083779  -0.003951855773
  2  Al  1.978155255024  8.020879964505  1.985524721995  0.066404554675  0.157504285393  0.169115438343  -0.002199982178  -0.003863255423  -0.001619935590
  3  Al  1.973569205065  1.999860844843  8.079997936084  0.005893774713  -0.034253921176  -0.188790845643  -0.002581921301  -0.001369814472  -0.001607668609
  4  Al  0.017293126452  8.039236127892  4.167290622988  0.158991122979  0.071147052076  -0.383142595269  0.001290795046  -0.003009782219  0.005169862313
  5  Al  0.010645900340  2.022557979300  6.119617777288  -0.007733306860  -0.068791077311  -0.149658184793  0.000505366176  -0.000279765253  0.001969516153
  6  Al  2.000889199829  8.092977619020  6.058409978123  -0.038685083371  0.214504239995  0.095085671205  -0.001412101313  0.000259012860  -0.000653568046
  7  Al  2.018285813717  2.039680256689  4.099368338873  -0.041042399027  -0.106295429580  0.007297865758  -0.000439433823  0.000485730908  0.002640569357
  8  Al  8.066249944674  4.120909215918  7.997016479776  -0.004190872492  -0.197646310216  0.219485969128  -0.001746847187  0.003164706099  -0.004804013529
  9  Al  0.024532773923  6.064761388158  2.019857388940  -0.043370594808  -0.009413859248  0.102716476916  0.001211513687  -0.000546940306  0.000031070750
  10  Al  2.070405890265  3.971714055182  2.016912553460  -0.154960367681  0.418465954993  0.234042776632  0.002023398125  -0.002883115559  0.000127634443
  11  Al  2.040561324559  6.101412041887  0.091787234321  -0.131220293781  -0.016907535884  0.039893090779  0.000440373609  0.001363971655  0.004987408827
  12  Al  8.061541644225  4.078825132671  3.986886476285  0.278723817481  -0.057763440518  0.219845103758  -0.001307474512  0.001443506279  -0.002666548349
  13  Al  0.006556619800  6.047314663657  6.005260668477  -0.052488730128  0.023289345434  0.169511948048  0.000251395667  -0.001356794936  -0.003220054175
  14  Al  2.008530813151  4.015326110521  6.103386455271  -0.102623029245  -0.135265663362  -0.183997355573  -0.001157734968  -0.002205770109  0.001040133758
  15  Al  2.094970728547  6.084384097366  3.969380557441  -0.308639182995  -0.123361847557  0.088431270232  0.002837306412  0.000194558864  -0.004107336573
  16  Al  4.139713431694  0.096182953579  0.001023661907  -0.032137854603  -0.111746215170  0.205858339838  0.004525363765  0.004783024421  0.000596235818
  17  Al  3.949213795323  1.943659301559  2.011530099067  0.317288232998  0.149704156196  0.002522235783  -0.004380444709  -0.003827365956  -0.000729908339
  18  Al  6.140394738716  8.018117363890  1.931339461727  -0.283481542425  0.079420230101  0.190198179061  0.002617634154  -0.004162225138  -0.004416929699
  19  Al  6.100493142342  2.112903626631  7.983812558744  -0.202887024228  -0.344360883560  0.194035686051  0.000744056385  0.003751005513  -0.005714958305
  20  Al  4.075184879732  0.095964389005  4.058298322462  -0.148137405152  -0.314014874683  -0.036890650985  0.000954238591  0.004173613167  0.000294532588
  21  Al  4.071927581164  1.998458799155  6.098620347502  0.030622213418  0.141554445206  0.135321395316  0.001228192304  -0.001045987451  0.001606158384
  22  Al  6.076609667127  0.013791483074  6.088214432205  0.001350388168  0.229377281083  0.095297725407  0.000132225016  0.001376531173  0.000926032890
  23  Al  6.145268224120  2.039534545764  4.029751306813  -0.191970656487  -0.009505004978  0.248034126141  0.003118546669  0.000714961375  -0.000324828689
  24  Al  4.070850340280  4.037874136649  0.098448235957  0.105895052810  -0.078866244577  -0.363920252017  0.001358183856  -0.000852755287  0.004263507002
  25  Al  4.017397431643  6.165112100155  2.109749375630  0.145583786428  -0.141520087705  -0.229049980311  -0.001404979261  0.004258489634  0.003862712625
  26  Al  6.026301206995  4.121226362398  1.963037952627  0.084071543358  -0.032026985043  0.187273930178  -0.002406169520  0.003712983141  -0.002806410763
  27  Al  6.038338883993  6.113952818494  0.081593400715  0.018164170546  -0.157709599138  -0.289530026451  -0.001806936060  0.001628012380  0.003665924992
  28  Al  4.068893735371  4.089082024685  4.114904107642  -0.054122686886  0.000949861845  -0.228278369366  0.000847576151  0.001997130637  0.002700070967
  29  Al  3.976277438967  6.100351663069  6.193377492542  0.349301907878  -0.060230384755  -0.209424420469  -0.002881914478  0.001147957461  0.005511205593
  30  Al  6.097119256499  3.966724201707  6.092883789456  -0.037971729645  0.218648385667  -0.075708387826  0.001077409052  -0.003920510309  0.000867968207
  31  Al  6.150314000588  6.042020979801  4.038106465800  -0.172255066037  0.121184055121  -0.156118226193  0.003473340761  -0.001427521967  -0.001068968918


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)
  -77.798123983512  -0.218195286209  0.172017433263
  -0.218195286209  -78.333528157566  -1.332557122066
  0.172017433263  -1.332557122066  -72.730310306448
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.017381599405  8.074908397664  8.055761379664  0.250424778957  0.028449641448  -0.128629898879  -0.003532970533  -0.001190575723  -0.002590848701
  1  Al  8.063636745507  1.968387470402  1.945525782455  0.199515754323  0.151399927573  0.020884998417  -0.001298344263  -0.002481693693  -0.003948519203
  2  Al  1.977058187423  8.018955298557  1.984722280632  0.067775090773  0.170885883438  0.172240610535  -0.002188168597  -0.003834216798  -0.001589551690
  3  Al  1.972278455320  1.999174378592  8.079185630179  0.006714931243  -0.033759935306  -0.184839200942  -0.002581008216  -0.001376008745  -0.001641205634
  4  Al  0.017945657090  8.037734355778  4.169858533020  0.159078451756  0.076777058054  -0.395306428684  0.001319338510  -0.002996807015  0.005100695433
  5  Al  0.010898248036  2.022415016044  6.120595885779  -0.009675366714  -0.068866130046  -0.154034607438  0.000503851708  -0.000292095435  0.001942528462
  6  Al  2.000181391226  8.093116718984  6.058087431094  -0.031917002919  0.212195430483  0.099104388278  -0.001418530490  0.000297182601  -0.000636261075
  7  Al  2.018064253282  2.039918380661  4.100689003501  -0.039324518276  -0.106882320264  0.001255753321  -0.000446655322  0.000466712457  0.002641553114
  8  Al  8.065376298200  4.122482798653  7.994624186189  -0.006446802779  -0.202217240472  0.227187230996  -0.001747943130  0.003129219590  -0.004764478075
  9  Al  0.025136616772  6.064487486078  2.019877516337  -0.049164665988  -0.011007060241  0.101081498039  0.001203341248  -0.000548811368  0.000049293490
  10  Al  2.071410703833  3.970291144006  2.016986834907  -0.158831521423  0.419603331413  0.238734825772  0.001995512013  -0.002808428759  0.000169912794
  11  Al  2.040775654826  6.102093299712  0.094282823440  -0.129043587414  -0.020810381423  0.030135546164  0.000417141752  0.001360712701  0.004994083310
  12  Al  8.060900339214  4.079544333182  3.985562974841  0.282053764459  -0.064346897296  0.221720309089  -0.001257447738  0.001432708982  -0.002627292243
  13  Al  0.006679976523  6.046637279602  6.003658152982  -0.057125320452  0.021880779458  0.177380934975  0.000241616689  -0.001352869136  -0.003189307996
  14  Al  2.007947334894  4.014217134251  6.103898318702  -0.098477197232  -0.131454763768  -0.187994375174  -0.001175809978  -0.002229798701  0.001006962840
  15  Al  2.096375643435  6.084475866528  3.967330758412  -0.311417566831  -0.127642228722  0.100166646499  0.002782106800  0.000172134471  -0.004090816049
  16  Al  4.141974769121  0.098569568113  0.001330993744  -0.031087797417  -0.120220678316  0.207018858880  0.004520086580  0.004762682627  0.000633197760
  17  Al  3.947037666492  1.941752232412  2.011165242786  0.324973253524  0.154949460435  0.004511913598  -0.004323387930  -0.003800446474  -0.000729340011
  18  Al  6.141690937542  8.016039716672  1.929139408779  -0.288567404861  0.090111941855  0.196203019445  0.002566708364  -0.004147413703  -0.004382750638
  19  Al  6.100856116700  2.114763812917  7.980963636611  -0.205392237018  -0.353393158436  0.210671034836  0.000707616691  0.003688935317  -0.005679250347
  20  Al  4.075655396758  0.098037244174  4.058443945751  -0.149996906541  -0.320348695636  -0.034683988235  0.000927663626  0.004117245329  0.000288158028
  21  Al  4.072543071113  1.997942111575  6.099429508199  0.031641560336  0.146618007052  0.134682757373  0.001233860755  -0.001020310718  0.001630430813
  22  Al  6.076675842688  0.014490029756  6.088681727270  -0.004175056455  0.227113236769  0.097246677939  0.000131983450  0.001417457005  0.000943323764
  23  Al  6.146818979901  2.039891616131  4.029599972894  -0.197288269766  -0.007796596783  0.246189211929  0.003084004416  0.000713473866  -0.000280670557
  24  Al  4.071534193319  4.037444216358  0.100563809120  0.108292788445  -0.077491832021  -0.375807075351  0.001377445566  -0.000866804914  0.004197726779
  25  Al  4.016701420962  6.167235105739  2.111670572101  0.155190822241  -0.144838542665  -0.237768982907  -0.001378205636  0.004233241541  0.003821297997
  26  Al  6.025101831235  4.123081497937  1.961643061210  0.089050249667  -0.040582915063  0.193792242606  -0.002390891496  0.003706799588  -0.002772575075
  27  Al  6.037436191122  6.114759808254  0.083413495928  0.014610763369  -0.163026667124  -0.305397380258  -0.001804155767  0.001599472622  0.003613040754
  28  Al  4.069315121431  4.090080673105  4.116243994113  -0.053489055205  0.000749197416  -0.229286371700  0.000838025639  0.001997448202  0.002659387253
  29  Al  3.974852036748  6.100922972885  6.196123846301  0.356074247692  -0.062309237310  -0.210363174813  -0.002819090750  0.001137097268  0.005474132457
  30  Al  6.097656285629  3.964773640271  6.093314407086  -0.043402065891  0.233181767083  -0.082196461792  0.001070223357  -0.003880440521  0.000853923029
  31  Al  6.152043041915  6.041312606649  4.037564981158  -0.180574113603  0.123079618415  -0.153900512518  0.003442084870  -0.001405802462  -0.001096774213


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)
  -77.515481876867  -0.221116210468  0.189353974604
  -0.221116210468  -78.084862510492  -1.373676642371
  0.189353974604  -1.373676642371  -72.286888232148
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.015626230611  8.074314355400  8.054460148825  0.258553323247  0.029151056148  -0.126687840665  -0.003487781624  -0.001185532326  -0.002613906280
  1  Al  8.062996463205  1.967153336692  1.943552369874  0.204560591814  0.153959976270  0.023670696436  -0.001262334407  -0.002454615071  -0.003944888311
  2  Al  1.975967084693  8.017045744669  1.983935169045  0.062933090648  0.185249347333  0.176789676440  -0.002176678216  -0.003802719449  -0.001558489136
  3  Al  1.970988194804  1.998484835007  8.078356729149  0.001357687490  -0.035856032438  -0.179611696654  -0.002580516938  -0.001382355500  -0.001673935296
  4  Al  0.018612466008  8.036239318503  4.172391322463  0.162769666721  0.083005291132  -0.408547445957  0.001348230603  -0.002982789504  0.005029283616
  5  Al  0.011149752446  2.022265883634  6.121560307289  -0.006789052294  -0.071613785528  -0.160143078890  0.000502424719  -0.000304680888  0.001914613361
  6  Al  1.999470668216  8.093274801856  6.057773716544  -0.031082746961  0.209844966638  0.101821460739  -0.001424289529  0.000334940957  -0.000618354440
  7  Al  2.017839158040  2.040146969516  4.102009894079  -0.043965686866  -0.109863740801  -0.006025469739  -0.000454141624  0.000447376304  0.002641362532
  8  Al  8.064502000159  4.124038437987  7.992251997926  -0.003802627487  -0.206796271121  0.235812038048  -0.001749015525  0.003092931801  -0.004723509781
  9  Al  0.025736116124  6.064212576356  2.019906682468  -0.050891808375  -0.009841813628  0.100784840051  0.001194503303  -0.000550724326  0.000067345416
  10  Al  2.072401403859  3.968905624198  2.017082466389  -0.168948194480  0.419910369872  0.244771102835  0.001966385577  -0.002733624173  0.000213155011
  11  Al  2.040978466642  6.102772755666  0.096781321588  -0.132628397623  -0.022458996737  0.020798956872  0.000393784645  0.001356965763  0.004999082913
  12  Al  8.060284195490  4.080257842788  3.984259181960  0.289841506373  -0.071502008993  0.222528433317  -0.001206430658  0.001420691552  -0.002587809493
  13  Al  0.006798236681  6.045961793449  6.002071357954  -0.057371323697  0.023371747825  0.183735428329  0.000231401879  -0.001348944197  -0.003157307738
  14  Al  2.007355002242  4.013096310054  6.104393418908  -0.100098963029  -0.127510829768  -0.193518778838  -0.001193668331  -0.002253150174  0.000972944193
  15  Al  2.097752837551  6.084556231974  3.965289738150  -0.320232045604  -0.129723746412  0.111670777684  0.002725883608  0.000149140461  -0.004072242317
  16  Al  4.144233521855  0.100945639979  0.001656860169  -0.034002176956  -0.129397311753  0.208711892210  0.004514670887  0.004740791172  0.000670422013
  17  Al  3.944890403968  1.939858852074  2.010800758478  0.327544362442  0.157608701678  0.008252253778  -0.004265436679  -0.003772842045  -0.000728263970
  18  Al  6.142961449114  8.013969946901  1.926956707616  -0.286748500843  0.101678638455  0.204100786128  0.002515502363  -0.004130637279  -0.004347353446
  19  Al  6.101200759594  2.116592564871  7.978133303897  -0.201474513466  -0.365068151835  0.228676025692  0.000671304621  0.003625031834  -0.005640478313
  20  Al  4.076112544093  0.100081637596  4.058586480719  -0.155777470737  -0.326629984519  -0.033128403852  0.000900409200  0.004059770873  0.000282121101
  21  Al  4.073161442897  1.997438487628  6.100250779607  0.028012124924  0.149204666293  0.132194852121  0.001239304157  -0.000993954279  0.001654436134
  22  Al  6.076741650682  0.015208941202  6.089157756716  -0.003729325675  0.224059043301  0.097493586232  0.000131288556  0.001457919871  0.000960818417
  23  Al  6.148352230980  2.040248020195  4.029470636034  -0.195903733647  -0.008780093175  0.242672372326  0.003049127087  0.000712055556  -0.000236989755
  24  Al  4.072227786938  4.037007331048  0.102645966061  0.106032981707  -0.075638063793  -0.386960106697  0.001396729989  -0.000880572629  0.004129907629
  25  Al  4.016019224915  6.169345345050  2.113570676655  0.160174153643  -0.145557099173  -0.245311121500  -0.001350134003  0.004207657158  0.003778450199
  26  Al  6.023910313604  4.124933164923  1.960265375355  0.100191086315  -0.049812558680  0.202041215012  -0.002374186155  0.003699048886  -0.002737433785
  27  Al  6.036534726796  6.115552292384  0.085206444332  0.016711118375  -0.165376940632  -0.320769357980  -0.001801516567  0.001570255048  0.003557381938
  28  Al  4.069731761675  4.091079474469  4.117563497001  -0.057304630091  0.000559885172  -0.230781024022  0.000828195135  0.001997743577  0.002618493128
  29  Al  3.973458345984  6.101488761238  6.198851629336  0.357933723079  -0.061958767474  -0.212476341150  -0.002755507747  0.001126088816  0.005436817939
  30  Al  6.098189480705  3.962843758112  6.093737713162  -0.043233377293  0.247807718420  -0.090496680180  0.001062573412  -0.003837784911  0.000838559926
  31  Al  6.153756088185  6.040615176225  4.037009690718  -0.182630841652  0.127974787920  -0.152069048128  0.003409920453  -0.001383482873  -0.001124226838


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)
  -77.221370036761  -0.222469506974  0.209724418561
  -0.222469506974  -77.831132467465  -1.413428424059
  0.209724418561  -1.413428424059  -71.845117623236
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.013893814881  8.073722864352  8.053147471211  0.261773468379  0.029577827913  -0.125917585195  -0.003441597081  -0.001180395473  -0.002636740867
  1  Al  8.062374410051  1.965932853291  1.941580890865  0.204736861354  0.159132454886  0.024295400915  -0.001225862814  -0.002426858928  -0.003940978385
  2  Al  1.974881507398  8.015152575947  1.983163790200  0.064098282843  0.199648725947  0.179230465109  -0.002165529948  -0.003768672938  -0.001526809137
  3  Al  1.969697936237  1.997792021943  8.077511693492  0.002308922297  -0.035341936758  -0.175303623160  -0.002580436668  -0.001388853462  -0.001705826592
  4  Al  0.019293888814  8.034751563795  4.174887820817  0.162038944711  0.089172769904  -0.420148831801  0.001377399007  -0.002967682284  0.004955677588
  5  Al  0.011400673173  2.022110334902  6.122510500732  -0.008820473735  -0.071609065397  -0.164203478158  0.000501077366  -0.000317514760  0.001885799258
  6  Al  1.998757100513  8.093451660219  6.057469076141  -0.023624718693  0.206539677554  0.106635685411  -0.001429317202  0.000372199391  -0.000599776927
  7  Al  2.017610111280  2.040365757337  4.103330368229  -0.042084529936  -0.110102213215  -0.012154177968  -0.000461878391  0.000427753461  0.002639990580
  8  Al  8.063627281221  4.125575733025  7.989900672482  -0.006097804558  -0.211282406595  0.243080413627  -0.001750068436  0.003055850736  -0.004681148157
  9  Al  0.026331121068  6.063936761294  2.019944861809  -0.057071055072  -0.011293572049  0.098199282329  0.001184965613  -0.000552666736  0.000085141782
  10  Al  2.073377091044  3.967557517561  2.017199990095  -0.172537568586  0.419875466990  0.248762831076  0.001936044132  -0.002658806484  0.000257299190
  11  Al  2.041169439798  6.103450266602  0.099281910508  -0.129800757342  -0.026629925116  0.009016289071  0.000370360297  0.001352707202  0.005002228046
  12  Al  8.059693907554  4.080965025915  3.982975163197  0.292828778882  -0.078611490555  0.224612391513  -0.001154453539  0.001407407139  -0.002548081712
  13  Al  0.006911378594  6.045288334284  6.000500842619  -0.062042422897  0.021990532938  0.192504551087  0.000220748052  -0.001345018043  -0.003123973380
  14  Al  2.006753665570  4.011963982203  6.104871263704  -0.095211290730  -0.122722316645  -0.197051495917  -0.001211244283  -0.002275738065  0.000938119118
  15  Al  2.099101529309  6.084625007113  3.963258512710  -0.322446090104  -0.134352148104  0.125119961184  0.002668687323  0.000125545420  -0.004051462995
  16  Al  4.146489443761  0.103310363226  0.002001416315  -0.032970926968  -0.138703418135  0.208600538302  0.004509116321  0.004717276754  0.000707795576
  17  Al  3.942772226267  1.937979387231  2.010436978211  0.334995138751  0.162999164375  0.010055820288  -0.004206612399  -0.003744540447  -0.000726697020
  18  Al  6.144206441995  8.011909075960  1.924792051719  -0.291220427165  0.113483993271  0.209774496218  0.002464071136  -0.004111797190  -0.004310768511
  19  Al  6.101527421879  2.118388847763  7.975323153610  -0.203517571340  -0.374124913299  0.245929468970  0.000635161248  0.003559293014  -0.005598587920
  20  Al  4.076555806706  0.102097018421  4.058726067087  -0.157135210433  -0.332643060759  -0.029797409821  0.000872520038  0.004001218897  0.000276522367
  21  Al  4.073782376301  1.996948156470  6.101083945708  0.028834318833  0.154323116104  0.131391658045  0.001244505318  -0.000966913135  0.001678160432
  22  Al  6.076807131353  0.015947950839  6.089642546486  -0.009746732539  0.220570802339  0.099721673800  0.000130096341  0.001497811251  0.000978542348
  23  Al  6.149868109522  2.040603672279  4.029362982942  -0.200935121477  -0.007131790477  0.240395059592  0.003013940737  0.000710701280  -0.000193824500
  24  Al  4.072930924470  4.036563642997  0.104693720182  0.108122385987  -0.073499620770  -0.399666354098  0.001416010242  -0.000893990552  0.004059976522
  25  Al  4.015351285837  6.171442766394  2.115449025440  0.170237888629  -0.148839746919  -0.254864313923  -0.001320723476  0.004181740630  0.003734095144
  26  Al  6.022727643107  4.126780549897  1.958905625149  0.105425488271  -0.059352728040  0.208106728977  -0.002356031029  0.003689643946  -0.002701027655
  27  Al  6.035634673057  6.116330064607  0.086970880823  0.012712143878  -0.170552101651  -0.338314381308  -0.001799058832  0.001540372395  0.003498798695
  28  Al  4.070143317255  4.092078418343  4.118862489418  -0.056759262841  0.000265789640  -0.230436672325  0.000818076853  0.001998009030  0.002577509767
  29  Al  3.972096526710  6.102049062637  6.201560668759  0.364452826557  -0.064135500891  -0.212504029975  -0.002691188082  0.001114923550  0.005399344676
  30  Al  6.098718859924  3.960935852170  6.094152967709  -0.049264465490  0.263338040629  -0.096852643836  0.001054405696  -0.003792454760  0.000821890653
  31  Al  6.155452965203  6.039929122626  4.036440753385  -0.191279019469  0.130009592885  -0.148217718031  0.003376818649  -0.001360550841  -0.001151181412


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)
  -76.923196156669  -0.224126328062  0.229920656298
  -0.224126328062  -77.572745685740  -1.451385572796
  0.229920656298  -1.451385572796  -71.399049046108
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.012184630532  8.073133958899  8.051823405661  0.268645854391  0.029711686607  -0.124345248408  -0.003394529584  -0.001175216202  -0.002659386638
  1  Al  8.061770599323  1.964726475650  1.939611388057  0.208410039890  0.162371218521  0.027235433212  -0.001189051969  -0.002398364915  -0.003936776793
  2  Al  1.973801552859  8.013277068448  1.982408358578  0.061532555031  0.214283617299  0.183915223430  -0.002154520855  -0.003732053489  -0.001494499562
  3  Al  1.968407755889  1.997095980336  8.076650901071  -0.000409836107  -0.036778990353  -0.169875371806  -0.002580532371  -0.001395444251  -0.001736862466
  4  Al  0.019989866214  8.033271633634  4.177347004367  0.164757627353  0.095361163835  -0.432446283984  0.001406757628  -0.002951489551  0.004879962076
  5  Al  0.011650830249  2.021948368598  6.123446108190  -0.007205044732  -0.073411598910  -0.170634648024  0.000499696175  -0.000330512849  0.001856057426
  6  Al  1.998041349768  8.093647001571  6.057173939094  -0.019615709495  0.202491252359  0.109060655074  -0.001433330124  0.000408806669  -0.000580554529
  7  Al  2.017377279247  2.040574723349  4.104649886959  -0.044091275664  -0.112374859880  -0.019250768190  -0.000469630370  0.000407907139  0.002637454470
  8  Al  8.062751930199  4.127094291385  7.987570845691  -0.004593133155  -0.215292632379  0.250854822844  -0.001751204304  0.003018027641  -0.004637470014
  9  Al  0.026921082770  6.063659909139  2.019991824325  -0.059637890383  -0.010911466786  0.097564299598  0.001174653287  -0.000554708815  0.000102652581
  10  Al  2.074337449678  3.966246815398  2.017339765803  -0.180232906941  0.419581468118  0.254713881486  0.001904704246  -0.002584029264  0.000302338473
  11  Al  2.041348827261  6.104125464046  0.101783553991  -0.130587623779  -0.029106751483  -0.002473873054  0.000347118649  0.001347863297  0.005003327621
  12  Al  8.059129740946  4.081665251153  3.981711098029  0.299362208360  -0.085675755844  0.226055386016  -0.001101628097  0.001392864011  -0.002508052389
  13  Al  0.007018984925  6.044616774235  5.998947381853  -0.063114228740  0.022652964115  0.199140853897  0.000209581264  -0.001341165120  -0.003089280142
  14  Al  2.006143756903  4.010820570007  6.105331538843  -0.093967190262  -0.117222268974  -0.202699730934  -0.001228282208  -0.002297424201  0.000902476294
  15  Al  2.100421527199  6.084681777503  3.961238271626  -0.328588282698  -0.136894604251  0.138569524377  0.002610756842  0.000101307803  -0.004028304948
  16  Al  4.148742642104  0.105662920842  0.002364656362  -0.035295211182  -0.148734744403  0.208753159327  0.004503476981  0.004692063984  0.000745181471
  17  Al  3.940683787905  1.936114308366  2.010074060825  0.338327771704  0.166279627992  0.014130312728  -0.004146847465  -0.003715486878  -0.000724609451
  18  Al  6.145425522396  8.009858146130  1.922645935351  -0.291406537594  0.125793491661  0.217692102487  0.002412235496  -0.004090827880  -0.004272994820
  19  Al  6.101835921395  2.120151860985  7.972534711101  -0.201483055320  -0.385018813940  0.264217015753  0.000599017938  0.003491788759  -0.005553554818
  20  Al  4.076985064891  0.104082859978  4.058863003326  -0.162189502574  -0.338919321420  -0.026869045001  0.000844060914  0.003941590229  0.000271484612
  21  Al  4.074405949299  1.996471573651  6.101928941500  0.025876205385  0.157435364924  0.128150900534  0.001249524697  -0.000939140174  0.001701537222
  22  Al  6.076871747136  0.016706753758  6.090136299916  -0.012065784798  0.216111922346  0.099763885112  0.000128159601  0.001537006519  0.000996477824
  23  Al  6.151366174343  2.040958722093  4.029276811365  -0.201750373824  -0.007330214677  0.237001925144  0.002978249150  0.000709481440  -0.000151163262
  24  Al  4.073643798413  4.036113339718  0.106705946119  0.106468105389  -0.070798324109  -0.411668322561  0.001435341168  -0.000906983338  0.003987857702
  25  Al  4.014698500289  6.173527089323  2.117304775051  0.176426860509  -0.150139477501  -0.262383456843  -0.001289866158  0.004155440944  0.003688235329
  26  Al  6.021554280523  4.128622812083  1.957564345347  0.114563248000  -0.069021600751  0.216413282840  -0.002336605567  0.003678546383  -0.002663351782
  27  Al  6.034735666397  6.117092666121  0.088705246074  0.012330498578  -0.173707873160  -0.355643914267  -0.001797005018  0.001509752673  0.003437116052
  28  Al  4.070549839240  4.093077485240  4.120141009013  -0.059718194566  0.000262684493  -0.230549286160  0.000807747475  0.001998261844  0.002536560985
  29  Al  3.970767155558  6.102603685759  6.204250978715  0.366737880280  -0.064314306785  -0.214401378041  -0.002626093622  0.001103554338  0.005361733157
  30  Al  6.099243887319  3.959051300048  6.094559604531  -0.051598436876  0.279342081974  -0.105516874584  0.001045496636  -0.003744327198  0.000803882578
  31  Al  6.157132909775  6.039254624198  4.035858508304  -0.195888636180  0.133975061363  -0.144474461999  0.003342551753  -0.001337089549  -0.001177467691


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)
  -76.615468370990  -0.224366731182  0.252873230132
  -0.224366731182  -77.309129503493  -1.487357829814
  0.252873230132  -1.487357829814  -70.954254138595
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.010499282203  8.072547647079  8.050488082149  0.273048832649  0.030156775127  -0.123044444555  -0.003346473728  -0.001169993177  -0.002681797319
  1  Al  8.061185356998  1.963534486190  1.937644110483  0.209452958929  0.166662442644  0.028710758850  -0.001151824222  -0.002369212120  -0.003932208674
  2  Al  1.972726984579  8.011420519055  1.981669289276  0.061011196817  0.229790406110  0.187273469972  -0.002143802279  -0.003692762524  -0.001461478348
  3  Al  1.967117401513  1.996396576419  8.075774829443  -0.000768914921  -0.037156685076  -0.164449982242  -0.002580922051  -0.001402208152  -0.001766943934
  4  Al  0.020700647724  8.031800071553  4.179767787342  0.165067990702  0.102039853324  -0.444293377556  0.001436400434  -0.002934166216  0.004802115411
  5  Al  0.011900369803  2.021779821752  6.124366559850  -0.008089638395  -0.074119299580  -0.175519271141  0.000498383815  -0.000343739156  0.001825314261
  6  Al  1.997323769083  8.093860467261  6.056888521083  -0.012917866684  0.198323424581  0.113014424918  -0.001436396673  0.000444686258  -0.000560764024
  7  Al  2.017140480482  2.040773664848  4.105967825103  -0.043372720471  -0.113599711759  -0.026202498682  -0.000477501765  0.000387748983  0.002633681319
  8  Al  8.061876075320  4.128593763418  7.985263198241  -0.005726747178  -0.219736251159  0.258368534110  -0.001752319874  0.002979466687  -0.004592454167
  9  Al  0.027505775426  6.063382051973  2.020047514484  -0.064794864914  -0.011507839912  0.095388642971  0.001163657876  -0.000556774309  0.000119914711
  10  Al  2.075281797027  3.964973485941  2.017502328844  -0.185401973422  0.418177888885  0.259154139822  0.001872224759  -0.002509414665  0.000348313786
  11  Al  2.041516558764  6.104798131128  0.104285242690  -0.128907614860  -0.032624404214  -0.015384369140  0.000323956904  0.001342492759  0.005002282229
  12  Al  8.058592278453  4.082357891196  3.980467108521  0.303123043240  -0.093176196729  0.227677029674  -0.001047884697  0.001377027330  -0.002467763075
  13  Al  0.007120960048  6.043947167941  5.997411559661  -0.066539196963  0.022104593829  0.207488929840  0.000198012781  -0.001337311357  -0.003053266039
  14  Al  2.005525382243  4.009666555908  6.105773740821  -0.089986874872  -0.111632073327  -0.206906985750  -0.001244863809  -0.002318137865  0.000865955122
  15  Al  2.101712288531  6.084726315008  3.959230204090  -0.331915027992  -0.140463299055  0.152963400926  0.002551992638  0.000076521979  -0.004002684448
  16  Al  4.150992924847  0.108002431487  0.002746598465  -0.035615874331  -0.158347319915  0.208032256864  0.004497633369  0.004665126450  0.000782525970
  17  Al  3.938625375022  1.934263896966  2.009712368100  0.344104339390  0.170841611846  0.017012608972  -0.004086291962  -0.003685756125  -0.000721904970
  18  Al  6.146618679691  8.007818244350  1.920519053004  -0.293647117341  0.138837060902  0.224327939619  0.002360194944  -0.004067619456  -0.004233947084
  19  Al  6.102126440363  2.121880639706  7.969769593729  -0.201495757614  -0.394678557004  0.282707254281  0.000563055897  0.003422465158  -0.005505269272
  20  Al  4.077399868390  0.106038612244  4.058997551946  -0.164862455252  -0.344524069139  -0.023092113592  0.000814914056  0.003880921700  0.000267047779
  21  Al  4.075031902137  1.996009015440  6.102785484481  0.025102077903  0.161542838182  0.125853879679  0.001254220033  -0.000910725619  0.001724433795
  22  Al  6.076935291070  0.017484958759  6.090639025219  -0.017018502625  0.211658239678  0.100983759720  0.000125573460  0.001575420336  0.001014535305
  23  Al  6.152846361388  2.041313154365  4.029211819543  -0.205151878633  -0.006382527872  0.233666040255  0.002942198455  0.000708333625  -0.000109100181
  24  Al  4.074366266946  4.035656658832  0.108681581520  0.107046870367  -0.068397685010  -0.424289734254  0.001454588453  -0.000919527979  0.003913558806
  25  Al  4.014061418503  6.175598211127  2.119137264132  0.185358676787  -0.152358659660  -0.271110688431  -0.001257663083  0.004128854114  0.003640944994
  26  Al  6.020391035410  4.130459099634  1.956242270939  0.121675031370  -0.079601123214  0.223251141947  -0.002315742273  0.003665664136  -0.002624337316
  27  Al  6.033837666401  6.117839818656  0.090408000008  0.009727487039  -0.178208027853  -0.373996685117  -0.001795230914  0.001478456210  0.003372261717
  28  Al  4.070951065466  4.094076682008  4.121399052716  -0.060302901862  -0.000311339740  -0.229777560952  0.000797106063  0.001998477641  0.002495685242
  29  Al  3.969470430694  6.103152617982  6.206922406804  0.371429061120  -0.065574331618  -0.215095878048  -0.002560387646  0.001092063315  0.005323924957
  30  Al  6.099764357514  3.957191521559  6.094956851020  -0.056427640584  0.295564989525  -0.112935832486  0.001035953823  -0.003693340549  0.000784440532
  31  Al  6.158795520003  6.038592031858  4.035263284621  -0.203203997398  0.136699277202  -0.139774790472  0.003307239405  -0.001313037408  -0.001203010513


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)
  -76.303291345227  -0.225186752741  0.276065727270
  -0.225186752741  -77.040737578175  -1.521513708393
  0.276065727270  -1.521513708393  -70.506659322934
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.008838153614  8.071963964606  8.049141605786  0.280939549222  0.030103200449  -0.120372602994  -0.003297338760  -0.001164743462  -0.002703875801
  1  Al  8.060618774004  1.962357261272  1.935679175635  0.213995699483  0.169046769607  0.033191709298  -0.001114101616  -0.002339477215  -0.003927137455
  2  Al  1.971657748536  8.009584302404  1.980946878837  0.056404665212  0.245384627779  0.192774234085  -0.002133557262  -0.003650714621  -0.001427672461
  3  Al  1.965826831378  1.995693770847  8.074883955452  -0.005245615741  -0.039303874049  -0.157454456136  -0.002581763768  -0.001409209237  -0.001795931798
  4  Al  0.021426268017  8.030337464620  4.182149124356  0.168133690477  0.108892062675  -0.457521972994  0.001466359392  -0.002915653522  0.004722054551
  5  Al  0.012149214539  2.021604629114  6.125271424190  -0.005364066188  -0.076432005729  -0.183215450371  0.000497239693  -0.000357239627  0.001793456707
  6  Al  1.996604951726  8.094091688253  6.056613174536  -0.010039852179  0.193393555077  0.114651602263  -0.001438618383  0.000479759947  -0.000540475675
  7  Al  2.016899777027  2.040962472702  4.107283570788  -0.047295026353  -0.116247912569  -0.034624537823  -0.000485664123  0.000367245211  0.002628553303
  8  Al  8.060999608655  4.130073760911  7.982978387146  -0.002829933034  -0.223543211122  0.266899199399  -0.001753291275  0.002940186381  -0.004546033713
  9  Al  0.028084741755  6.063103134299  2.020111739150  -0.066476375855  -0.010359869873  0.095240545295  0.001152058678  -0.000558794962  0.000136971967
  10  Al  2.076209676222  3.963737398341  2.017688079921  -0.194981098537  0.416802448392  0.265810436706  0.001838437267  -0.002435059122  0.000395289077
  11  Al  2.041672784474  6.105467958085  0.106785840988  -0.131082688876  -0.034624475429  -0.027150288878  0.000300750723  0.001336638521  0.004999068619
  12  Al  8.058081855250  4.083042279795  3.979243332602  0.310659208648  -0.100876277162  0.228103859296  -0.000993133144  0.001359840331  -0.002427304814
  13  Al  0.007216997895  6.043279461603  5.995894112904  -0.066423639028  0.023540595803  0.213440254580  0.000186148610  -0.001333387979  -0.003015992644
  14  Al  2.004898891908  4.008502429932  6.106197494791  -0.090165264935  -0.105439019596  -0.213628830774  -0.001261116868  -0.002337818065  0.000828459268
  15  Al  2.102973522270  6.084758299555  3.957235583362  -0.339443556331  -0.142540779593  0.166712902089  0.002492270653  0.000051229116  -0.003974575356
  16  Al  4.153240279760  0.110328051739  0.003147183078  -0.039016165462  -0.169044349564  0.208193529950  0.004491490665  0.004636405592  0.000819830652
  17  Al  3.936597492048  1.932428548728  2.009352155167  0.345757305251  0.173421642292  0.022353186121  -0.004025096432  -0.003655411516  -0.000718470514
  18  Al  6.147785719590  8.005790522796  1.918411984231  -0.291227253549  0.152194864071  0.233540402426  0.002308182458  -0.004042078951  -0.004193510222
  19  Al  6.102398977829  2.123574329405  7.967029436581  -0.197165628029  -0.406420805430  0.302456123257  0.000527480041  0.003351246273  -0.005453601385
  20  Al  4.077799979724  0.107963785378  4.059130051360  -0.170708126138  -0.350601958199  -0.020325303443  0.000785008475  0.003819231321  0.000263197515
  21  Al  4.075660170528  1.995560847163  6.103653376939  0.020674442561  0.163724365917  0.121129363413  0.001258460392  -0.000881752493  0.001746718351
  22  Al  6.076997320716  0.018282175596  6.091150836189  -0.017906907789  0.206162006109  0.099823039644  0.000122465757  0.001612960959  0.001032607859
  23  Al  6.154308375602  2.041667056394  4.029167711081  -0.203490037578  -0.007399580859  0.228635629235  0.002906010517  0.000707184870  -0.000067781120
  24  Al  4.075098388252  4.035193810863  0.110619508655  0.103841733052  -0.065064672425  -0.435483548726  0.001473614197  -0.000931568437  0.003837152044
  25  Al  4.013440836008  6.177655947372  2.120945723516  0.190502261132  -0.152849165458  -0.277972392213  -0.001224207506  0.004102053431  0.003592283266
  26  Al  6.019238536042  4.132288479713  1.954940005529  0.132887321401  -0.090022312997  0.232712700683  -0.002293255975  0.003650930769  -0.002583881140
  27  Al  6.032940433772  6.118571123740  0.092077511005  0.010895041649  -0.180439962718  -0.391380646077  -0.001793598612  0.001446565556  0.003304230634
  28  Al  4.071346946063  4.095075964785  4.122636696634  -0.064630311881  -0.000419650314  -0.230189745751  0.000786030341  0.001998647674  0.002454855984
  29  Al  3.968206765471  6.103695750115  6.209574908747  0.372020695542  -0.064819434015  -0.217591536132  -0.002494221365  0.001080534135  0.005285867767
  30  Al  6.100279842130  3.955357955979  6.095344045811  -0.057181323885  0.312179018542  -0.122878591036  0.001025918674  -0.003639440433  0.000763450024
  31  Al  6.160440152333  6.037941585538  4.034655496644  -0.206038742263  0.141604160389  -0.135878814391  0.003271040747  -0.001288310446  -0.001227796917


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)
  -75.981099167873  -0.224383947883  0.302485785520
  -0.224383947883  -76.768133389153  -1.552920946993
  0.302485785520  -1.552920946993  -70.063620524637
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.007201940160  8.071382902458  8.047784203655  0.284735155036  0.031106716723  -0.118217740226  -0.003247179209  -0.001159417439  -0.002725546941
  1  Al  8.060071254273  1.961195006646  1.933716969117  0.214437076746  0.173680226657  0.033507570318  -0.001075937669  -0.002309129866  -0.003921667987
  2  Al  1.970593425193  8.007769800800  1.980241615394  0.056479287740  0.262282355936  0.194918443352  -0.002123733136  -0.003605785682  -0.001393190309
  3  Al  1.964535635175  1.994987365779  8.073978895856  -0.004971524703  -0.039414788153  -0.150785535191  -0.002583001850  -0.001416424266  -0.001823715804
  4  Al  0.022167008576  8.028884415128  4.184489846594  0.167749763248  0.116606046937  -0.469351996419  0.001496573422  -0.002895859466  0.004639781120
  5  Al  0.012397609991  2.021422581770  6.126160018342  -0.006822440773  -0.076699729913  -0.187012831875  0.000496212679  -0.000370975286  0.001760581951
  6  Al  1.995885149267  8.094340227685  6.056348044870  -0.001945899574  0.188921688706  0.119746828296  -0.001439870854  0.000514001161  -0.000519587242
  7  Al  2.016654815876  2.041140910424  4.108596381023  -0.045576412445  -0.117105651122  -0.042475245762  -0.000494028358  0.000346428413  0.002621990700
  8  Al  8.060122782299  4.131533952727  7.980717160001  -0.004216034322  -0.228671654876  0.274785634476  -0.001754141670  0.002900125800  -0.004498175982
  9  Al  0.028657835251  6.062823256455  2.020184486588  -0.072187079336  -0.011205506498  0.091430707629  0.001139806328  -0.000560793275  0.000153678531
  10  Al  2.077120236125  3.962538424395  2.017897618315  -0.199413978536  0.413616179953  0.268937389811  0.001803407535  -0.002361121725  0.000443147903
  11  Al  2.041817309787  6.106134770980  0.109284316286  -0.128254907724  -0.038559804981  -0.041068050375  0.000277602463  0.001330263544  0.004993598118
  12  Al  8.057599144320  4.083717732880  3.978039801291  0.313582575265  -0.109406059438  0.229024605090  -0.000937447685  0.001341211020  -0.002386740445
  13  Al  0.007307108843  6.042613778635  5.994395564014  -0.070057256145  0.022627092442  0.223174480784  0.000173969942  -0.001329428011  -0.002977336324
  14  Al  2.004264264119  4.007328735516  6.106602200913  -0.084973894308  -0.099549868742  -0.216535737588  -0.001276933750  -0.002356439041  0.000790104575
  15  Al  2.104204561666  6.084777544176  3.955255624777  -0.341479138762  -0.146380021477  0.181559521198  0.002431706132  0.000025404596  -0.003943937807
  16  Al  4.155484419984  0.112638841695  0.003566429933  -0.039107565635  -0.178675072831  0.207015999144  0.004485070752  0.004605900700  0.000857055538
  17  Al  3.934600274582  1.930608481811  2.008993896871  0.351369779115  0.178216648805  0.024555951161  -0.003963275888  -0.003624432912  -0.000714366940
  18  Al  6.148926864446  8.003776161374  1.916325538607  -0.293670546862  0.166641656698  0.238987095627  0.002256179895  -0.004014081607  -0.004151791177
  19  Al  6.102653920930  2.125231889315  7.964315986915  -0.197229499256  -0.415868960101  0.322109512071  0.000492285471  0.003278150834  -0.005398447809
  20  Al  4.078184877647  0.109857847367  4.059260749723  -0.172897936804  -0.355189408953  -0.016293867043  0.000754387081  0.003756610262  0.000259956671
  21  Al  4.076290363782  1.995127262069  6.104532204571  0.020120182132  0.167951365206  0.119189969421  0.001262265868  -0.000852209894  0.001768423723
  22  Al  6.077057756949  0.019097921324  6.091671634105  -0.024081372336  0.201500732157  0.101933637528  0.000118727193  0.001649610849  0.001050775748
  23  Al  6.155752374798  2.042020339940  4.029144038355  -0.207480986073  -0.006042897331  0.224427955622  0.002869633044  0.000706071964  -0.000027283497
  24  Al  4.075839882611  4.034725089468  0.112518737384  0.104289271402  -0.062755265288  -0.448100685657  0.001492407433  -0.000943113309  0.003758637668
  25  Al  4.012837209779  6.179700268642  2.122729550975  0.200086752225  -0.155044358375  -0.287761303225  -0.001189440824  0.004075041986  0.003542155526
  26  Al  6.018097777151  4.134110034038  1.953658387227  0.139706521565  -0.101844190340  0.238702105764  -0.002269173068  0.003634235997  -0.002542059188
  27  Al  6.032044066003  6.119286385652  0.093712233932  0.007392922359  -0.185008457207  -0.410245665790  -0.001792189096  0.001414074527  0.003232976699
  28  Al  4.071737096589  4.096075331672  4.123853911144  -0.064800190415  -0.001750142452  -0.229096130308  0.000774557440  0.001998704984  0.002414102196
  29  Al  3.966976206845  6.104233153192  6.212208279834  0.376587225495  -0.066203356777  -0.216786892433  -0.002427605692  0.001068955905  0.005247696788
  30  Al  6.100790277209  3.953552077502  6.095720301804  -0.062964023305  0.328404611523  -0.129565100858  0.001015306074  -0.003582626665  0.000740976291
  31  Al  6.162066564006  6.037303720129  4.034035486481  -0.214405825013  0.143819873113  -0.130710624540  0.003233862189  -0.001262954099  -0.001251785721


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)
  -75.655570531854  -0.224052881257  0.329692191718
  -0.224052881257  -76.490821781882  -1.582662331708
  0.329692191718  -1.582662331708  -69.617949394742
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.005590971031  8.070804545963  8.046416056013  0.290270183016  0.030315528296  -0.115617808953  -0.003196205870  -0.001154081359  -0.002746818403
  1  Al  8.059542835217  1.960048129007  1.931757503574  0.216442417713  0.177257441231  0.037153293297  -0.001037558939  -0.002278063651  -0.003915876152
  2  Al  1.969534013193  8.005978512976  1.979553687080  0.053321863920  0.277771990430  0.199730713033  -0.002114200971  -0.003557985213  -0.001358093288
  3  Al  1.963243826845  1.994277345110  8.073060237754  -0.007481707715  -0.040191596123  -0.143446565872  -0.002584461438  -0.001423731349  -0.001850266168
  4  Al  0.022922842994  8.027441602146  4.186788910296  0.168554744010  0.122907683679  -0.481776272546  0.001526841437  -0.002874833789  0.004555367025
  5  Al  0.012645427734  2.021233653442  6.127032007970  -0.006482997793  -0.077671494516  -0.193985562728  0.000495089610  -0.000384826624  0.001726754623
  6  Al  1.995165079376  8.094605689947  6.056093586754  0.003082560849  0.182426634393  0.122074226679  -0.001439962218  0.000547270585  -0.000498036783
  7  Al  2.016405748156  2.041308901474  4.109905564211  -0.047362519758  -0.118471980751  -0.050924990191  -0.000502403813  0.000325412941  0.002613991646
  8  Al  8.059245465162  4.132973889724  7.978480206491  -0.003557212343  -0.231831585535  0.282803581897  -0.001755071750  0.002859343047  -0.004448927410
  9  Al  0.029224549266  6.062542340442  2.020265417841  -0.076129266347  -0.011213997446  0.090347039321  0.001126698820  -0.000562872863  0.000169951035
  10  Al  2.078013085631  3.961376274164  2.018131228285  -0.206952241391  0.411856762918  0.274543078189  0.001767317928  -0.002287636478  0.000491797369
  11  Al  2.041950387225  6.106798223011  0.111779444293  -0.128279876662  -0.042077325389  -0.054635719012  0.000254704084  0.001323232448  0.004985710985
  12  Al  8.057144406591  4.084383492208  3.976856589678  0.318455171784  -0.116546804029  0.229628844391  -0.000881065766  0.001321189386  -0.002346054263
  13  Al  0.007390968017  6.041950032211  5.992916773487  -0.071897278986  0.022777674869  0.230027305628  0.000161301762  -0.001325546766  -0.002937216708
  14  Al  2.003621956831  4.006145988443  6.106987600187  -0.082856763406  -0.091810448704  -0.222226935307  -0.001292109861  -0.002373863516  0.000750982736
  15  Al  2.105405230928  6.084783704177  3.953291641458  -0.346950616397  -0.149568988537  0.196501913828  0.002370482743  -0.000001051429  -0.003910665697
  16  Al  4.157725355172  0.114933957224  0.004004239506  -0.040712431146  -0.190165478963  0.206096883882  0.004478535556  0.004573541710  0.000894104918
  17  Al  3.932634212043  1.928804112051  2.008637787485  0.354934412022  0.182145621722  0.029344080035  -0.003900659706  -0.003592700378  -0.000709643735
  18  Al  6.150041901829  8.001776437019  1.914260188740  -0.292522582723  0.180099595082  0.247456778288  0.002204073482  -0.003983619091  -0.004108856954
  19  Al  6.102891263812  2.126852483644  7.961630983163  -0.194199785030  -0.426025617585  0.342295259732  0.000457355575  0.003203320315  -0.005339770018
  20  Al  4.078554367589  0.111720399543  4.059390008301  -0.176561941266  -0.361239143714  -0.012581691387  0.000723244604  0.003693061208  0.000257409884
  21  Al  4.076922437707  1.994708636384  6.105421802499  0.017645322723  0.171407732066  0.114533832772  0.001265811490  -0.000821983593  0.001789556909
  22  Al  6.077116048032  0.019931788158  6.092201613028  -0.026900803900  0.194701492878  0.101181916780  0.000114185026  0.001685254553  0.001069076205
  23  Al  6.157178011627  2.042373129091  4.029140427555  -0.207698452135  -0.005679257679  0.219319299029  0.002832898395  0.000705118576  0.000012386232
  24  Al  4.076590797236  4.034250696574  0.114378150228  0.102754949801  -0.058539529557  -0.459899676144  0.001511118327  -0.000954084121  0.003677961338
  25  Al  4.012251393948  6.181730993592  2.124487882722  0.207666831169  -0.156699109884  -0.295272168678  -0.001153144888  0.004047716630  0.003490503965
  26  Al  6.016969360617  4.135922719485  1.952397943701  0.149526413925  -0.112403276483  0.247383272304  -0.002243618232  0.003615568225  -0.002498941262
  27  Al  6.031148242815  6.119985199736  0.095310491063  0.006823599270  -0.188662010941  -0.428839473558  -0.001791158272  0.001380855913  0.003158391305
  28  Al  4.072121504307  4.097074671846  4.125050801338  -0.066903214326  -0.001558655216  -0.228412178894  0.000762886263  0.001998677049  0.002373522063
  29  Al  3.965779157257  6.104764707130  6.214822610987  0.378791553468  -0.066879075315  -0.218234016386  -0.002360396151  0.001057200894  0.005209506940
  30  Al  6.101295149259  3.951775325592  6.096085022872  -0.065714687801  0.346334404095  -0.139005800380  0.001003937589  -0.003522781561  0.000717063925
  31  Al  6.163674017881  6.036678630128  4.033403709622  -0.219105644547  0.147232814707  -0.125562459048  0.003195537376  -0.001237101702  -0.001274865688


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)
  -75.321616638487  -0.222415051003  0.359321219374
  -0.222415051003  -76.209484849513  -1.609293337877
  0.359321219374  -1.609293337877  -69.175628895148
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.004005730829  8.070228819850  8.045037382278  0.294222376310  0.030800660078  -0.113103699409  -0.003144404898  -0.001148781881  -0.002767659331
  1  Al  8.059033694210  1.958916940528  1.929801088724  0.216823918361  0.181219228591  0.038868086913  -0.000998970471  -0.002246338801  -0.003909638111
  2  Al  1.968479221932  8.004211811733  1.978883520635  0.052287810050  0.294904377291  0.202860059090  -0.002105060507  -0.003507292294  -0.001322293125
  3  Al  1.961951170938  1.993563632889  8.072128627685  -0.007839374689  -0.040731480128  -0.136080031544  -0.002586199976  -0.001431169472  -0.001875521446
  4  Al  0.023693851667  8.026009578226  4.189045218552  0.168090136474  0.130565504859  -0.493583683888  0.001557157273  -0.002852582001  0.004468814179
  5  Al  0.012892700137  2.021037754729  6.127886774835  -0.007626210644  -0.078281234925  -0.199136861485  0.000493898803  -0.000398824602  0.001691853584
  6  Al  1.994445185489  8.094887498863  6.055850007548  0.010604582824  0.176831541760  0.126134599247  -0.001438943959  0.000579468418  -0.000475916544
  7  Al  2.016152411519  2.041466323717  4.111210375500  -0.046597205964  -0.119658485650  -0.059144481484  -0.000510876035  0.000304169135  0.002604523760
  8  Al  8.058367708648  4.134393298870  7.976268227773  -0.004413278378  -0.236405077189  0.290640348590  -0.001756034767  0.002817887958  -0.004398292984
  9  Al  0.029784535291  6.062260382982  2.020354437807  -0.081503843074  -0.011518254167  0.087405566661  0.001112766267  -0.000564985566  0.000185867389
  10  Al  2.078887555966  3.960250785439  2.018389416216  -0.212131115439  0.408235395668  0.278337274131  0.001730101620  -0.002214641913  0.000541298224
  11  Al  2.042072014147  6.107458004861  0.114270032671  -0.125939465940  -0.045804956008  -0.069346021061  0.000232011752  0.001315564062  0.004975337653
  12  Al  8.056718077600  4.085038923697  3.975693744487  0.321577771674  -0.124913184519  0.230455471414  -0.000823968845  0.001299789977  -0.002305254806
  13  Al  0.007468410780  6.041288230433  5.991458344126  -0.075008691889  0.022490109632  0.238709468800  0.000148190537  -0.001321688691  -0.002895728017
  14  Al  2.002972152859  4.004954869429  6.107353184463  -0.078269992096  -0.084899416630  -0.226222944388  -0.001306699875  -0.002390001092  0.000710995884
  15  Al  2.106575046975  6.084776492746  3.951344954845  -0.350021401766  -0.153008741612  0.212108076555  0.002308507647  -0.000028103770  -0.003874691576
  16  Al  4.159962960390  0.117212388358  0.004460535820  -0.041222704320  -0.200504626427  0.204388805004  0.004471849069  0.004539266096  0.000930932271
  17  Al  3.930699610652  1.927015777542  2.008284252367  0.359901699420  0.186484040574  0.032686156675  -0.003837305779  -0.003560255362  -0.000704199125
  18  Al  6.151130940316  7.999792537970  1.912216677202  -0.293388584814  0.195147142486  0.254027549646  0.002152004123  -0.003950638245  -0.004064607610
  19  Al  6.103111277000  2.128435213100  7.958976211114  -0.193062451997  -0.435908427651  0.362706577748  0.000422797356  0.003126715492  -0.005277500661
  20  Al  4.078908123034  0.113550912575  4.059518159885  -0.178966948956  -0.365632312744  -0.008273286971  0.000691561466  0.003628601633  0.000255582055
  21  Al  4.077556176642  1.994305277586  6.106321763418  0.016324320826  0.175052515990  0.111204273017  0.001269029174  -0.000791125331  0.001809994524
  22  Al  6.077171942099  0.020783177702  6.092740711468  -0.032205694668  0.188874159403  0.102150198502  0.000108916857  0.001719788873  0.001087407800
  23  Al  6.158585276260  2.042725459279  4.029156424600  -0.210288718438  -0.004865218838  0.214313247698  0.002795932127  0.000704276444  0.000051157245
  24  Al  4.077351002574  4.033771004314  0.116196702705  0.102399224357  -0.055496740680  -0.472242861541  0.001529675893  -0.000964415746  0.003595147192
  25  Al  4.011684063642  6.183747989655  2.126220058720  0.216800205846  -0.158370425498  -0.304394296927  -0.001115359620  0.004020125118  0.003437388348
  26  Al  6.015854156489  4.137725606178  1.951159443258  0.157409667773  -0.124595667897  0.254378839882  -0.002216496493  0.003594895015  -0.002454437384
  27  Al  6.030252905792  6.120667243060  0.096870628658  0.004079025575  -0.192553386172  -0.448211036036  -0.001790439072  0.001346970079  0.003080428572
  28  Al  4.072499983679  4.098074010885  4.126227435777  -0.067620832376  -0.002904164406  -0.227035494816  0.000750967886  0.001998563213  0.002333141068
  29  Al  3.964615808138  6.105290355232  6.217417792415  0.382338158661  -0.067754185873  -0.217907351702  -0.002292683549  0.001045314745  0.005171256670
  30  Al  6.101794215886  3.950029292126  6.096437366506  -0.070692608310  0.363261755358  -0.146975040316  0.000991885231  -0.003459842201  0.000691597901
  31  Al  6.165262104843  6.036066617088  4.032760619412  -0.226059774393  0.149939555325  -0.119717508005  0.003156192956  -0.001210709288  -0.001296977024


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)
  -74.984553598930  -0.221396141779  0.389419316964
  -0.221396141779  -75.924205805371  -1.633833143434
  0.389419316964  -1.633833143434  -68.732501477681
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.002446562588  8.069655762787  8.043648393560  0.301798788221  0.029523116986  -0.109471832073  -0.003091593876  -0.001143562811  -0.002787978754
  1  Al  8.058543863619  1.957801787673  1.927847861054  0.220649111987  0.184265904838  0.043097834482  -0.000960009210  -0.002214002903  -0.003902902866
  2  Al  1.967428950312  8.002471216727  1.978231392464  0.047630302584  0.310740628898  0.207837513034  -0.002096446508  -0.003453675884  -0.001285774796
  3  Al  1.960657623952  1.992846174024  8.071184714193  -0.011681621746  -0.042114554158  -0.127285026419  -0.002588337548  -0.001438793498  -0.001899352384
  4  Al  0.024480002023  8.024589016928  4.191257729515  0.170322776208  0.136986470104  -0.506642108750  0.001587649663  -0.002829093885  0.004380065659
  5  Al  0.013139327095  2.020834828391  6.128723863463  -0.005459095931  -0.079468057961  -0.206385364646  0.000492803811  -0.000412988855  0.001655854019
  6  Al  1.993726133794  8.095185159019  6.055617669674  0.014787761611  0.169306267997  0.128240266699  -0.001436891986  0.000610503165  -0.000453246050
  7  Al  2.015894871545  2.041613070953  4.112510090908  -0.049661692929  -0.121278116740  -0.068801123066  -0.000519559663  0.000282674055  0.002593479688
  8  Al  8.057489428414  4.135791780860  7.974081908547  -0.001601112255  -0.239045306987  0.299336519950  -0.001756838846  0.002775807181  -0.004346212549
  9  Al  0.030337316788  6.061977354238  2.020451285440  -0.083600216979  -0.011080094719  0.086018331424  0.001098173731  -0.000567091695  0.000201400747
  10  Al  2.079743189202  3.959161629753  2.018672527119  -0.221088267966  0.405799358942  0.284002842575  0.001691631559  -0.002142198106  0.000591657000
  11  Al  2.042182399238  6.108113788556  0.116754787558  -0.127402490728  -0.048958804982  -0.082959537272  0.000209396611  0.001307291143  0.004962475257
  12  Al  8.056320436817  4.085683283651  3.974551332271  0.328219576520  -0.132153388940  0.230070401350  -0.000765997937  0.001277003793  -0.002264430616
  13  Al  0.007539158722  6.040628342030  5.990021042204  -0.074775746395  0.023151854583  0.245609686197  0.000134821363  -0.001317808492  -0.002852866124
  14  Al  2.002315255482  4.003755984655  6.107698596872  -0.077404314385  -0.076319311545  -0.232278853421  -0.001320816318  -0.002404777556  0.000670110841
  15  Al  2.107713741179  6.084755600376  3.949416945513  -0.356446996783  -0.155774143544  0.226989510857  0.002245695173  -0.000055715125  -0.003836021259
  16  Al  4.162197209284  0.119473228439  0.004935172826  -0.044968999500  -0.212580589068  0.203557802759  0.004464821290  0.004503022248  0.000967546415
  17  Al  3.928796901936  1.925243852673  2.007933587566  0.360749711154  0.190005121316  0.038062155885  -0.003773457145  -0.003527134931  -0.000697980603
  18  Al  6.152193908379  7.997825794319  1.910195576546  -0.290088324399  0.209002038138  0.263040102695  0.002100164108  -0.003915104051  -0.004018995096
  19  Al  6.103314061645  2.129979202662  7.956353476551  -0.187974257382  -0.446419358449  0.383997150687  0.000388794456  0.003048304211  -0.005211541238
  20  Al  4.079245929835  0.115349005268  4.059645590645  -0.184456328865  -0.371947723113  -0.004797470265  0.000659174081  0.003563207819  0.000254452216
  21  Al  4.078191468312  1.993917510161  6.107231799065  0.011500745519  0.177660973541  0.105714890285  0.001271709393  -0.000759710569  0.001829662975
  22  Al  6.077224965012  0.021651578971  6.093289022054  -0.033925934242  0.180945528569  0.100765350086  0.000103020802  0.001753113889  0.001105714638
  23  Al  6.159973946907  2.043077406329  4.029191584858  -0.208557600268  -0.004984248533  0.207891281572  0.002758908772  0.000703502665  0.000088912691
  24  Al  4.078120474854  4.033286279740  0.117973301475  0.098501270216  -0.050655001284  -0.482976633112  0.001547869657  -0.000974052649  0.003510289995
  25  Al  4.011136033070  6.185751123244  2.127925274946  0.222344443261  -0.159440191570  -0.311442841303  -0.001076266559  0.003992320663  0.003382850095
  26  Al  6.014752861624  4.139517618555  1.949943503549  0.168783808358  -0.135214804463  0.263453774844  -0.002187668985  0.003572211632  -0.002408512246
  27  Al  6.029357801723  6.121332171334  0.098390923110  0.005022573754  -0.195740995867  -0.466614629428  -0.001789896907  0.001312458477  0.002999104760
  28  Al  4.072872473040  4.099073237313  4.127383945037  -0.071887288334  -0.002430323324  -0.226796347926  0.000738608907  0.001998389419  0.002292919595
  29  Al  3.963486471122  6.105810023053  6.219993873489  0.382101024244  -0.067642837316  -0.219765374480  -0.002224685729  0.001033367970  0.005132910408
  30  Al  6.102287035609  3.948315479489  6.096776621552  -0.071934611893  0.381904513133  -0.156884077213  0.000979283928  -0.003393744533  0.000664535925
  31  Al  6.166830214397  6.035467919474  4.032106731136  -0.229496992653  0.153956075516  -0.114584196010  0.003115942105  -0.001183722786  -0.001318121766


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)
  -74.639119769470  -0.218745551580  0.423285877990
  -0.218745551580  -75.634955797376  -1.655047360685
  0.423285877990  -1.655047360685  -68.295872429551
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.000914133326  8.069085255697  8.042249400253  0.304567701540  0.030619317821  -0.106160085057  -0.003037878603  -0.001138369846  -0.002807706656
  1  Al  8.058073683873  1.956702935027  1.925898181278  0.219616270170  0.189331066486  0.043313861760  -0.000920801190  -0.002180957426  -0.003895805633
  2  Al  1.966382772965  8.000758131796  1.977597744330  0.047773606218  0.328871483783  0.209553872345  -0.002088254391  -0.003397046545  -0.001248664325
  3  Al  1.959362830353  1.992124837703  8.070229273072  -0.010612181507  -0.041521424456  -0.119022412635  -0.002590747599  -0.001446502815  -0.001921679772
  4  Al  0.025281503192  8.023180481022  4.193425289350  0.168706900185  0.145423088475  -0.518425471942  0.001618216831  -0.002804300221  0.004289123252
  5  Al  0.013385504526  2.020624765389  6.129542630797  -0.007779919985  -0.078733911584  -0.210005821223  0.000491699519  -0.000427199662  0.001618892571
  6  Al  1.993008291817  8.095498002745  6.055396760966  0.024021308861  0.163796176548  0.133747929456  -0.001433653603  0.000640383035  -0.000429895573
  7  Al  2.015632851246  2.041748998104  4.113803858232  -0.047291068622  -0.121374823868  -0.077575186432  -0.000528311551  0.000261024807  0.002580810348
  8  Al  8.056610867741  4.137169109308  7.971922010124  -0.003498671647  -0.244368129066  0.307462806670  -0.001757577730  0.002733033864  -0.004292660627
  9  Al  0.030882710311  6.061693290622  2.020555838790  -0.090119188413  -0.012433268111  0.081351234534  0.001082818927  -0.000569285271  0.000216397123
  10  Al  2.080579189510  3.958108584820  2.018981073910  -0.224747006014  0.400675818520  0.286020975804  0.001652043378  -0.002070438903  0.000642716166
  11  Al  2.042281411003  6.108765297538  0.119232513751  -0.123519963271  -0.053895147281  -0.098352789156  0.000186996213  0.001298305854  0.004947063920
  12  Al  8.055952078764  4.086315928988  3.973429311214  0.329653650036  -0.141288963845  0.230317581477  -0.000707303098  0.001252761900  -0.002223633573
  13  Al  0.007603232301  6.039970420395  5.988605474654  -0.078743236356  0.021566510142  0.255777444735  0.000121117467  -0.001314022602  -0.002808498251
  14  Al  2.001651334991  4.002550089051  6.108023296090  -0.071195485965  -0.069479957787  -0.234613088113  -0.001334314829  -0.002418200247  0.000628475545
  15  Al  2.108820744783  6.084720777555  3.947508929085  -0.357784374413  -0.160212873999  0.242612338655  0.002182199841  -0.000083975418  -0.003794653531
  16  Al  4.164427786919  0.121715415890  0.005428083370  -0.044952290233  -0.222410161563  0.201609206633  0.004457500770  0.004464856397  0.001003926832
  17  Al  3.926926149080  1.923488638473  2.007586270945  0.366390168471  0.195562454501  0.040243845865  -0.003709053745  -0.003493230676  -0.000691091937
  18  Al  6.153231106887  7.995877429325  1.908197677391  -0.291687254392  0.225247404216  0.268205447457  0.002048487759  -0.003876909797  -0.003972145482
  19  Al  6.103500071911  2.131483520888  7.953764663762  -0.187494004398  -0.454896524727  0.405392022228  0.000355287734  0.002968211548  -0.005141803937
  20  Al  4.079567297889  0.117114124575  4.059772612400  -0.185832511878  -0.375191106648  -0.000465460977  0.000626173977  0.003496982522  0.000254022653
  21  Al  4.078827887528  1.993545566126  6.108151428539  0.010894715383  0.182427453183  0.103223292145  0.001273916497  -0.000727638640  0.001848638081
  22  Al  6.077274963022  0.022536293649  6.093846427404  -0.040733105224  0.175178262074  0.102846528323  0.000096362383  0.001785236031  0.001124096950
  23  Al  6.161344188269  2.043428962770  4.029245337396  -0.212437054146  -0.002754276006  0.202025960384  0.002721713384  0.000702924085  0.000125576311
  24  Al  4.078898874047  4.032796950522  0.119706996819  0.098710215667  -0.048174338076  -0.495055953872  0.001565750938  -0.000983045508  0.003423412754
  25  Al  4.010607795820  6.187740315003  2.129602912784  0.232598705900  -0.161931868105  -0.321744180160  -0.001035764973  0.003964230826  0.003326783795
  26  Al  6.013666484938  4.141297822002  1.948750928186  0.175657019716  -0.148690729959  0.269211126121  -0.002157226018  0.003547403892  -0.002361276374
  27  Al  6.028463006785  6.121979703076  0.099869736936  0.001138472577  -0.200784162713  -0.486209523376  -0.001789634322  0.001277217880  0.002914398995
  28  Al  4.073238593453  4.100072402650  4.128520358063  -0.071335024245  -0.004646015766  -0.225165800033  0.000725922838  0.001998078578  0.002252880465
  29  Al  3.962391119798  6.106323724414  6.222550708846  0.386253071844  -0.069633853733  -0.217916080050  -0.002156348087  0.001021260948  0.005094605430
  30  Al  6.102773500963  3.946635543611  6.097101903210  -0.078272982385  0.398601514150  -0.163743044181  0.000966012088  -0.003324508698  0.000635976768
  31  Al  6.168378050604  6.034882892912  4.031442496100  -0.237946483471  0.155120987393  -0.108460577384  0.003074651386  -0.001156279893  -0.001338275713


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)
  -74.292717185085  -0.217083663918  0.458067686980
  -0.217083663918  -75.342966164003  -1.674511744286
  0.458067686980  -1.674511744286  -67.857683307895
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.999408680280  8.068517391553  8.040840683480  0.310223206386  0.029711964931  -0.103011172660  -0.002983430774  -0.001133170211  -0.002826887525
  1  Al  8.057623061306  1.955620827586  1.923952050670  0.221578319055  0.192096801179  0.047558819087  -0.000881512545  -0.002147227551  -0.003888346287
  2  Al  1.965340693375  7.999074166039  1.976982726616  0.044305005185  0.345299420863  0.214569100834  -0.002080378540  -0.003337351065  -0.001210957994
  3  Al  1.958066873194  1.991399669445  8.069263032077  -0.012912278839  -0.042928383304  -0.110635788645  -0.002593293288  -0.001454300249  -0.001942541005
  4  Al  0.026098220828  8.021784713287  4.195546857998  0.169261631722  0.152386982608  -0.530180974831  0.001648709944  -0.002778152816  0.004196102949
  5  Al  0.013631027213  2.020407628207  6.130342758008  -0.007253141263  -0.080075050910  -0.217503428296  0.000490439428  -0.000441471254  0.001580946709
  6  Al  1.992292478442  8.095825542835  6.055187773577  0.029847810825  0.156178466393  0.135682865080  -0.001429082159  0.000669100378  -0.000405879983
  7  Al  2.015366559349  2.041874096078  4.115090904404  -0.048890218314  -0.123224674657  -0.086430968391  -0.000537001057  0.000239200470  0.002566587786
  8  Al  8.055731848541  4.138524818058  7.969789242684  -0.001971475850  -0.247416432355  0.315180313245  -0.001758366951  0.002689531607  -0.004237725042
  9  Al  0.031420137036  6.061408068273  2.020667682827  -0.093595924406  -0.011650126394  0.079926930580  0.001066578425  -0.000571535716  0.000230853479
  10  Al  2.081395234594  3.957091188325  2.019315244068  -0.232279441173  0.397122657594  0.291289566009  0.001611464132  -0.001999463697  0.000694441544
  11  Al  2.042369395680  6.109412095994  0.121701857511  -0.123185199190  -0.057106266129  -0.113533759817  0.000164970973  0.001288603268  0.004928964614
  12  Al  8.055613132857  4.086936047079  3.972327695987  0.334466761601  -0.148998952869  0.230655992146  -0.000648046858  0.001227022063  -0.002182799041
  13  Al  0.007660276336  6.039314317825  5.987212540528  -0.079717439314  0.022493575310  0.262596355664  0.000106970653  -0.001310307724  -0.002762631616
  14  Al  2.000980939026  4.001337781459  6.108327073183  -0.068678798567  -0.060816506889  -0.240442736658  -0.001347048441  -0.002430262637  0.000586109546
  15  Al  2.109895943681  6.084671624855  3.945622287354  -0.362813867357  -0.162601668864  0.258694916019  0.002118145964  -0.000112851647  -0.003750481177
  16  Al  4.166654715490  0.123938090281  0.005939100883  -0.047357882277  -0.234339282005  0.199363610830  0.004450008826  0.004424782279  0.001039948065
  17  Al  3.925087843667  1.921750617737  2.007242494787  0.368472519536  0.198707281269  0.045707370109  -0.003643985277  -0.003458576752  -0.000683525316
  18  Al  6.154242398637  7.993948879793  1.906223426219  -0.289273761325  0.240075135717  0.277036067395  0.001996895596  -0.003835968777  -0.003924075408
  19  Al  6.103669349811  2.132947417830  7.951211666343  -0.183419858211  -0.465577471609  0.426168404325  0.000322186103  0.002886421606  -0.005068334691
  20  Al  4.079872104575  0.118845992055  4.059899613608  -0.189784588573  -0.380413281558  0.004217873103  0.000592698105  0.003430023383  0.000254401526
  21  Al  4.079465386363  1.993189870634  6.109080439400  0.007332209433  0.184656972272  0.097286924003  0.001275763666  -0.000694942977  0.001866880806
  22  Al  6.077321327513  0.023436817179  6.094413120375  -0.043881671979  0.167360556064  0.101247987973  0.000088813684  0.001816166283  0.001142536403
  23  Al  6.162695663610  2.043780331271  4.029317161322  -0.211858084536  -0.003211503539  0.196209372901  0.002684243222  0.000702510745  0.000161202793
  24  Al  4.079686227702  4.032303233033  0.121396718404  0.095672411000  -0.043553824024  -0.506710184183  0.001583397503  -0.000991414531  0.003334432461
  25  Al  4.010100266835  6.189715358904  2.131252062799  0.239586784560  -0.162363967724  -0.328804123233  -0.000993725157  0.003935913496  0.003269188342
  26  Al  6.012595632974  4.143065026774  1.947582224295  0.186070258388  -0.160145128106  0.278203075575  -0.002125253461  0.003520397609  -0.002312736948
  27  Al  6.027568165219  6.122609390772  0.101305325659  0.000632782244  -0.203451219376  -0.505729206563  -0.001789781586  0.001241294516  0.002826210414
  28  Al  4.073598396763  4.101071318327  4.129636828249  -0.074198955250  -0.004930870662  -0.223530415812  0.000713035048  0.001997563561  0.002213148609
  29  Al  3.961330120406  6.106831285247  6.225088485133  0.386888580699  -0.069263528568  -0.219274003156  -0.002087592045  0.001009016953  0.005056387603
  30  Al  6.103253048875  3.944990966736  6.097412599096  -0.080884197090  0.416724789732  -0.173792643303  0.000951947290  -0.003252180546  0.000605907316
  31  Al  6.169904869533  6.034311638171  4.030768453790  -0.242381497117  0.159253535610  -0.102016139331  0.003032231767  -0.001128370068  -0.001357322356


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)
  -73.940626664325  -0.213922112812  0.494993854918
  -0.213922112812  -75.047333251839  -1.689954875411
  0.494993854918  -1.689954875411  -67.424237124323
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.997930698773  8.067952084050  8.039422509147  0.313992490262  0.029703146264  -0.099427997112  -0.002928160863  -0.001128063024  -0.002845498428
  1  Al  8.057192170212  1.954555704757  1.922009830067  0.221469179952  0.195882615732  0.049636947843  -0.000842060232  -0.002112927679  -0.003880359581
  2  Al  1.964302391790  7.997420776505  1.976386784803  0.042783053974  0.362730431287  0.217744056280  -0.002072968514  -0.003274651559  -0.001172525001
  3  Al  1.956769533780  1.990670535612  8.068286729606  -0.013107451283  -0.043467275650  -0.101824599863  -0.002596088721  -0.001462287720  -0.001961887919
  4  Al  0.026930215225  8.020402324687  4.197621397614  0.168173559898  0.160106199922  -0.541757679399  0.001679177393  -0.002750716099  0.004101022605
  5  Al  0.013875944576  2.020183293576  6.131123579508  -0.008785088103  -0.080395832868  -0.222844835552  0.000489094201  -0.000455898405  0.001541862241
  6  Al  1.991579207848  8.096167103970  6.054990880468  0.037758261244  0.149254895270  0.139541590070  -0.001423296163  0.000696529432  -0.000381346274
  7  Al  2.015095849509  2.041988198877  4.116370449269  -0.047994732390  -0.124287712700  -0.095476424056  -0.000545760428  0.000217114278  0.002550788148
  8  Al  8.054852498563  4.139858644321  7.967684279714  -0.002589402445  -0.251479675674  0.323132944600  -0.001759092781  0.002645413045  -0.004181421580
  9  Al  0.031949290087  6.061121754182  2.020786692561  -0.099059436164  -0.011843815114  0.076545802890  0.001049546517  -0.000573739630  0.000244885069
  10  Al  2.082190655683  3.956109118591  2.019675516334  -0.237341311104  0.392334030758  0.294543673265  0.001569768005  -0.001929242026  0.000746945028
  11  Al  2.042446382186  6.110053902437  0.124161484608  -0.120767033323  -0.061076680403  -0.129087879877  0.000143189659  0.001278269910  0.004908163974
  12  Al  8.055304031085  4.087542952606  3.971246509408  0.336756304760  -0.157346024842  0.230736527770  -0.000588151714  0.001199854474  -0.002141941922
  13  Al  0.007710203090  6.038660111012  5.985842839539  -0.082550928010  0.022310151267  0.271230409254  0.000092481996  -0.001306538944  -0.002715403214
  14  Al  2.000304284844  4.000119823337  6.108609406378  -0.063963892583  -0.052805998923  -0.244342016784  -0.001359151344  -0.002440860924  0.000542872178
  15  Al  2.110938893430  6.084607925765  3.943758443158  -0.365669682513  -0.165869875517  0.274563137057  0.002053397215  -0.000142239873  -0.003703482304
  16  Al  4.168877801381  0.126140203773  0.006468032753  -0.048334599458  -0.245168863296  0.196978104185  0.004442258119  0.004382711017  0.001075572085
  17  Al  3.923282159188  1.920030057340  2.006902744764  0.372522804858  0.203163300870  0.049454994713  -0.003578393875  -0.003423272102  -0.000675140725
  18  Al  6.155228005013  7.992041455690  1.904273597013  -0.288735820638  0.255859693712  0.283788592807  0.001945578414  -0.003792322342  -0.003874643274
  19  Al  6.103822258423  2.134369946150  7.948696322652  -0.181220937807  -0.475090966481  0.447482629434  0.000289642766  0.002802840906  -0.004991140512
  20  Al  4.080159996744  0.120544152302  4.060027014248  -0.192055391861  -0.384216100651  0.008824414068  0.000558665961  0.003362280218  0.000255613620
  21  Al  4.080103652810  1.992850622269  6.110018311710  0.005487408668  0.187954501642  0.092982801631  0.001277140596  -0.000661754425  0.001884230024
  22  Al  6.077363776819  0.024352462232  6.094988965253  -0.049077826593  0.160353064982  0.101525287410  0.000080518474  0.001845794839  0.001160872512
  23  Al  6.164028434890  2.044131474405  4.029406540393  -0.213683388050  -0.002245111810  0.190118343705  0.002646682156  0.000702149953  0.000195772539
  24  Al  4.080482273555  4.031805534735  0.123041433503  0.094513388179  -0.040058813725  -0.518150503369  0.001600687941  -0.000999069453  0.003243405380
  25  Al  4.009614069404  6.191676233484  2.132872105267  0.248533934438  -0.163765646510  -0.337597796181  -0.000950263258  0.003907466996  0.003210198355
  26  Al  6.011541228785  4.144818224069  1.946438188309  0.194488303657  -0.172736433037  0.285510176001  -0.002091613094  0.003491272276  -0.002262755094
  27  Al  6.026673222932  6.123220999164  0.102695950930  -0.001647781671  -0.207195012998  -0.525254397839  -0.001790196070  0.001204804196  0.002734543972
  28  Al  4.073951629404  4.102069968740  4.130733509475  -0.074888478955  -0.006443015511  -0.221951846054  0.000699834490  0.001996907969  0.002173719477
  29  Al  3.960303525110  6.107332742645  6.227607102852  0.389339842351  -0.069898561745  -0.218751021589  -0.002018569020  0.000996757332  0.005018139486
  30  Al  6.103725449458  3.943383358946  6.097707811294  -0.085530946856  0.434102497078  -0.182268372961  0.000937240719  -0.003176698476  0.000574182394
  31  Al  6.171410286211  6.033754521416  4.030085172025  -0.248814402431  0.161636888672  -0.095605062348  0.002988863648  -0.001099884163  -0.001375236682


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)
  -73.587577517983  -0.211761664816  0.533085400951
  -0.211761664816  -74.748662705938  -1.703355319851
  0.533085400951  -1.703355319851  -66.992005463363
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.996480515569  8.067389327047  8.037995181313  0.321153078005  0.028482508511  -0.094987546977  -0.002871934130  -0.001123076629  -0.002863425237
  1  Al  8.056780999967  1.953507897131  1.920071685990  0.224605659672  0.198504690015  0.053953110078  -0.000802338731  -0.002078070646  -0.003871840350
  2  Al  1.963267722136  7.995799510177  1.975810200074  0.037860012987  0.379141797679  0.222561103815  -0.002066155065  -0.003208948917  -0.001133382592
  3  Al  1.955470781061  1.989937379803  8.067301141580  -0.016619426620  -0.044962133910  -0.092028217266  -0.002599243327  -0.001470473836  -0.001979595329
  4  Al  0.027777400427  8.019033993573  4.199647885992  0.169687836681  0.166962742607  -0.554317545581  0.001709706215  -0.002721999911  0.004003809533
  5  Al  0.014120122057  2.019951729203  6.131884622276  -0.007055096618  -0.081453952698  -0.230083153193  0.000487771556  -0.000470456304  0.001501661927
  6  Al  1.990869180409  8.096522073182  6.054806426802  0.042401228461  0.141068399810  0.141726911994  -0.001416401628  0.000722619931  -0.000356271607
  7  Al  2.014820798204  2.042091210642  4.117641695904  -0.050908097513  -0.126008615667  -0.105497749567  -0.000554707564  0.000194777343  0.002533307577
  8  Al  8.053972753449  4.141170234578  7.965607815609  0.000500366714  -0.254145733138  0.331664955294  -0.001759616177  0.002600712337  -0.004123677596
  9  Al  0.032469684933  6.060834327889  2.020912568217  -0.101269872089  -0.011044541395  0.074646121315  0.001031836325  -0.000575895821  0.000258449690
  10  Al  2.082965004662  3.955161943764  2.020062190078  -0.246047251505  0.388427142209  0.299269037593  0.001526849614  -0.001859804947  0.000800179542
  11  Al  2.042512585527  6.110690367584  0.126610027935  -0.121886752930  -0.064402544039  -0.143682113752  0.000121521881  0.001267295679  0.004884715392
  12  Al  8.055024980370  4.088135903130  3.970185751250  0.342524242738  -0.164880731790  0.230004174611  -0.000527531179  0.001171274443  -0.002101157920
  13  Al  0.007752758454  6.038007777165  5.984497133746  -0.082066635545  0.023207013287  0.278149081204  0.000077781574  -0.001302719366  -0.002666803937
  14  Al  1.999621785896  3.998896917328  6.108869946074  -0.062921430822  -0.043687750369  -0.249975355859  -0.001370755988  -0.002449955314  0.000498780157
  15  Al  2.111949343595  6.084529384795  3.941918800184  -0.371911577774  -0.168246253378  0.289756805783  0.001987844522  -0.000172139731  -0.003653736310
  16  Al  4.171096979446  0.128320807057  0.007014674381  -0.052436614392  -0.257353008674  0.195279086084  0.004434098440  0.004338620239  0.001110848818
  17  Al  3.921509445090  1.918327341137  2.006567353175  0.372602495228  0.206471506913  0.054936147590  -0.003512458507  -0.003387302569  -0.000665936521
  18  Al  6.156187979607  7.990156552468  1.902348777854  -0.284201901484  0.270777118747  0.292645533000  0.001894725530  -0.003745962520  -0.003823846929
  19  Al  6.103958992958  2.135750262420  7.946220519272  -0.175179668787  -0.485460318549  0.469311736335  0.000257833143  0.002717496333  -0.004910126907
  20  Al  4.080430771271  0.122208276691  4.060155227564  -0.197262368142  -0.389482227155  0.012676026241  0.000523964764  0.003293748839  0.000257584845
  21  Al  4.080742528636  1.992528115340  6.110964671900  0.000219662495  0.190012116789  0.086861321450  0.001277895246  -0.000628087836  0.001900670084
  22  Al  6.077401846093  0.025282614444  6.095573994413  -0.050803241722  0.151825377142  0.099778807734  0.000071603720  0.001874059286  0.001179092843
  23  Al  6.165342349244  2.044482482147  4.029512934118  -0.211289737662  -0.002440252639  0.182939307083  0.002609192647  0.000701865407  0.000229164323
  24  Al  4.081286917746  4.031304162267  0.124640128046  0.089725940827  -0.035195359358  -0.528252434184  0.001617466709  -0.001005988956  0.003150469293
  25  Al  4.009150002328  6.193622831034  2.134462265372  0.253889796086  -0.164138844051  -0.344631427826  -0.000905524423  0.003878897458  0.003149815940
  26  Al  6.010504017131  4.146556303637  1.945319466228  0.206264947738  -0.184164858741  0.294519037009  -0.002056182817  0.003460030550  -0.002211328869
  27  Al  6.025777966797  6.123814196551  0.104039873224  -0.000463786613  -0.209829974162  -0.543818824382  -0.001790727432  0.001167749396  0.002639483605
  28  Al  4.074298232173  4.103068228920  4.131810550582  -0.079053103062  -0.006617043794  -0.221177180583  0.000686204808  0.001996122423  0.002134516180
  29  Al  3.959311548733  6.107828043888  6.230106631213  0.388090152166  -0.069358122604  -0.219997452881  -0.001949446869  0.000984497416  0.004979872153
  30  Al  6.104190290826  3.941814264086  6.097986782245  -0.086472613731  0.452381504650  -0.192426700933  0.000922041583  -0.003098047648  0.000540791550
  31  Al  6.172893737108  6.033211752563  4.029393215302  -0.251676242790  0.165610347750  -0.089802601228  0.002944687752  -0.001070836131  -0.001392076766


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)
  -73.228534546073  -0.208217935300  0.574728499690
  -0.208217935300  -74.447253689685  -1.713169839940
  0.574728499690  -1.713169839940  -66.567147738874
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.995058760732  8.066829005892  8.036559080010  0.323712381547  0.028901488469  -0.090890371598  -0.002814858475  -0.001118173124  -0.002880623333
  1  Al  8.056389830388  1.952477631280  1.918137984443  0.223007563754  0.203427032503  0.054617415063  -0.000762480578  -0.002042554784  -0.003862916192
  2  Al  1.962236233911  7.994211823217  1.975253400667  0.037727125135  0.397081117646  0.224292601982  -0.002059814754  -0.003140196948  -0.001093659291
  3  Al  1.954170286913  1.989200059773  8.066307131581  -0.015295194797  -0.044417652381  -0.082645352742  -0.002602622382  -0.001478762502  -0.001995612934
  4  Al  0.028639923769  8.017680321069  4.201625212601  0.167224220115  0.175019849425  -0.565562053379  0.001740174734  -0.002691974222  0.003904492492
  5  Al  0.014363716796  2.019712836632  6.132625243481  -0.009914630361  -0.080411499579  -0.233975602705  0.000486352956  -0.000485023577  0.001460474822
  6  Al  1.990162804291  8.096889724885  6.054634608376  0.051934928435  0.134184879603  0.146999248887  -0.001408253604  0.000747376026  -0.000330529096
  7  Al  2.014541141189  2.042182976485  4.118903760296  -0.048306886117  -0.125790400635  -0.114769374004  -0.000563690394  0.000172303773  0.002514126121
  8  Al  8.053092879989  4.142459360200  7.963560596502  -0.001272184654  -0.258802628239  0.339661879148  -0.001760041013  0.002555376339  -0.004064489199
  9  Al  0.032981127817  6.060545857576  2.021045142604  -0.107934236187  -0.012260593383  0.069825459171  0.001013340369  -0.000578095955  0.000271418933
  10  Al  2.083717507377  3.954249311111  2.020475696966  -0.249313350037  0.382498187539  0.300908896522  0.001482868953  -0.001791253803  0.000854002329
  11  Al  2.042567904233  6.111321199842  0.129046206653  -0.117819545575  -0.069552444981  -0.159835122039  0.000100114689  0.001255575244  0.004858566175
  12  Al  8.054776499187  4.088714228644  3.969145348626  0.343196342740  -0.173647097222  0.229775377068  -0.000466328647  0.001141244052  -0.002060474642
  13  Al  0.007787984770  6.037357389871  5.983176031969  -0.085799992661  0.021795182010  0.287947952324  0.000062788610  -0.001298959225  -0.002616729364
  14  Al  1.998933526989  3.997669864685  6.109108187214  -0.056576353099  -0.035666554692  -0.252435101832  -0.001381717292  -0.002457545689  0.000453961284
  15  Al  2.112926740660  6.084435785800  3.940104701872  -0.372995463764  -0.172649382755  0.305531119457  0.001921645525  -0.000202653489  -0.003601251402
  16  Al  4.173311905860  0.130478829921  0.007578883084  -0.052861388087  -0.267732087953  0.192638923749  0.004425580572  0.004292550553  0.001145756599
  17  Al  3.919769695897  1.916642750158  2.006236807336  0.377383549514  0.212084453628  0.057585252899  -0.003446113712  -0.003350565112  -0.000656010823
  18  Al  6.157122733124  7.988295488068  1.900449744876  -0.284640413805  0.287177885964  0.298185696093  0.001844249376  -0.003696834140  -0.003771794886
  19  Al  6.104080091917  2.137087446184  7.943786189057  -0.173771183640  -0.493375943966  0.491030335747  0.000226686130  0.002630529639  -0.004825257143
  20  Al  4.080683962222  0.123837905627  4.060284599443  -0.198243805459  -0.392329163415  0.017285151670  0.000488709129  0.003224514362  0.000260315716
  21  Al  4.081381549796  1.992222533577  6.111918984382  -0.000729335158  0.194365884294  0.083348742859  0.001278108093  -0.000593848210  0.001916272654
  22  Al  6.077435380637  0.026226524070  6.096168059702  -0.057524979746  0.144924917474  0.100937308995  0.000061932743  0.001900970239  0.001197276994
  23  Al  6.166637631091  2.044833340769  4.029635705027  -0.214501965795  -0.000255036883  0.176402990712  0.002571650904  0.000701766357  0.000261338899
  24  Al  4.082099742468  4.030799544409  0.126191907086  0.089209452066  -0.032042705208  -0.539406952220  0.001633792128  -0.001012204038  0.003055648617
  25  Al  4.008708543748  6.195555136224  2.136021925497  0.263965071168  -0.166333348515  -0.354433497023  -0.000859406941  0.003850134844  0.003087950589
  26  Al  6.009485043167  4.148278259332  1.944226856428  0.213447403460  -0.197529121339  0.300438674011  -0.002019072790  0.003426603573  -0.002158581801
  27  Al  6.024882493061  6.124388750151  0.105335438130  -0.004021468209  -0.214761145082  -0.563335638095  -0.001791490572  0.001130023508  0.002541028405
  28  Al  4.074637835147  4.104066093882  4.132868028562  -0.078632960431  -0.008803291915  -0.219233100637  0.000672245107  0.001995147371  0.002095571424
  29  Al  3.958354075586  6.108317241402  6.232586981788  0.391302480159  -0.071161334841  -0.218068160634  -0.001880156804  0.000972132875  0.004941712417
  30  Al  6.104647492298  3.940285307078  6.098248603581  -0.092454322924  0.469364004832  -0.199649140811  0.000906230460  -0.003016262304  0.000505846019
  31  Al  6.174354977974  6.032683683826  4.028693093363  -0.259500857586  0.166696549596  -0.083173558637  0.002899579678  -0.001041341633  -0.001407823800


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)
  -72.871082669330  -0.205756334462  0.617450866059
  -0.205756334462  -74.143946930038  -1.720666776393
  0.617450866059  -1.720666776393  -66.142443992099
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.993665653123  8.066271152346  8.035114553917  0.329092680798  0.027806490843  -0.087129728401  -0.002757092730  -0.001113341612  -0.002897154831
  1  Al  8.056018518314  1.951465339467  1.916208764350  0.224337909242  0.206048278733  0.058852824053  -0.000722646651  -0.002006380037  -0.003853595528
  2  Al  1.961207904476  7.992659308799  1.974716539241  0.034296327003  0.413549319236  0.229027053575  -0.002053814909  -0.003068389650  -0.001053361913
  3  Al  1.952868155009  1.988458615215  8.065305525831  -0.016996945534  -0.045759214399  -0.073600353362  -0.002606065153  -0.001487140783  -0.002010008689
  4  Al  0.029517577615  8.016342015554  4.203552383991  0.167112607991  0.181998733235  -0.576511183623  0.001770438902  -0.002660628204  0.003803214390
  5  Al  0.014606475699  2.019466704942  6.133345099158  -0.009850530721  -0.081374930106  -0.241339700741  0.000484689592  -0.000499592267  0.001418289139
  6  Al  1.989460924819  8.097269450262  6.054475897240  0.058326085755  0.125859762870  0.149042544842  -0.001398695893  0.000770785882  -0.000304130866
  7  Al  2.014257107014  2.042263514657  4.120155825571  -0.049427177802  -0.127473632165  -0.123649686595  -0.000572549022  0.000149696482  0.002493345998
  8  Al  8.052212709953  4.143725614521  7.961543320678  0.000476946678  -0.261619010589  0.346989454980  -0.001760487819  0.002509391466  -0.004003964044
  9  Al  0.033483026731  6.060256231119  2.021183987533  -0.111487522587  -0.011389904940  0.067879730437  0.000993938411  -0.000580333923  0.000283788947
  10  Al  2.084447875707  3.953370687434  2.020916193611  -0.256193546713  0.377926794231  0.305242772454  0.001437988651  -0.001723647372  0.000908380011
  11  Al  2.042612700357  6.111945944599  0.131468600963  -0.117023154399  -0.073035941138  -0.175798928819  0.000079139020  0.001243094586  0.004829594614
  12  Al  8.054558651066  4.089277148792  3.968125273701  0.347111963483  -0.181297811923  0.229963324133  -0.000404708451  0.001109752415  -0.002019809724
  13  Al  0.007815547152  6.036708816107  5.981880400691  -0.086544328311  0.022761568745  0.294731044953  0.000047392888  -0.001295252734  -0.002565191223
  14  Al  1.998240066655  3.996439368173  6.109323907998  -0.053733308225  -0.026446783848  -0.257861063160  -0.001391874909  -0.002463623773  0.000408433144
  15  Al  2.113870991831  6.084326731021  3.938317543702  -0.377563469434  -0.174913213071  0.321749840726  0.001854949041  -0.000233771954  -0.003545935606
  16  Al  4.175522566260  0.132613363665  0.008160432596  -0.055784626869  -0.279764903726  0.189508112726  0.004416811345  0.004244515725  0.001180168541
  17  Al  3.918063326518  1.914976771299  2.005911341426  0.378714971057  0.215339074782  0.063090819055  -0.003379247357  -0.003313064846  -0.000645361337
  18  Al  6.158032231584  7.986459713114  1.898576977648  -0.281330253900  0.302500403858  0.306823217520  0.001794040213  -0.003644900763  -0.003718506815
  19  Al  6.104185679407  2.138380795769  7.941395255323  -0.169065325822  -0.503420350812  0.511788567752  0.000196081867  0.002541968651  -0.004736626175
  20  Al  4.080919481089  0.125432795601  4.060415543646  -0.201898326609  -0.396733979968  0.022418630223  0.000453037163  0.003154653371  0.000263921157
  21  Al  4.082020638532  1.991934266293  6.112880947257  -0.004744777183  0.196285912671  0.076888865470  0.001277891488  -0.000559047208  0.001931008384
  22  Al  6.077463778923  0.027183587364  6.096771273096  -0.060797403098  0.136498885239  0.098859677166  0.000051366883  0.001926537833  0.001215396208
  23  Al  6.167914003775  2.045184249494  4.029774273386  -0.213582068320  -0.000562147723  0.170174379549  0.002533925314  0.000701843095  0.000292381804
  24  Al  4.082920712178  4.030291956802  0.127695780973  0.085405671869  -0.027344165327  -0.550359041301  0.001649753037  -0.001017729824  0.002958866054
  25  Al  4.008290594175  6.197472971309  2.137550220317  0.270629096351  -0.166432276578  -0.361326199687  -0.000811792890  0.003821204482  0.003024614431
  26  Al  6.008484941493  4.149982912043  1.943160881382  0.223826364545  -0.209266367152  0.309247324061  -0.001980407600  0.003390963870  -0.002104531195
  27  Al  6.023986473698  6.124944221653  0.106580905213  -0.004409264567  -0.217254120276  -0.582810729877  -0.001792626773  0.001091638695  0.002439095079
  28  Al  4.074970478228  4.105063379105  4.133906124962  -0.081417138826  -0.009504229101  -0.217081738770  0.000658078696  0.001993936405  0.002057008300
  29  Al  3.957431389277  6.108800178135  6.235048350601  0.390958671288  -0.070601531208  -0.218970476121  -0.001810617001  0.000959665521  0.004903692127
  30  Al  6.105096522564  3.938797997527  6.098492628977  -0.094909766352  0.487108599597  -0.209724630781  0.000889671880  -0.002931388955  0.000469352319
  31  Al  6.175793320876  6.032170409461  4.027985389515  -0.263530360785  0.170510690012  -0.076114722438  0.002853434960  -0.001011414576  -0.001422366117


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)
  -72.509934391364  -0.201905967166  0.662186132209
  -0.201905967166  -73.837882659060  -1.724171125628
  0.662186132209  -1.724171125628  -65.724300727503
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.992301663978  8.065715662655  8.033661920951  0.332516649906  0.027632790574  -0.082602887776  -0.002698559192  -0.001108635421  -0.002912982666
  1  Al  8.055667182682  1.950471248315  1.914284383291  0.223484190721  0.209743106297  0.060541153335  -0.000682769776  -0.001969655971  -0.003843787994
  2  Al  1.960182416005  7.991143429089  1.974200037216  0.033164671395  0.430880151870  0.231549180709  -0.002048245556  -0.002993580330  -0.001012419139
  3  Al  1.951564217957  1.987712916820  8.064297119959  -0.016297873553  -0.046284567989  -0.063766121347  -0.002609628633  -0.001495705115  -0.002022742993
  4  Al  0.030410365255  8.015019688982  4.205428432541  0.165264165637  0.189708240553  -0.587587957562  0.001800555049  -0.002627992969  0.003699988978
  5  Al  0.014848407095  2.019213243636  6.134043534689  -0.012172386645  -0.081164492236  -0.246120206458  0.000482829635  -0.000514237286  0.001375024853
  6  Al  1.988764106356  8.097660511892  6.054330477066  0.067089128418  0.118184782949  0.153334710710  -0.001387797422  0.000792779275  -0.000277163933
  7  Al  2.013968591332  2.042332673186  4.121397109932  -0.047715284290  -0.128282121025  -0.133069508154  -0.000581363355  0.000126863191  0.002470954105
  8  Al  8.051332389601  4.144968755329  7.959556626614  -0.000233501977  -0.265482561879  0.354870692169  -0.001760862327  0.002462828440  -0.003942112364
  9  Al  0.033975067679  6.059965522806  2.021328931965  -0.117101469032  -0.011581872650  0.063660685866  0.000973724119  -0.000582518447  0.000295613786
  10  Al  2.085155498126  3.952525661223  2.021384078303  -0.260246592979  0.372124409443  0.307318227501  0.001392137692  -0.001656973670  0.000963353238
  11  Al  2.042647043369  6.112564296242  0.133875808315  -0.113994949855  -0.077183253004  -0.191764069042  0.000058501627  0.001229943379  0.004797818109
  12  Al  8.054371790146  4.089823982678  3.967125535954  0.348260345870  -0.189544005399  0.229539287755  -0.000342626676  0.001076845441  -0.001979180483
  13  Al  0.007835377728  6.036062135247  5.980610837003  -0.089332088822  0.022507448681  0.303643311219  0.000031678538  -0.001291496807  -0.002512268294
  14  Al  1.997541650048  3.995206237317  6.109516620954  -0.048443691709  -0.017922800622  -0.261052542369  -0.001401323803  -0.002468145380  0.000362129287
  15  Al  2.114781692407  6.084202013505  3.936558761091  -0.379506889096  -0.178017818866  0.337247593792  0.001787677315  -0.000265379953  -0.003487813159
  16  Al  4.177728723651  0.134723351841  0.008759053347  -0.057281469525  -0.290483812988  0.186679076515  0.004407696360  0.004194485500  0.001214068888
  17  Al  3.916390443608  1.913329680477  2.005591445057  0.382184630886  0.219960076514  0.066542404156  -0.003311976370  -0.003274890727  -0.000633916165
  18  Al  6.158916775955  7.984650581986  1.896731232634  -0.280268566568  0.318620765666  0.313084333332  0.001744231785  -0.003590187089  -0.003663918219
  19  Al  6.104276174070  2.139629418545  7.939049555970  -0.166425909103  -0.512090489643  0.533305089216  0.000166129909  0.002451744542  -0.004644251084
  20  Al  4.081137000045  0.126992563602  4.060548520985  -0.203791504138  -0.399847740913  0.027041593958  0.000416866624  0.003084141510  0.000268402776
  21  Al  4.082659443149  1.991663485554  6.113849995585  -0.006823088679  0.199308203642  0.072358020490  0.001277144856  -0.000523803184  0.001944787127
  22  Al  6.077486747595  0.028153064715  6.097383457684  -0.066392687675  0.128937088716  0.098937041432  0.000040006446  0.001950703975  0.001233354686
  23  Al  6.169171560103  2.045535184888  4.029928087258  -0.215436122766  0.000691262867  0.163461700461  0.002496137393  0.000702012619  0.000322277844
  24  Al  4.083749497913  4.029781813100  0.129150777459  0.083651775635  -0.023892152914  -0.560664973043  0.001665239723  -0.001022539920  0.002860196003
  25  Al  4.007896749674  6.199376346283  2.139046544342  0.279406056408  -0.167497993368  -0.370046689547  -0.000762797266  0.003792208080  0.002959903587
  26  Al  6.007504632677  4.151669228151  1.942122322161  0.231849446522  -0.222023665946  0.316065989171  -0.001940111643  0.003353165739  -0.002049095977
  27  Al  6.023089863672  6.125480390439  0.107774536769  -0.006707474180  -0.220992529126  -0.601910894526  -0.001794024223  0.001052701014  0.002333718767
  28  Al  4.075295914803  4.106060033198  4.134925039865  -0.081769463386  -0.011359652800  -0.215368713436  0.000643636397  0.001992519799  0.002018806152
  29  Al  3.956543455942  6.109276908323  6.237490681072  0.392744393809  -0.071116699563  -0.217928541952  -0.001740954081  0.000947210583  0.004865733005
  30  Al  6.105537165476  3.937353913845  6.098717956585  -0.099596837885  0.504056743539  -0.217870300775  0.000872481406  -0.002843429220  0.000431226930
  31  Al  6.177208417099  6.031672267774  4.027270725170  -0.270077603342  0.172413159620  -0.069426685800  0.002806367643  -0.000980981598  -0.001435699063


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)
  -72.152266929960  -0.199211486659  0.708622550720
  -0.199211486659  -73.530408488336  -1.725340217100
  0.708622550720  -1.725340217100  -65.307429543372
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.990967089861  8.065162515253  8.032201566857  0.339501249642  0.026056952393  -0.077704583955  -0.002639113921  -0.001104097890  -0.002928006461
  1  Al  8.055335747508  1.949495680524  1.912364970557  0.226390556974  0.212146529322  0.065890465504  -0.000642708361  -0.001932401841  -0.003833395149
  2  Al  1.959159655830  7.989665723953  1.973704118574  0.027690108216  0.446822880654  0.236959148846  -0.002043290193  -0.002915814702  -0.000970769859
  3  Al  1.950258522438  1.986962907844  8.063282779787  -0.019777214788  -0.047495491157  -0.053549697221  -0.002613472881  -0.001504444640  -0.002033711818
  4  Al  0.031318135380  8.013714018621  4.207252378551  0.166122374993  0.196281415088  -0.599289383738  0.001830611257  -0.002594104756  0.003594747567
  5  Al  0.015089306062  2.018952466881  6.134720126085  -0.010512194011  -0.082036244719  -0.254186109619  0.000480915891  -0.000528950998  0.001330618492
  6  Al  1.988073125304  8.098062230733  6.054198732889  0.071336583758  0.109457444951  0.154671753591  -0.001375749840  0.000813320747  -0.000249690789
  7  Al  2.013675742782  2.042390378039  4.122626783404  -0.051065589766  -0.129738085486  -0.142951472439  -0.000590333203  0.000103823681  0.002446860957
  8  Al  8.050451844970  4.146188446676  7.957601202367  0.003721836603  -0.267791137067  0.362917449075  -0.001760967956  0.002415732396  -0.003878869636
  9  Al  0.034456752319  6.059673711793  2.021479601764  -0.119072875581  -0.010529439713  0.062307278142  0.000952838648  -0.000584633542  0.000306946677
  10  Al  2.085840015499  3.951713711264  2.021879548303  -0.268943710965  0.367599672872  0.311822606935  0.001345152871  -0.001591227817  0.001018939051
  11  Al  2.042671202072  6.113175889834  0.136266426311  -0.115206274690  -0.081006969038  -0.206647206417  0.000038022614  0.001216091223  0.004763333770
  12  Al  8.054216023873  4.090353995858  3.966146090232  0.353741568154  -0.196840723143  0.228669488232  -0.000279941915  0.001042554109  -0.001938681317
  13  Al  0.007847225738  6.035417317351  5.979368128607  -0.088184895711  0.023730444234  0.309412718017  0.000015814253  -0.001287668906  -0.002458050634
  14  Al  1.996838740738  3.993971219070  6.109686037832  -0.047842594491  -0.008338181401  -0.267015171821  -0.001410265032  -0.002471078601  0.000315000610
  15  Al  2.115658671843  6.084061350668  3.934829725282  -0.386140412460  -0.180295188657  0.352277480591  0.001719644658  -0.000297479649  -0.003426989713
  16  Al  4.179930269270  0.136807855493  0.009374503316  -0.061878261263  -0.302863060453  0.184159227221  0.004398087403  0.004142428909  0.001247513416
  17  Al  3.914751345151  1.911701875631  2.005277424304  0.381051939480  0.223266334280  0.072678292230  -0.003244520685  -0.003236038362  -0.000621618750
  18  Al  6.159776466000  7.982869520609  1.894913053902  -0.274161642397  0.333485349966  0.322605987510  0.001695073749  -0.003532733547  -0.003607949896
  19  Al  6.104351809566  2.140832544010  7.936750997232  -0.159288853314  -0.521965553574  0.554561409411  0.000137047138  0.002359870913  -0.004548086131
  20  Al  4.081336348342  0.128516941764  4.060683946828  -0.208781088247  -0.404388856334  0.031238566091  0.000380077346  0.003012965990  0.000273677248
  21  Al  4.083297785315  1.991410462319  6.114825737317  -0.012745191238  0.200894799159  0.065114731794  0.001275698082  -0.000488145227  0.001957539700
  22  Al  6.077503785430  0.029134294282  6.098004629642  -0.067453445148  0.120001815468  0.095861885370  0.000028048748  0.001973424141  0.001251064104
  23  Al  6.170410144934  2.045886263172  4.030096551716  -0.211783284387  0.000185038737  0.156123125369  0.002458531563  0.000702257425  0.000350928344
  24  Al  4.084585954414  4.029269415339  0.130555981291  0.077617811410  -0.018733673139  -0.569898512306  0.001680053687  -0.001026593552  0.002759790491
  25  Al  4.007527795759  6.201265185110  2.140510128368  0.283894441350  -0.167478774662  -0.376270860238  -0.000712613428  0.003763156979  0.002893877151
  26  Al  6.006544826924  4.153336082841  1.941111782313  0.244184511250  -0.233255669743  0.325497123573  -0.001898009462  0.003313254282  -0.001992219674
  27  Al  6.022192446768  6.125996924255  0.108914627501  -0.004933427581  -0.223110028291  -0.619833814905  -0.001795490420  0.001013243405  0.002225035906
  28  Al  4.075614115596  4.107055901910  4.135924934159  -0.086493936745  -0.011780492582  -0.214169439830  0.000628744577  0.001990923288  0.001980879822
  29  Al  3.955690432570  6.109747390146  6.239914090946  0.390104656053  -0.070379038132  -0.219299265946  -0.001671372336  0.000934784042  0.004827794182
  30  Al  6.105969005286  3.935954564018  6.098923856558  -0.099680681169  0.521532505802  -0.228576884210  0.000854870876  -0.002752405480  0.000391412329
  31  Al  6.178599692753  6.031189426383  4.026549688286  -0.271412063933  0.176565424367  -0.063376334856  0.002758618466  -0.000950012020  -0.001447913404


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)
  -71.791491018843  -0.195091113913  0.758307455128
  -0.195091113913  -73.221608217211  -1.722664877045
  0.758307455128  -1.722664877045  -64.899129791203
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.989662545945  8.064611563044  8.030733909928  0.342964477616  0.025767501057  -0.073459584831  -0.002578752780  -0.001099739731  -0.002942252732
  1  Al  8.055024473320  1.948538843463  1.910450982170  0.225297679807  0.215780326181  0.067778676758  -0.000602483025  -0.001894622828  -0.003822400222
  2  Al  1.958139122629  7.988227609844  1.973229265845  0.026818838123  0.463682806512  0.239535590684  -0.002038926358  -0.002835133419  -0.000928408417
  3  Al  1.948950741004  1.986208469836  8.062263404972  -0.018749369804  -0.048034626958  -0.044169355432  -0.002617569678  -0.001513361432  -0.002042956386
  4  Al  0.032240979364  8.012425580185  4.209023185709  0.163958664214  0.203626149792  -0.609316207747  0.001860580766  -0.002558996071  0.003487582408
  5  Al  0.015329323735  2.018684291814  6.135374155254  -0.012780498802  -0.081765867577  -0.259132325017  0.000478953276  -0.000543728622  0.001285054412
  6  Al  1.987388354373  8.098473833906  6.054080785889  0.080291432606  0.101681218757  0.158767012461  -0.001362535969  0.000832401716  -0.000221728352
  7  Al  2.013378257210  2.042436497028  4.123843974702  -0.049035839227  -0.130444533936  -0.151615613571  -0.000599430629  0.000080586509  0.002421134085
  8  Al  8.049571418902  4.147384491488  7.955677750934  0.003313721331  -0.271590956899  0.370055430034  -0.001760778299  0.002368108706  -0.003814301965
  9  Al  0.034927907812  6.059380888354  2.021635879120  -0.124589933658  -0.010555332067  0.058334622179  0.000931290369  -0.000586664621  0.000317809927
  10  Al  2.086500653093  3.950934430928  2.022403018941  -0.272510895660  0.361605568433  0.313692235357  0.001297076746  -0.001526426200  0.001075120938
  11  Al  2.042685066041  6.113780389360  0.138639149506  -0.111724864469  -0.085195819246  -0.223074391331  0.000017742058  0.001201534375  0.004726100661
  12  Al  8.054091847795  4.090866538412  3.965186851617  0.354586389836  -0.204800918549  0.228666921312  -0.000216679757  0.001006903237  -0.001898274345
  13  Al  0.007851192005  6.034774464335  5.978152782539  -0.090630108899  0.023627534992  0.317749100641  -0.000000169753  -0.001283755900  -0.002402589068
  14  Al  1.996131382820  3.992735154866  6.109831622055  -0.042389097004  0.000294966025  -0.270276798576  -0.001418684588  -0.002472414332  0.000267039626
  15  Al  2.116501339744  6.083904533392  3.933131766039  -0.387804668138  -0.183306572689  0.367953315776  0.001650874869  -0.000330063718  -0.003363448566
  16  Al  4.182126817907  0.138865787204  0.010006568707  -0.063807391861  -0.313756793019  0.180508588312  0.004387947187  0.004088330192  0.001280429854
  17  Al  3.913145917868  1.910093637072  2.004969825339  0.383990899068  0.227696903496  0.076319148737  -0.003176927338  -0.003196524936  -0.000608451909
  18  Al  6.160611852345  7.981117842935  1.893123277117  -0.272833470533  0.349379747580  0.329063385008  0.001646589557  -0.003472559673  -0.003550584018
  19  Al  6.104413221422  2.141989293135  7.934501462753  -0.156496632351  -0.530186612009  0.575179886975  0.000108846773  0.002266386219  -0.004448210150
  20  Al  4.081517077984  0.130005534287  4.060822198660  -0.210501223808  -0.407151470051  0.036422811969  0.000342683911  0.002941157498  0.000279795178
  21  Al  4.083935143218  1.991175339566  6.115807538334  -0.015125876016  0.203629935038  0.060121057782  0.001273524425  -0.000452098240  0.001969225548
  22  Al  6.077514796386  0.030126491930  6.098634523737  -0.073198732714  0.112366047902  0.095317058615  0.000015479954  0.001994692693  0.001268469688
  23  Al  6.171630095496  2.046237443406  4.030279016148  -0.213530170562  0.001261531071  0.149857887540  0.002421117495  0.000702561990  0.000378373845
  24  Al  4.085429554217  4.028755217948  0.131910572249  0.075358679159  -0.015103449051  -0.580202616386  0.001694150610  -0.001029875104  0.002657647911
  25  Al  4.007184135136  6.203139509125  2.141940426001  0.292264988094  -0.168225987182  -0.384582914379  -0.000661276494  0.003734080406  0.002826570858
  26  Al  6.005606620257  4.154982487595  1.940130099383  0.252088280118  -0.245713722873  0.332296693482  -0.001854111018  0.003271256076  -0.001933903050
  27  Al  6.021294370454  6.126493635423  0.109999576141  -0.007447422945  -0.226632119218  -0.638830592599  -0.001797045410  0.000973284526  0.002113053189
  28  Al  4.075924660360  4.108050959587  4.136905922773  -0.087117073046  -0.013639722850  -0.211700437804  0.000613378801  0.001989147226  0.001943296820
  29  Al  3.954872081003  6.110211693821  6.242318482776  0.391204121237  -0.070724057080  -0.218201701377  -0.001601932110  0.000922401180  0.004789881600
  30  Al  6.106392037684  3.934601504077  6.099109369524  -0.104287578512  0.537916676759  -0.236769206381  0.000836847264  -0.002658366300  0.000349903133
  31  Al  6.179967039863  6.030722254274  4.025822809510  -0.277577323198  0.178511647659  -0.056287678187  0.002710221340  -0.000918501422  -0.001458973915


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)
  -71.433761984877  -0.192250199067  0.808422664734
  -0.192250199067  -72.911052843399  -1.717133510180
  0.808422664734  -1.717133510180  -64.493175021828
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.988388332935  8.064062773754  8.029259309395  0.348065696431  0.024594643644  -0.068156826595  -0.002517643431  -0.001095525275  -0.002955686625
  1  Al  8.054733263514  1.947601054650  1.908542564190  0.226216554423  0.218688139652  0.071580726525  -0.000562270660  -0.001856273497  -0.003810942623
  2  Al  1.957120726195  7.986830585977  1.972775708665  0.022938831981  0.479780245222  0.243505975321  -0.002035012315  -0.002751521010  -0.000885462654
  3  Al  1.947640948552  1.985449543979  8.061239820117  -0.020465766169  -0.048667226156  -0.033606719359  -0.002621762585  -0.001522404638  -0.002050446339
  4  Al  0.033178719137  8.011155018436  4.210739966566  0.162959044885  0.210423237314  -0.620338444108  0.001890298919  -0.002522646711  0.003378552428
  5  Al  0.015568260108  2.018408737384  6.136005182562  -0.013307177628  -0.081781230374  -0.265702606445  0.000476746385  -0.000558494186  0.001238465410
  6  Al  1.986710587144  8.098894633787  6.053977004181  0.086293526511  0.093048875664  0.161290126137  -0.001347998834  0.000850031112  -0.000193169838
  7  Al  2.013076311190  2.042470964678  4.125047921382  -0.050330601047  -0.131298094656  -0.161353774454  -0.000608472338  0.000057204939  0.002393786240
  8  Al  8.048691063841  4.148556559189  7.953786894269  0.005329260707  -0.274355904343  0.377899915319  -0.001760467404  0.002319916168  -0.003748426979
  9  Al  0.035388044185  6.059087046229  2.021797412202  -0.128220976080  -0.010082169261  0.055617883839  0.000908930549  -0.000588663737  0.000328081919
  10  Al  2.087137094330  3.950187282610  2.022954670969  -0.279084941913  0.356238323211  0.316584286586  0.001248098175  -0.001462643362  0.001131756711
  11  Al  2.042688944158  6.114377426141  0.140992534570  -0.111237750342  -0.089407438709  -0.238233870066  -0.000002188632  0.001186238082  0.004686094302
  12  Al  8.053999343768  4.091360900714  3.964247812835  0.357706074845  -0.212247089493  0.227717261455  -0.000153049707  0.000969878624  -0.001857966463
  13  Al  0.007847055984  6.034133559387  5.976965535676  -0.091259520439  0.024257400732  0.324624647255  -0.000016432759  -0.001279811206  -0.002345783935
  14  Al  1.995420053870  3.991498800763  6.109953077887  -0.040072581662  0.009608983480  -0.274846935386  -0.001426429729  -0.002472177369  0.000218369535
  15  Al  2.117309549366  6.083731286420  3.931466271309  -0.392487455514  -0.186027623973  0.382638774570  0.001581541108  -0.000363172895  -0.003297219558
  16  Al  4.184318223511  0.140896192258  0.010654935228  -0.067129647943  -0.325393848006  0.177726863814  0.004377390995  0.004032255442  0.001312795978
  17  Al  3.911574412706  1.908505345557  2.004668971417  0.384477021175  0.231729401444  0.081288254932  -0.003109051104  -0.003156285609  -0.000594519658
  18  Al  6.161423058204  7.979396955353  1.891362464176  -0.268077608238  0.364642010948  0.337115193461  0.001598658006  -0.003409629083  -0.003491951608
  19  Al  6.104460656514  2.143098933872  7.932302779931  -0.150572546139  -0.538883040934  0.596270199026  0.000081419917  0.002171393986  -0.004344636298
  20  Al  4.081679032804  0.131458103991  4.060963742456  -0.213701364321  -0.410724900436  0.040700621805  0.000304845362  0.002868801751  0.000286764269
  21  Al  4.084571311787  1.990958363351  6.116794966031  -0.019524210210  0.205708058443  0.053820254651  0.001270760390  -0.000415617453  0.001979929736
  22  Al  6.077519265409  0.031128990182  6.099273101370  -0.075723041056  0.103643063564  0.093154715570  0.000002168748  0.002014529561  0.001285653909
  23  Al  6.172831266322  2.046588826292  4.030474926169  -0.211649938237  0.001437602560  0.142497674300  0.002383736756  0.000702987618  0.000404612947
  24  Al  4.086280107747  4.028239538579  0.133213633474  0.070833832776  -0.010616607792  -0.589075914549  0.001707666257  -0.001032444919  0.002553798522
  25  Al  4.006866518202  6.204999271518  2.143336703770  0.298269850594  -0.168641299969  -0.391657247259  -0.000608649559  0.003704940232  0.002757907794
  26  Al  6.004690712925  4.156607344175  1.939177876154  0.262706187841  -0.257301949734  0.340354154176  -0.001808569020  0.003227138976  -0.001874267862
  27  Al  6.020395398469  6.126970210345  0.111027684087  -0.006926838024  -0.229367252235  -0.656684472354  -0.001798802027  0.000932768408  0.001997773990
  28  Al  4.076227495383  4.109045052334  4.137868234104  -0.089953426532  -0.014792769596  -0.210364275802  0.000597707625  0.001987126834  0.001906069291
  29  Al  3.954088497885  6.110669792809  6.244703980246  0.390118239637  -0.070532254161  -0.218373929523  -0.001532493395  0.000910013253  0.004752103344
  30  Al  6.106805853896  3.933296193444  6.099273760254  -0.105785990052  0.554715969279  -0.246039490804  0.000818283865  -0.002561370097  0.000306826438
  31  Al  6.181309918449  6.030270923485  4.025090712025  -0.280402740258  0.181604744669  -0.049953022036  0.002661042641  -0.000886543941  -0.001468855734


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)
  -71.074391786074  -0.187965564451  0.862538095792
  -0.187965564451  -72.600139999757  -1.707577900460
  0.862538095792  -1.707577900460  -64.097328780503
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.987144898341  8.063516035954  8.027778218404  0.349834676636  0.024776687644  -0.063761352241  -0.002455936572  -0.001091412724  -0.002968295974
  1  Al  8.054462201728  1.946682566890  1.906640033231  0.223385639681  0.223000936009  0.072479600596  -0.000522225854  -0.001817292724  -0.003799111881
  2  Al  1.956104106941  7.985476084274  1.972343801724  0.023797155825  0.496572815377  0.245216416891  -0.002031394230  -0.002664981645  -0.000842009084
  3  Al  1.946328974074  1.984686062675  8.060212955235  -0.017408276996  -0.048467144219  -0.024303454432  -0.002625871285  -0.001531509025  -0.002056189102
  4  Al  0.034131281415  8.009902929293  4.212401743737  0.159511779847  0.217996408987  -0.629572815645  0.001919652389  -0.002485035971  0.003267726499
  5  Al  0.015806070910  2.018125796702  6.136612622716  -0.017382392818  -0.080675913013  -0.269645183993  0.000474133724  -0.000573173632  0.001190940237
  6  Al  1.986040353305  8.099323866426  6.053887615730  0.096901089210  0.085646494257  0.166194702926  -0.001331990468  0.000866242767  -0.000163942068
  7  Al  2.012769783863  2.042493702062  4.126237764909  -0.046533078594  -0.131467465710  -0.169648612284  -0.000617300727  0.000033726373  0.002364850246
  8  Al  8.047810948580  4.149704411500  7.951929317743  0.003655219916  -0.278620489038  0.384681977613  -0.001760149108  0.002271112738  -0.003681275922
  9  Al  0.035836839868  6.058792223642  2.021963961583  -0.134969335801  -0.010725733302  0.050722970739  0.000885648662  -0.000590686389  0.000337680430
  10  Al  2.087748753336  3.949471785142  2.023534777528  -0.280581327676  0.349564575287  0.316999028581  0.001198401298  -0.001399939263  0.001188718307
  11  Al  2.042682877405  6.114966629408  0.143325251575  -0.105998593555  -0.094327870931  -0.255023104718  -0.000021612716  0.001170136805  0.004643282390
  12  Al  8.053938797834  4.091836418644  3.963328882075  0.356581971148  -0.220415119048  0.227868282540  -0.000089226134  0.000931460751  -0.001817743648
  13  Al  0.007834759219  6.033494651008  5.975806994716  -0.094847881568  0.023412086940  0.333587074981  -0.000033077473  -0.001275901592  -0.002287578359
  14  Al  1.994704950727  3.990262973400  6.110049991952  -0.033029517357  0.017962018815  -0.276841678587  -0.001433358907  -0.002470393301  0.000169102256
  15  Al  2.118082883473  6.083541359896  3.929834541017  -0.392260517072  -0.189372302667  0.397988382063  0.001511811149  -0.000396838114  -0.003228330731
  16  Al  4.186504216156  0.142898049328  0.011319366861  -0.068229476463  -0.335551900740  0.173548196416  0.004366494303  0.003974270047  0.001344565779
  17  Al  3.910036861612  1.906937346233  2.004375304695  0.388591348603  0.236938257080  0.084007340473  -0.003040786280  -0.003115250797  -0.000579904085
  18  Al  6.162210513000  7.977708208202  1.889631319722  -0.268089752898  0.380665809184  0.342315597543  0.001551158789  -0.003343929189  -0.003432164575
  19  Al  6.104494641473  2.144160690720  7.930156819255  -0.148999742438  -0.546038912066  0.616242733822  0.000054657068  0.002074987457  -0.004237420382
  20  Al  4.081821923851  0.132874340792  4.061108963404  -0.214084211491  -0.412649593013  0.046036514548  0.000266680295  0.002795972778  0.000294598593
  21  Al  4.085205905714  1.990759721424  6.117787471352  -0.020648094608  0.208926489067  0.049569479469  0.001267518618  -0.000378658761  0.001989719478
  22  Al  6.077516965138  0.032141024830  6.099920179777  -0.082995949968  0.096625023824  0.093306217452  -0.000012021996  0.002032990898  0.001302679914
  23  Al  6.174013836203  2.046940432189  4.030683629766  -0.215012621919  0.003507350848  0.136554278847  0.002346244850  0.000703623433  0.000429674942
  24  Al  4.087137223305  4.027722771318  0.134464375004  0.069407213738  -0.007596065669  -0.599139111342  0.001720675929  -0.001034357792  0.002448261735
  25  Al  4.006575484567  6.206844455497  2.144698338365  0.307754347490  -0.169686311268  -0.400454572062  -0.000554631566  0.003675710509  0.002687843519
  26  Al  6.003798048240  4.158209631920  1.938255828414  0.268937381532  -0.270224791413  0.346208364101  -0.001761532116  0.003180860992  -0.001813397485
  27  Al  6.019495565446  6.127426405377  0.111997353442  -0.010799337027  -0.233321307031  -0.675313693792  -0.001800882539  0.000891655602  0.001879228112
  28  Al  4.076522368976  4.110038089715  4.138811995223  -0.088882243627  -0.017365208848  -0.207525551317  0.000581882289  0.001984799002  0.001869230169
  29  Al  3.953339585068  6.111121708583  6.247070593995  0.392259903234  -0.071536766133  -0.216345092953  -0.001462961815  0.000897561330  0.004714543599
  30  Al  6.107210322905  3.932040129735  6.099416196471  -0.111796328915  0.569976762356  -0.253321883454  0.000799054894  -0.002461515035  0.000262262200
  31  Al  6.182628086914  6.029835708864  4.024353951341  -0.288069046069  0.182471178434  -0.042631052779  0.002610947725  -0.000854235527  -0.001477538519


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)
  -70.721658637989  -0.184696456607  0.917011535530
  -0.184696456607  -72.288999308060  -1.695395524559
  0.917011535530  -1.695395524559  -63.703232914954
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.985932392171  8.062971359168  8.026291008355  0.354668305375  0.023455088119  -0.058530657017  -0.002393655279  -0.001087415720  -0.002980088485
  1  Al  8.054211036769  1.945783758824  1.904743445824  0.223902282132  0.225637197769  0.076470280009  -0.000482383755  -0.001777704286  -0.003786892194
  2  Al  1.955089328497  7.984165599783  1.971933698144  0.019973266059  0.511828059232  0.249257275955  -0.002028067862  -0.002575588558  -0.000798040440
  3  Al  1.945015072785  1.983918032340  8.059183627505  -0.018932761360  -0.049219411041  -0.014189154270  -0.002629879727  -0.001540686149  -0.002060225234
  4  Al  0.035098374803  8.008669978223  4.214007698643  0.157941760169  0.224386878386  -0.639686985231  0.001948591604  -0.002446199830  0.003155183647
  5  Al  0.016042394642  2.017835562774  6.137196124832  -0.018200516123  -0.080837885586  -0.276351862529  0.000471089238  -0.000587780658  0.001142465640
  6  Al  1.985378594403  8.099760878032  6.053813061833  0.102704881575  0.077098087888  0.168443229114  -0.001314528289  0.000881044562  -0.000134068696
  7  Al  2.012459009409  2.042504691108  4.127412775664  -0.047786136269  -0.132432328699  -0.178685603914  -0.000625912484  0.000010140220  0.002334388510
  8  Al  8.046930911728  4.150827675804  7.950105612064  0.005733767537  -0.281227073161  0.391987356916  -0.001759818452  0.002221711997  -0.003612896295
  9  Al  0.036273694358  6.058496358832  2.022135093209  -0.138668211981  -0.009933872331  0.048204797307  0.000861438113  -0.000592704372  0.000346623413
  10  Al  2.088335497673  3.948787340957  2.024143391305  -0.286821570438  0.344289263366  0.319596399889  0.001148014910  -0.001338304861  0.001245981447
  11  Al  2.042667331405  6.115547564943  0.145635824885  -0.105479925681  -0.098404064606  -0.270011490880  -0.000040527756  0.001153242459  0.004597680121
  12  Al  8.053910117482  4.092292363054  3.962430066084  0.358959944230  -0.227457236559  0.227151407220  -0.000025273640  0.000891684701  -0.001777584751
  13  Al  0.007813978454  6.032857655618  5.974677953413  -0.095451369947  0.024409059054  0.339809743424  -0.000050102140  -0.001271994636  -0.002228029671
  14  Al  1.993986692516  3.989028403245  6.110122180432  -0.030845731577  0.027142323390  -0.281357049663  -0.001439484508  -0.002467074573  0.000119241278
  15  Al  2.118821363096  6.083334447628  3.928237935068  -0.396781142182  -0.191716803767  0.412238295416  0.001441698120  -0.000431026909  -0.003156819723
  16  Al  4.188684725267  0.144870469088  0.011999503302  -0.071679679840  -0.347099581070  0.170288113407  0.004355246991  0.003914381478  0.001375697689
  17  Al  3.908533621236  1.905390089443  2.004089066342  0.388789186292  0.240632957112  0.089025144772  -0.002972157905  -0.003073450607  -0.000564600486
  18  Al  6.162974219641  7.976053020456  1.887930293742  -0.262880175625  0.395372957886  0.350431119767  0.001504131936  -0.003275508420  -0.003371216652
  19  Al  6.104515313675  2.145173924872  7.928065352316  -0.142808746896  -0.554357034302  0.636278458310  0.000028581584  0.001977198315  -0.004126654493
  20  Al  4.081945713554  0.134254081541  4.061258341552  -0.216865922026  -0.416014346849  0.050563849533  0.000228225122  0.002722688262  0.000303321024
  21  Al  4.085838832569  1.990579703944  6.118784688906  -0.024979227823  0.210586357758  0.042968616599  0.001263805395  -0.000341258594  0.001998568729
  22  Al  6.077507243392  0.033161984550  6.100575783507  -0.085265930864  0.088066860077  0.090518645297  -0.000027070163  0.002050092345  0.001319492715
  23  Al  6.175177515176  2.047292450926  4.030904601845  -0.212848740715  0.003456714312  0.129695570444  0.002308667026  0.000704449515  0.000453605182
  24  Al  4.088000786613  4.027205179021  0.135661899389  0.064654486877  -0.003175433533  -0.607594958924  0.001733160125  -0.001035619917  0.002341072559
  25  Al  4.006311885689  6.208674988302  2.146024551877  0.313479304708  -0.169701778160  -0.406921881175  -0.000499245939  0.003646427619  0.002616431108
  26  Al  6.002929177803  4.159788210596  1.937364475574  0.279516712197  -0.281232590820  0.354323875827  -0.001713002779  0.003132473432  -0.001751285476
  27  Al  6.018594512857  6.127861867469  0.112906915407  -0.010009162292  -0.235611073244  -0.692453621889  -0.001803263687  0.000849985019  0.001757476075
  28  Al  4.076809378665  4.111029854723  4.139737467464  -0.091492692417  -0.018387873348  -0.205839022721  0.000565922755  0.001982176013  0.001832810639
  29  Al  3.952625533573  6.111567355671  6.249418531892  0.390726570908  -0.071004296327  -0.216659473484  -0.001393376072  0.000885075871  0.004677190552
  30  Al  6.107604910154  3.930834674208  6.099536022901  -0.112899125173  0.585833950722  -0.262627370991  0.000779195340  -0.002358882868  0.000216205778
  31  Al  6.183920870631  6.029416686500  4.023613170985  -0.290353698831  0.185616928333  -0.036343046519  0.002559984375  -0.000821570850  -0.001485026916


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)
  -70.367801688480  -0.180591857693  0.974260895809
  -0.180591857693  -71.977638448446  -1.679039207106
  0.974260895809  -1.679039207106  -63.318100607212
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.984751238858  8.062428618324  8.024798124685  0.358293903141  0.023044122109  -0.053521519234  -0.002330632607  -0.001083587632  -0.002991010532
  1  Al  8.053979817126  1.944904859481  1.902853134385  0.222780412153  0.229361953120  0.078430143092  -0.000442590711  -0.001737560195  -0.003774189718
  2  Al  1.954076035516  7.982900491193  1.971545759883  0.019421018995  0.527767700540  0.251593656168  -0.002025160116  -0.002483415741  -0.000753499713
  3  Al  1.943699089728  1.983145373820  8.058152726383  -0.017125148699  -0.049437395872  -0.004264684590  -0.002633900768  -0.001549974260  -0.002062499606
  4  Al  0.036079876441  8.007456725166  4.215556932926  0.155705680966  0.231339319132  -0.648943414531  0.001977226286  -0.002406193322  0.003040919549
  5  Al  0.016277160976  2.017538015011  6.137755090363  -0.020670502645  -0.079933706378  -0.281090181897  0.000467756430  -0.000602333855  0.001092969312
  6  Al  1.984725822707  0.000208664792  6.053753546799  0.111817656963  0.069128363181  0.172426210656  -0.001295745561  0.000894386109  -0.000103631172
  7  Al  2.012143870280  2.042503842300  4.128572157519  -0.045444110301  -0.132761138982  -0.187295800740  -0.000634438164  -0.000013568446  0.002302372466
  8  Al  8.046051127037  4.151926127400  7.948316415103  0.006066607906  -0.284838467856  0.398844746587  -0.001759296665  0.002171771687  -0.003543280539
  9  Al  0.036698279494  6.058199518228  2.022310585605  -0.143520426860  -0.010069752887  0.044082346633  0.000836467847  -0.000594672577  0.000354980128
  10  Al  2.088896770262  3.948133477930  2.024780761163  -0.289526837799  0.337841669966  0.320497186770  0.001096829789  -0.001277719077  0.001303591724
  11  Al  2.042642349578  6.116119873892  0.147922939771  -0.101746710366  -0.102864059070  -0.285995801946  -0.000059068790  0.001135595970  0.004549359195
  12  Al  8.053913524150  4.092728104911  3.961551294202  0.359457340984  -0.235040722357  0.226836081756  0.000038954534  0.000850601607  -0.001737531080
  13  Al  0.007784656991  6.032222654138  5.973578961132  -0.097239618321  0.024256161400  0.347640225544  -0.000067346400  -0.001268028817  -0.002167237931
  14  Al  1.993265463691  3.987795894494  6.110169233440  -0.025429234008  0.035836168668  -0.284164073979  -0.001444952462  -0.002462191135  0.000068712484
  15  Al  2.119524584126  6.083110332229  3.926677715750  -0.398036247536  -0.194633944697  0.426704732283  0.001371068038  -0.000465702307  -0.003082764010
  16  Al  4.190859470797  0.146812437682  0.012695066967  -0.074704518233  -0.357539142239  0.166381974048  0.004343478218  0.003852563896  0.001406217277
  17  Al  3.907064698486  1.903863890228  2.003810703218  0.390565715768  0.245389038225  0.092539058146  -0.002903374182  -0.003030925351  -0.000548537393
  18  Al  6.163714647578  7.974432694028  1.886260097148  -0.260885433407  0.410756875821  0.356487291893  0.001457756323  -0.003204422602  -0.003309030629
  19  Al  6.104523223108  2.146137892508  7.926030157514  -0.139458232743  -0.561350427699  0.655996257704  0.000003351913  0.001878038780  -0.004012358954
  20  Al  4.082050149374  0.135597033836  4.061412284960  -0.218768162271  -0.418105869990  0.055465618554  0.000189342943  0.002648932206  0.000312893357
  21  Al  4.086469713329  1.990418462230  6.119786043590  -0.028243041072  0.213078810122  0.037789155903  0.001259429634  -0.000303480847  0.002006395196
  22  Al  6.077489894927  0.034191120775  6.101239674809  -0.090801400769  0.080341689500  0.089386859032  -0.000042821072  0.002065771544  0.001335978480
  23  Al  6.176322507284  2.047644882941  4.031137235744  -0.214156190748  0.004797402367  0.123230791657  0.002271186891  0.000705401026  0.000476357549
  24  Al  4.088870386474  4.026687149583  0.136805451675  0.061201226682  0.000249750523  -0.616379052346  0.001744938501  -0.001036195359  0.002232342862
  25  Al  4.006076237752  6.210490889521  2.147314774069  0.320483027383  -0.170275412771  -0.414733124452  -0.000442712774  0.003617134309  0.002543757402
  26  Al  6.002085042452  4.161342110854  1.936504539862  0.286940248626  -0.293318706691  0.360690326320  -0.001662873304  0.003082050395  -0.001687884657
  27  Al  6.017692298592  6.128276391889  0.113754832603  -0.012232064874  -0.238976396263  -0.710013494342  -0.001805798827  0.000807808328  0.001632609915
  28  Al  4.077088292725  4.112020269210  4.140644809081  -0.092562362177  -0.020648404137  -0.203548017008  0.000549637349  0.001979286370  0.001796761562
  29  Al  3.951946206548  6.112006786009  6.251747792762  0.390642419707  -0.071369823934  -0.215398226894  -0.001323933807  0.000872614002  0.004639976425
  30  Al  6.107989519614  3.929681242724  6.099632402629  -0.117014546371  0.600879516248  -0.270297310150  0.000758874211  -0.002253490144  0.000168620915
  31  Al  6.185188075785  6.029014136571  4.022868921818  -0.295810470073  0.187094830900  -0.029377960638  0.002508349501  -0.000788494560  -0.001491353270


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)
  -70.021866519990  -0.177570086083  1.031757515100
  -0.177570086083  -71.666470595160  -1.659755091081
  1.031757515100  -1.659755091081  -62.936026181427
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.983601755356  8.061887769578  8.023299992422  0.364426241957  0.021079795532  -0.047928609158  -0.002266751336  -0.001079986292  -0.003001030925
  1  Al  8.053768445259  1.944046195492  1.900969249291  0.224565831287  0.231652160811  0.083522790489  -0.000402732341  -0.001696890764  -0.003760906874
  2  Al  1.953064164724  7.981682179558  1.971180197070  0.014905147189  0.541832189015  0.256464016239  -0.002022733690  -0.002388567187  -0.000708311599
  3  Al  1.942381167262  1.982368055281  8.057121124174  -0.019084770474  -0.050168676096  0.006040382056  -0.002637974448  -0.001559372374  -0.002062995487
  4  Al  0.037075604659  8.006263780556  4.217048623682  0.155198570363  0.236990541675  -0.658881756527  0.002005652950  -0.002365081993  0.002924947364
  5  Al  0.016510151916  2.017233227831  6.138289096118  -0.020225075783  -0.080109023783  -0.288614962102  0.000464248277  -0.000616835042  0.001042376824
  6  Al  1.984082846502  0.000659018013  6.053709430474  0.116721494183  0.060061596314  0.173673586388  -0.001275722326  0.000906221338  -0.000072718026
  7  Al  2.011824570100  2.042491122638  4.129715152287  -0.047632626586  -0.133818942364  -0.196357174487  -0.000642961868  -0.000037408645  0.002268799451
  8  Al  8.045171611886  4.152999451412  7.946562325127  0.010033726585  -0.286689592318  0.406015396402  -0.001758415490  0.002121358625  -0.003472439736
  9  Al  0.037110163716  6.057901685181  2.022490073978  -0.145690425040  -0.009019194872  0.042370229176  0.000810873956  -0.000596568143  0.000362822840
  10  Al  2.089432329443  3.947509619573  2.025446985383  -0.296272366293  0.333068091606  0.323318396644  0.001044799498  -0.001218136158  0.001361571382
  11  Al  2.042608262509  6.116683162964  0.150185192295  -0.101971946826  -0.106995970023  -0.300318524884  -0.000077302764  0.001117192070  0.004498378703
  12  Al  8.053949072087  4.093142966197  3.960692531867  0.363008295562  -0.241317642960  0.225917564113  0.000103565174  0.000808278664  -0.001697600238
  13  Al  0.007746631933  6.031589624511  5.972510711568  -0.096221612822  0.025604189605  0.352654937419  -0.000084665847  -0.001263973104  -0.002105309896
  14  Al  1.992541737445  3.986566207665  6.110190893039  -0.024292088439  0.045478740760  -0.289228160691  -0.001449856865  -0.002455701991  0.000017465213
  15  Al  2.120192433610  6.082868744481  3.925155165491  -0.403226348119  -0.196592706605  0.440199001892  0.001299859428  -0.000500831119  -0.003006229493
  16  Al  4.193028211329  0.148723039941  0.013405723119  -0.079827382614  -0.369520950495  0.163083143469  0.004331039612  0.003788777647  0.001436122293
  17  Al  3.905630241811  1.902359158619  2.003540527959  0.388833844682  0.249015054886  0.098270721096  -0.002834606791  -0.002987680925  -0.000531650508
  18  Al  6.164431978596  7.972848592068  1.884621257138  -0.254270517757  0.424468012622  0.365339236482  0.001412157063  -0.003130759221  -0.003245539810
  19  Al  6.104518665594  2.147051967042  7.924052986117  -0.132166210474  -0.569289063287  0.675364074040  -0.000020933951  0.001777540302  -0.003894590747
  20  Al  4.082135056839  0.136903018530  4.061571235474  -0.222838157008  -0.421906883793  0.059765754928  0.000149917418  0.002574664407  0.000323295928
  21  Al  4.087098264478  1.990276222549  6.120791087725  -0.034205479499  0.214240136951  0.030313040869  0.001254245638  -0.000265369036  0.002013121306
  22  Al  6.077464422243  0.035227759824  6.101911764400  -0.092001783805  0.071274882888  0.085423450969  -0.000059179760  0.002079983824  0.001352032954
  23  Al  6.177448706169  2.047997853226  4.031380960255  -0.210726393119  0.004507775243  0.116206614108  0.002233917489  0.000706456935  0.000497917716
  24  Al  4.089745728265  4.026168981791  0.137894246282  0.054505124098  0.005179331595  -0.623686403312  0.001755838083  -0.001036038822  0.002122172671
  25  Al  4.005869172116  6.212292129142  2.148568313872  0.324154001935  -0.170069762923  -0.420039673642  -0.000385213957  0.003587850917  0.002469924744
  26  Al  6.001266301496  4.162870266557  1.935676587870  0.297980411010  -0.303368497080  0.369427012379  -0.001611101233  0.003029676692  -0.001623137963
  27  Al  6.016788710769  6.128669677256  0.114539528270  -0.010492449163  -0.240794042145  -0.725948813824  -0.001808403883  0.000765166716  0.001504733515
  28  Al  4.077359017007  4.113009144667  4.141534232271  -0.096632482153  -0.021069864373  -0.202200178232  0.000532895210  0.001976184428  0.001761052449
  29  Al  3.951301597375  6.112439971249  6.254058516695  0.387133653434  -0.070540027139  -0.216552836137  -0.001254810252  0.000860202301  0.004602826875
  30  Al  6.108363785735  3.928581179994  6.099704644120  -0.116916049847  0.616369851091  -0.280154889919  0.000738198500  -0.002145366735  0.000119456507
  31  Al  6.186429224661  6.028628190516  4.022121815022  -0.296772176464  0.190448489661  -0.023457366244  0.002456160704  -0.000754987316  -0.001496550835


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)
  -69.675241961475  -0.173231994475  1.094222622887
  -0.173231994475  -71.356099116145  -1.637092885017
  1.094222622887  -1.637092885017  -62.566254019974
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.982484483318  8.061348630029  8.021797088194  0.366055659603  0.021043687139  -0.043719093694  -0.002202188701  -0.001076578561  -0.003010222314
  1  Al  8.053577084037  1.943207965569  1.899092220536  0.221691154505  0.234760631872  0.085079747353  -0.000362964354  -0.001655750406  -0.003747080560
  2  Al  1.952053298075  7.980511919575  1.970837446970  0.015039570047  0.557423240337  0.258327267543  -0.002020728043  -0.002291071389  -0.000662517161
  3  Al  1.941061110387  1.981585998554  8.056089727069  -0.016333983661  -0.050447583726  0.014681809687  -0.002642017578  -0.001568886841  -0.002061827839
  4  Al  0.038085533111  8.005091638787  4.218481885714  0.150908036066  0.244093900883  -0.666385422153  0.002033689421  -0.002322851715  0.002807421040
  5  Al  0.016741410114  2.016921178825  6.138797469120  -0.024478913634  -0.079626734376  -0.292965970441  0.000460405299  -0.000631322580  0.000990721395
  6  Al  1.983450098016  0.001114887811  6.053680828638  0.126452252886  0.052616520215  0.177828946943  -0.001254402840  0.000916597368  -0.000041312829
  7  Al  2.011500907219  2.042466433586  4.130840961178  -0.044532347525  -0.134566747465  -0.203346717445  -0.000651416290  -0.000061418587  0.002233813778
  8  Al  8.044292708286  4.154047489959  7.944843968926  0.009301947893  -0.290607651515  0.411559823568  -0.001757270651  0.002070444597  -0.003400490176
  9  Al  0.037509154954  6.057602948979  2.022673409118  -0.152019861522  -0.008554369726  0.037913583370  0.000784523728  -0.000598337617  0.000370121870
  10  Al  2.089941571698  3.946915339513  2.026142335070  -0.297823631210  0.326182791595  0.323143373365  0.000992025849  -0.001159594303  0.001419826541
  11  Al  2.042565046671  6.117237068035  0.152421326817  -0.097309042610  -0.111264545182  -0.317066791081  -0.000095147008  0.001098047529  0.004444669742
  12  Al  8.054017089516  4.093536385074  3.959853690815  0.361455086609  -0.248962814214  0.226647198295  0.000168376953  0.000764709049  -0.001657698328
  13  Al  0.007699990987  6.030958678690  5.971473647331  -0.099353146995  0.026119046993  0.360446265275  -0.000102181147  -0.001259768128  -0.002042247723
  14  Al  1.991815604137  3.985340187948  6.110186698685  -0.018127322913  0.053571914930  -0.291193168309  -0.001454131328  -0.002447661094  -0.000034426949
  15  Al  2.120824445965  6.082609500181  3.923671480681  -0.403393261972  -0.198835878736  0.455115166336  0.001228167847  -0.000536354434  -0.002927174111
  16  Al  4.195190518442  0.150601222355  0.014131191923  -0.081523310737  -0.379485286264  0.157725827497  0.004318051083  0.003723064203  0.001465284200
  17  Al  3.904230086437  1.900876203762  2.003279051724  0.391855412493  0.253306185579  0.101269526578  -0.002765743511  -0.002943758567  -0.000513985342
  18  Al  6.165126807260  7.971301929001  1.883014551319  -0.252607432630  0.439677843001  0.370769495869  0.001367303969  -0.003054532093  -0.003180799155
  19  Al  6.104502289118  2.147915436107  7.922135559543  -0.129299496750  -0.576356445881  0.693010659590  -0.000044319675  0.001675693619  -0.003773532053
  20  Al  4.082200067070  0.138171703018  4.061735581487  -0.222773338484  -0.423356714970  0.065919626257  0.000110123176  0.002499940920  0.000334641378
  21  Al  4.087723961293  1.990153092702  6.121799168630  -0.035984166652  0.216027161358  0.025428960276  0.001248386270  -0.000226985131  0.002018774083
  22  Al  6.077430715058  0.036271108457  6.102591710271  -0.098087092573  0.064176179629  0.084185475971  -0.000076196079  0.002092785939  0.001367647486
  23  Al  6.178556428916  2.048351341187  4.031635154384  -0.212654439229  0.005138558564  0.111176908279  0.002196803174  0.000707554101  0.000518414433
  24  Al  4.090626227814  4.025651108839  0.138927628282  0.051902016694  0.008120516727  -0.633065740900  0.001765935593  -0.001035193739  0.002010505934
  25  Al  4.005691023080  6.214078747092  2.149784703393  0.332291000675  -0.169947205114  -0.427836839617  -0.000326646338  0.003558640223  0.002394932836
  26  Al  6.000473938231  4.164371793166  1.934881398889  0.304608333842  -0.315251810278  0.375220161635  -0.001557756304  0.002975369484  -0.001557094978
  27  Al  6.015883891355  6.129041560025  0.115259568910  -0.013215139533  -0.243171155065  -0.743575493635  -0.001811124330  0.000722147456  0.001373836827
  28  Al  4.077621188923  4.113996457303  4.142405864796  -0.096082080337  -0.023759188343  -0.198588777826  0.000515840772  0.001972832448  0.001725801111
  29  Al  3.950691393969  6.112866989905  6.256350628174  0.388095171508  -0.070303425180  -0.214911159602  -0.001185910493  0.000847894594  0.004565776629
  30  Al  6.108727719483  3.927535872011  6.099751859358  -0.121524040625  0.629803388411  -0.287172595940  0.000717123736  -0.002034653607  0.000068768998
  31  Al  6.187644241045  6.028259147855  4.021372368207  -0.302533593230  0.192435988802  -0.015622053042  0.002403390002  -0.000721002735  -0.001500542164


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)
  -69.337238640120  -0.169952439216  1.155627834647
  -0.169952439216  -71.046995260719  -1.611199111007
  1.155627834647  -1.611199111007  -62.200290361878
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.981399562463  8.060811188968  8.020289764379  0.370344952972  0.019549941616  -0.037129178883  -0.002137108192  -0.001073322735  -0.003018496689
  1  Al  8.053405480214  1.942390441934  1.897222161599  0.221386259450  0.238254062101  0.088740110616  -0.000323472642  -0.001614030786  -0.003732839672
  2  Al  1.951043432835  7.979391103808  1.970517678648  0.011699020924  0.571144374566  0.261727851522  -0.002019038930  -0.002190956144  -0.000616246513
  3  Al  1.939739144655  1.980799165454  8.055059292411  -0.017079442323  -0.050167016419  0.025734103090  -0.002645922705  -0.001578428104  -0.002058930041
  4  Al  0.039109297951  8.003940924420  4.219856050066  0.148517458681  0.249650842750  -0.676109914800  0.002061168762  -0.002279510175  0.002688356761
  5  Al  0.016970558091  2.016601904049  6.139279819399  -0.026328005378  -0.078368826096  -0.299029799728  0.000456022280  -0.000645668981  0.000938132147
  6  Al  1.982828441274  0.001575617125  6.053668117567  0.132229762915  0.043981389087  0.180261838653  -0.001231708399  0.000925552964  -0.000009308497
  7  Al  2.011173152570  2.042429703934  4.131948970317  -0.045429227123  -0.134363651267  -0.212762538249  -0.000659686412  -0.000085486319  0.002197383094
  8  Al  8.043414337890  4.155069899950  7.943161828479  0.011282860771  -0.293033219987  0.419122179614  -0.001756040291  0.002018977346  -0.003327395621
  9  Al  0.037894688937  6.057303346425  2.022860196552  -0.155862008111  -0.008651987123  0.035103581079  0.000757266913  -0.000600083902  0.000376779226
  10  Al  2.090424357180  3.946350023063  2.026866814627  -0.302983677488  0.320879824517  0.324441727656  0.000938649170  -0.001102139897  0.001478223394
  11  Al  2.042513115320  6.117781212583  0.154629870496  -0.096459938848  -0.116185461086  -0.330605321425  -0.000112505897  0.001078091401  0.004388301612
  12  Al  8.054117449360  4.093907676702  3.959034830384  0.362518955368  -0.255247899192  0.225079501524  0.000233169543  0.000719890614  -0.001617882849
  13  Al  0.007644450591  6.030329853985  5.970468459959  -0.100151599363  0.026223158212  0.366098956377  -0.000120055342  -0.001255525418  -0.001977992892
  14  Al  1.991087603349  3.984118541912  6.110156466025  -0.016074408146  0.062786588445  -0.294942159008  -0.001457694436  -0.002438106875  -0.000086848178
  15  Al  2.121420603794  6.082332389025  3.922227985809  -0.407309788467  -0.201813310790  0.467101444013  0.001156105349  -0.000572364725  -0.002845730627
  16  Al  4.197346270630  0.152446111230  0.014871010107  -0.085335353527  -0.390516757928  0.154962440789  0.004304630905  0.003655507362  0.001493752047
  17  Al  3.902864493035  1.899415394449  2.003026541638  0.391742695576  0.258033627217  0.105764971042  -0.002696638539  -0.002899059380  -0.000495651845
  18  Al  6.165799285168  7.969794054160  1.881440451930  -0.246961965664  0.453152608832  0.378100713424  0.001323109794  -0.002975760399  -0.003114943509
  19  Al  6.104474345835  2.148727663850  7.920279446882  -0.122665414568  -0.582355774365  0.712287149096  -0.000066864501  0.001572669298  -0.003649187784
  20  Al  4.082245180224  0.139402964208  4.061905877489  -0.224917589563  -0.426167225134  0.069298586797  0.000070131145  0.002424848889  0.000346848118
  21  Al  4.088346653124  1.990049236986  6.122809865651  -0.040205692902  0.218241137582  0.019052432347  0.001242007270  -0.000188233866  0.002023452425
  22  Al  6.077388226019  0.037320549746  6.103279414489  -0.100091129898  0.055709376099  0.081151180830  -0.000093942639  0.002104232243  0.001382905988
  23  Al  6.179645513524  2.048705408674  4.031899375675  -0.210295511578  0.006300688167  0.103723704066  0.002159747977  0.000708822646  0.000537809790
  24  Al  4.091511667219  4.025133786082  0.139904756042  0.046846375161  0.012382559453  -0.639194098437  0.001775378416  -0.001033719938  0.001897445023
  25  Al  4.005542525156  6.215850776138  2.150963251266  0.337398926918  -0.170579806364  -0.433894526292  -0.000266879463  0.003529427782  0.002318712813
  26  Al  5.999708542227  4.165845641704  1.934119489928  0.314510375285  -0.325415480936  0.382615266866  -0.001502938768  0.002919117462  -0.001489873860
  27  Al  6.014977582991  6.129391826087  0.115913367712  -0.012156690767  -0.245983693420  -0.758090106429  -0.001814021882  0.000678660462  0.001240042517
  28  Al  4.077874858760  4.114981980870  4.143260036666  -0.098164521916  -0.024907857585  -0.197812152860  0.000498651348  0.001969165970  0.001690956234
  29  Al  3.950115684625  6.113287867457  6.258624302014  0.386192760229  -0.070638169673  -0.214782006794  -0.001117089378  0.000835586745  0.004528941136
  30  Al  6.109080910835  3.926546522515  6.099773413249  -0.122037321737  0.644064407578  -0.295559752746  0.000695594731  -0.001921457306  0.000016687882
  31  Al  6.188832619237  6.027907186408  4.020621270001  -0.304161116883  0.194041551142  -0.010456183750  0.002349977011  -0.000686696232  -0.001503395027


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)
  -69.000073654593  -0.165810542863  1.220275834671
  -0.165810542863  -70.739539925838  -1.580458332717
  1.220275834671  -1.580458332717  -61.845347666629
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.980347370955  8.060275305199  8.018778585615  0.373461943493  0.019415593382  -0.032272306745  -0.002071375436  -0.001070227953  -0.003025797228
  1  Al  8.053253610764  1.941593931634  1.895359373580  0.219551242357  0.240711414951  0.090800384751  -0.000284163260  -0.001571789257  -0.003718140025
  2  Al  1.950034255205  7.978320959156  1.970221199255  0.011357936983  0.585900077833  0.263781451996  -0.002017709682  -0.002088293009  -0.000569481290
  3  Al  1.938415182520  1.980007567370  8.054030793011  -0.014639692133  -0.051182305185  0.034762373531  -0.002649718700  -0.001588062896  -0.002054267584
  4  Al  0.040146705894  8.002812124163  4.221170247721  0.145391619642  0.256469730686  -0.683609422068  0.002088196527  -0.002235081958  0.002567751747
  5  Al  0.017197433284  2.016275508584  6.139735603098  -0.029467476866  -0.078246620062  -0.303523824681  0.000451198711  -0.000659907073  0.000884594719
  6  Al  1.982218387213  0.002040442581  6.053671520122  0.141056526701  0.036605050689  0.184151919235  -0.001207719124  0.000933094399  0.000023272426
  7  Al  2.010841219520  2.042380947099  4.133038348560  -0.043097262636  -0.135596447461  -0.220044352738  -0.000667841368  -0.000109655992  0.002159480477
  8  Al  8.042536664568  4.156066471245  7.941516566813  0.011799810087  -0.296746232640  0.424803808121  -0.001754613341  0.001966974205  -0.003253142426
  9  Al  0.038266423345  6.057002863906  2.023050189079  -0.160674543408  -0.007556156371  0.030970888068  0.000729238284  -0.000601750844  0.000382823995
  10  Al  2.090880222700  3.945813197465  2.027620561348  -0.304857642228  0.314013814723  0.324190195464  0.000884639127  -0.001045770259  0.001536757476
  11  Al  2.042452540555  6.118315161539  0.156809636993  -0.092546123452  -0.119619439880  -0.346337136109  -0.000129446812  0.001057397825  0.004329364205
  12  Al  8.054250259514  4.094256277094  3.958235804809  0.361919102224  -0.262586756942  0.225270209240  0.000298030238  0.000673849222  -0.001578201415
  13  Al  0.007579935411  6.029703150822  5.969495650579  -0.101890016470  0.027416707735  0.373234814764  -0.000138164578  -0.001251184615  -0.001912602385
  14  Al  1.990357906856  3.982902076315  6.110099850337  -0.010908174995  0.070645617319  -0.297022872362  -0.001460635880  -0.002427060368  -0.000139810632
  15  Al  2.121980553570  6.082037134339  3.920825744501  -0.408039721472  -0.203198075781  0.480573126110  0.001083619705  -0.000608786714  -0.002762025960
  16  Al  4.199495157747  0.154256736850  0.015624946885  -0.088896485236  -0.400159483305  0.150095132479  0.004290613352  0.003586134551  0.001521570832
  17  Al  3.901533442636  1.897977138724  2.002783398912  0.393159412726  0.261789745088  0.108943839047  -0.002627434197  -0.002853630659  -0.000476633310
  18  Al  6.166449919636  7.968326162795  1.879899601732  -0.244163243773  0.467962856836  0.383676572721  0.001279675463  -0.002894477700  -0.003047958628
  19  Al  6.104435424487  2.149488108474  7.918486364638  -0.118816852351  -0.589023771861  0.729628997877  -0.000088481054  0.001468500098  -0.003521581629
  20  Al  4.082270198352  0.140596556639  4.062082430282  -0.226085529422  -0.427526305023  0.074663242065  0.000029829839  0.002349394924  0.000359846380
  21  Al  4.088965970987  1.989964858469  6.123822625003  -0.043545680400  0.219245770417  0.013864867290  0.001234969123  -0.000149183963  0.002027129754
  22  Al  6.077336772235  0.038375344806  6.103974618957  -0.105094613770  0.048625740544  0.079204107319  -0.000112323537  0.002114324746  0.001397745912
  23  Al  6.180716181107  2.049060165216  4.032172965223  -0.211190967859  0.006430291792  0.098158334933  0.002122843929  0.000710218120  0.000556056298
  24  Al  4.092401609694  4.024617386884  0.140825077008  0.042853382110  0.015112400505  -0.647131636252  0.001784042998  -0.001031636439  0.001783115645
  25  Al  4.005424143096  6.217608181761  2.152103420731  0.343404656781  -0.169749254308  -0.440883224861  -0.000206101766  0.003500277330  0.002241335088
  26  Al  5.998970996530  4.167290916323  1.933391522121  0.321482008512  -0.336882534093  0.388286923137  -0.001446616274  0.002860956551  -0.001421483577
  27  Al  6.014069865933  6.129720221811  0.116499613847  -0.013792830959  -0.247852983748  -0.774165145690  -0.001817000212  0.000634749909  0.001103484714
  28  Al  4.078119841244  4.115965627116  4.144096824329  -0.098811298002  -0.027516788307  -0.194868081563  0.000481219509  0.001965192700  0.001656457862
  29  Al  3.949574302411  6.113702578281  6.260879578148  0.385396378747  -0.069768400145  -0.213586428950  -0.001048502443  0.000823335307  0.004492281158
  30  Al  6.109423315571  3.925614410955  6.099768547272  -0.125503317425  0.656551548954  -0.302369486954  0.000673713046  -0.001805858868  -0.000036770308
  31  Al  6.189994222642  6.027572450283  4.019868970246  -0.308812547507  0.196315193661  -0.003247269172  0.002296020015  -0.000652041321  -0.001505165686


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)
  -68.672931644062  -0.162299096199  1.284936133880
  -0.162299096199  -70.433880546381  -1.547641866421
  1.284936133880  -1.547641866421  -61.494197211139
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.979328182886  8.059740958876  8.017263961102  0.378750378575  0.016803158745  -0.025568349299  -0.002004899573  -0.001067394601  -0.003032114723
  1  Al  8.053121316386  1.940818649535  1.893504014142  0.220424780864  0.244270257782  0.095936034851  -0.000244929783  -0.001529019043  -0.003702850450
  2  Al  1.949025719120  7.977302806625  1.969948196219  0.007890787348  0.597653327003  0.268531362808  -0.002016752453  -0.001983254591  -0.000522099415
  3  Al  1.937089420659  1.979211099384  8.053005020721  -0.015418717701  -0.050380009969  0.045725351986  -0.002653409620  -0.001597745485  -0.002047848426
  4  Al  0.041197498651  8.001705837994  4.222423806946  0.143868440134  0.260640748592  -0.692908325106  0.002114851724  -0.002189690031  0.002445640684
  5  Al  0.017421757704  2.015941995657  6.140164415886  -0.030246873765  -0.076640496241  -0.310860003514  0.000446030098  -0.000674006365  0.000829993656
  6  Al  1.981620719736  0.002508713389  6.053691390039  0.146471529242  0.027003903826  0.184806081101  -0.001182466659  0.000939135359  0.000056272126
  7  Al  2.010505309866  2.042320047723  4.134108455111  -0.044248514205  -0.135131025468  -0.229129431436  -0.000675904362  -0.000133904980  0.002120134580
  8  Al  8.041659721042  4.157036878087  7.939908679550  0.015555026951  -0.298010179594  0.431955234953  -0.001752831682  0.001914537952  -0.003177765800
  9  Al  0.038623928679  6.056701594378  2.023243021312  -0.163051936146  -0.007737507591  0.029506774824  0.000700567929  -0.000603346176  0.000388376629
  10  Al  2.091308998075  3.945304250713  2.028403575175  -0.309946604875  0.309807165593  0.326216742960  0.000830000488  -0.000990386382  0.001595496341
  11  Al  2.042383668249  6.118838612521  0.158959243355  -0.091989373211  -0.124934627197  -0.359135008126  -0.000145996318  0.001035931025  0.004267922572
  12  Al  8.054415480194  4.094581527271  3.957456625815  0.363801561220  -0.267540677366  0.223758137566  0.000363034391  0.000626702270  -0.001538648446
  13  Al  0.007506285737  6.029078666869  5.968555853751  -0.101141964083  0.027587678627  0.377023800729  -0.000156371274  -0.001246740031  -0.001846241102
  14  Al  1.989626964550  3.981691476693  6.110016655114  -0.009271883046  0.080828175824  -0.301830133377  -0.001462993317  -0.002414435035  -0.000193410834
  15  Al  2.122504225665  6.081723601094  3.919465954328  -0.411970349832  -0.206112586328  0.491932332320  0.001010707639  -0.000645616284  -0.002676113767
  16  Al  4.201636892559  0.156032252950  0.016392583980  -0.094091770237  -0.412030538385  0.147033270386  0.004275875668  0.003514869200  0.001548715058
  17  Al  3.900237053586  1.896561758086  2.002549907375  0.391247584683  0.266740485902  0.114654460471  -0.002558290131  -0.002807451807  -0.000456820417
  18  Al  6.167078963188  7.966899570675  1.878392487209  -0.237717321220  0.479613893766  0.392128150179  0.001237071943  -0.002810844690  -0.002979742960
  19  Al  6.104385864604  2.150196166884  7.916757858214  -0.111636522170  -0.594120128537  0.747565703586  -0.000109120861  0.001363263638  -0.003390829525
  20  Al  4.082275010123  0.141752363828  4.062265724589  -0.229355813017  -0.431221532353  0.078177384096  -0.000010882784  0.002273498301  0.000373649077
  21  Al  4.089581624715  1.989900052724  6.124836999456  -0.049143197839  0.221239793428  0.006087098914  0.001227148789  -0.000109853820  0.002029681275
  22  Al  6.077275902257  0.039434878719  6.104677163194  -0.106688687801  0.039292282145  0.074400313821  -0.000131302960  0.002122986559  0.001412009862
  23  Al  6.181768361696  2.049415628213  4.032455433084  -0.208124954975  0.007638757789  0.090962815043  0.002086153943  0.000711745018  0.000573177355
  24  Al  4.093295713783  4.024102147580  0.141687875251  0.036101825632  0.020385392039  -0.652228084471  0.001791778341  -0.001028852942  0.001667606703
  25  Al  4.005336422979  6.219351060465  2.153204590834  0.346518414030  -0.170625880600  -0.445225177668  -0.000144489373  0.003471167452  0.002162951069
  26  Al  5.998261923061  4.168706603973  1.932698003510  0.331249135186  -0.345424619893  0.396788520073  -0.001388799118  0.002801030296  -0.001351823157
  27  Al  6.013160579147  6.130026577265  0.117016854632  -0.012413617837  -0.250467019546  -0.787394303994  -0.001820031430  0.000590432259  0.000964273507
  28  Al  4.078356079231  4.116947177498  4.144916497839  -0.102315951878  -0.027598299381  -0.194227427525  0.000463417632  0.001961008547  0.001622293499
  29  Al  3.949067180087  6.114111204410  6.263116592152  0.381724399772  -0.070062576719  -0.214814865711  -0.000980306250  0.000811143849  0.004455675881
  30  Al  6.109754625228  3.924740660037  6.099736642868  -0.125357405255  0.670698175049  -0.311614114803  0.000651537062  -0.001687864714  -0.000091684421
  31  Al  6.191128643841  6.027255143783  4.019116101306  -0.309472404542  0.197834509062  0.001745654364  0.002241604504  -0.000617044750  -0.001505869824


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)
  -68.348026854247  -0.158079525877  1.352855824835
  -0.158079525877  -70.130539250232  -1.510230460810
  1.352855824835  -1.510230460810  -61.157244731775
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.978342467281  8.059207908415  8.015746464689  0.381596616085  0.016619913090  -0.020027579155  -0.001937703136  -0.001064827446  -0.003037388948
  1  Al  8.053008680480  1.940064909463  1.891656515555  0.218404848642  0.246854040775  0.097885118360  -0.000205787611  -0.001485707830  -0.003686981518
  2  Al  1.948017498627  7.976337700508  1.969699098772  0.006825774344  0.611488603342  0.270208817873  -0.002016232815  -0.001875919662  -0.000474132965
  3  Al  1.935761767471  1.978409818616  8.051982940396  -0.013689801274  -0.050901947604  0.055141802692  -0.002657060065  -0.001607432663  -0.002039637728
  4  Al  0.042261561945  8.000622429653  4.223615893408  0.140010174208  0.266919923645  -0.700131311656  0.002141070336  -0.002143381635  0.002322044717
  5  Al  0.017643464294  2.015601500840  6.140565598452  -0.033812451986  -0.076078238202  -0.315063719807  0.000440478204  -0.000687928150  0.000774353071
  6  Al  1.981035918136  0.002979579861  6.053727792364  0.154229433448  0.019769184311  0.188625878218  -0.001156045721  0.000943688472  0.000089685551
  7  Al  2.010165313775  2.042247041845  4.135158487477  -0.042719264026  -0.135965614558  -0.236441219330  -0.000683947637  -0.000158198528  0.002079341690
  8  Al  8.040783829300  4.157981013114  7.938338794512  0.016411674980  -0.301653046556  0.437737043404  -0.001750665383  0.001861673716  -0.003101255106
  9  Al  0.038966992707  6.056399516495  2.023438566503  -0.167941807891  -0.006785501605  0.025303252988  0.000671248030  -0.000604883001  0.000393430926
  10  Al  2.091710224886  3.944822809057  2.029216060953  -0.312264585468  0.303021752903  0.325154532563  0.000774691870  -0.000935980025  0.001654370028
  11  Al  2.042306543939  6.119351094684  0.161077568296  -0.088894824265  -0.128692948136  -0.373759567333  -0.000162228104  0.001013661397  0.004204074361
  12  Al  8.054613294647  4.094882980646  3.956697153216  0.362541390222  -0.274431864734  0.223569934304  0.000428125216  0.000578488093  -0.001499257166
  13  Al  0.007423563817  6.028456408240  5.967649405700  -0.102905762303  0.028644181628  0.383614284882  -0.000174678372  -0.001242204191  -0.001778955993
  14  Al  1.988894910547  3.980487636341  6.109906439107  -0.005184941203  0.088516260329  -0.303484640106  -0.001464863638  -0.002400246036  -0.000247612696
  15  Al  2.122991263277  6.081391516734  3.918149625259  -0.413248338492  -0.207621124320  0.504136377963  0.000937318026  -0.000682866066  -0.002588104791
  16  Al  4.203771042162  0.157771613240  0.017173665111  -0.097691080776  -0.421413851396  0.142441398439  0.004260415243  0.003441732786  0.001575210526
  17  Al  3.898975147271  1.895169681174  2.002326577561  0.392209112946  0.270625926257  0.117569406840  -0.002489245786  -0.002760510521  -0.000436235996
  18  Al  6.167686994110  7.965515312355  1.876919852676  -0.233725731723  0.493465295156  0.397468852773  0.001195405300  -0.002724944566  -0.002910315969
  19  Al  6.104326303403  2.150851374901  7.915095528177  -0.106633446944  -0.599840519687  0.764014962199  -0.000128681015  0.001257041384  -0.003257007150
  20  Al  4.082259315546  0.142870059590  4.062456080123  -0.229985225295  -0.432333331691  0.082984671075  -0.000051960029  0.002197179365  0.000388207250
  21  Al  4.090193122286  1.989855004424  6.125852310430  -0.052316276025  0.222242021261  0.001005890009  0.001218561091  -0.000070242331  0.002031116888
  22  Al  6.077205469007  0.040498335708  6.105386631708  -0.110547082811  0.032448231088  0.072134593563  -0.000150779397  0.002130239607  0.001425670093
  23  Al  6.182802339318  2.049771911691  4.032746143751  -0.207933422656  0.007935034300  0.085281368719  0.002049774881  0.000713418600  0.000589162908
  24  Al  4.094193391700  4.023588531838  0.142492687122  0.031761594733  0.023080018033  -0.658916041071  0.001798553939  -0.001025372612  0.001551026405
  25  Al  4.005279653428  6.221079356315  2.154266376225  0.352090232238  -0.169891448305  -0.451940588146  -0.000082078855  0.003442089897  0.002083583096
  26  Al  5.997582194571  4.170091952350  1.932039696199  0.338797103044  -0.356124324671  0.402220852757  -0.001329433859  0.002739405747  -0.001280911788
  27  Al  6.012249830780  6.130310655278  0.117463889327  -0.012970332571  -0.252068928204  -0.801732966183  -0.001823019792  0.000545730067  0.000822559062
  28  Al  4.078583259824  4.117926639675  4.145719121147  -0.102797785085  -0.030180955009  -0.191723868922  0.000445259925  0.001956616358  0.001588423379
  29  Al  3.948593994155  6.114513723789  6.265335263144  0.380545036206  -0.069342361011  -0.213449124704  -0.000912533374  0.000798998926  0.004419140986
  30  Al  6.110074853966  3.923926542788  6.099676862663  -0.127507251999  0.681889714233  -0.317923916526  0.000629183881  -0.001567586633  -0.000148012093
  31  Al  6.192235831732  6.026955404271  4.018363097342  -0.312653578305  0.199805905338  0.008095503320  0.002186860849  -0.000581732520  -0.001505584418


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)
  -68.031538090084  -0.154127688326  1.421365868178
  -0.154127688326  -69.830143422619  -1.470014641516
  1.421365868178  -1.470014641516  -60.825553486314
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.977390475698  8.058676129202  8.014226565801  0.385251146712  0.014968287365  -0.014086022143  -0.001869930437  -0.001062440974  -0.003041688915
  1  Al  8.052915528345  1.939332938598  1.889817024911  0.217578127910  0.250206854168  0.102134361102  -0.000166887610  -0.001441872940  -0.003670613053
  2  Al  1.947009482088  7.975426883039  1.969474062262  0.004596787998  0.623249428375  0.273904030959  -0.002016040925  -0.001766283801  -0.000425674622
  3  Al  1.934432355036  1.977603663359  8.050965378727  -0.012836122221  -0.050075512805  0.064855408903  -0.002660525088  -0.001617123159  -0.002029746955
  4  Al  0.043338573466  7.999562451876  4.224745856519  0.136970239914  0.271796537830  -0.707670075428  0.002166718180  -0.002096092565  0.002197117440
  5  Al  0.017862236830  2.015254066068  6.140938770577  -0.036351544397  -0.074482739084  -0.321406695985  0.000434385506  -0.000701674008  0.000717759825
  6  Al  1.980464671597  0.003452403834  6.053781075778  0.160644845177  0.011207768545  0.190130516144  -0.001128365942  0.000946846604  0.000123590033
  7  Al  2.009821360799  2.042161848864  4.136187801150  -0.042686058656  -0.135516097623  -0.244102705016  -0.000691865778  -0.000182538924  0.002037227937
  8  Al  8.039909051997  4.158898555697  7.936807417957  0.018880252251  -0.303841831718  0.443660327635  -0.001748229889  0.001808297567  -0.003023718320
  9  Al  0.039295178113  6.056096710112  2.023636453061  -0.171466376824  -0.006794576380  0.023097280496  0.000641175034  -0.000606346155  0.000397920658
  10  Al  2.092083691565  3.944368268731  2.030057948663  -0.315582514304  0.297849699757  0.325827400367  0.000718869842  -0.000882636456  0.001713260054
  11  Al  2.042221439806  6.119852276039  0.163163326509  -0.086959722006  -0.133739877064  -0.387286476291  -0.000178019382  0.000990612243  0.004137752839
  12  Al  8.054843606305  4.095160016573  3.955957365512  0.362764404169  -0.279931972723  0.222994320435  0.000493156638  0.000529156061  -0.001459943152
  13  Al  0.007331607000  6.027836460080  5.966776894036  -0.103411430086  0.029084541426  0.387945876878  -0.000193198676  -0.001237553263  -0.001710696612
  14  Al  1.988162097848  3.979291225636  6.109769041899  -0.002414925533  0.097541729672  -0.306990344064  -0.001466145856  -0.002384596606  -0.000302301930
  15  Al  2.123441545651  6.081040733600  3.916877844124  -0.415718605199  -0.210168128810  0.515551555915  0.000863579198  -0.000720504820  -0.002497991246
  16  Al  4.205897316713  0.159473992935  0.017967797801  -0.102012713385  -0.431999537561  0.138177875391  0.004244310920  0.003366838342  0.001600950951
  17  Al  3.897747802594  1.893801241791  2.002113670467  0.391667570660  0.275621285462  0.122205813895  -0.002420177306  -0.002712801958  -0.000414975280
  18  Al  6.168274370989  7.964174620410  1.875482165153  -0.228270259521  0.505413278104  0.404477875602  0.001154586407  -0.002636748045  -0.002839804935
  19  Al  6.104257183320  2.151453210898  7.913500844251  -0.100431224238  -0.604396476959  0.779965742825  -0.000147249234  0.001149878250  -0.003120287660
  20  Al  4.082223049986  0.143949547789  4.062653932651  -0.231639660865  -0.434819183783  0.087410825235  -0.000093258913  0.002120544380  0.000403603361
  21  Al  4.090800188355  1.989829810246  6.126868120593  -0.056728403628  0.223953203644  -0.005792985098  0.001209311873  -0.000030373409  0.002031524451
  22  Al  6.077125122545  0.041565122782  6.106102836270  -0.113027228810  0.024250363885  0.067855019626  -0.000170832964  0.002136185868  0.001438774194
  23  Al  6.183818140865  2.050129048306  4.033044597225  -0.205961912015  0.008850634482  0.079378434846  0.002013608539  0.000715213044  0.000604128820
  24  Al  4.095094271484  4.023076772823  0.143238904900  0.025954258797  0.027183723741  -0.664393513671  0.001804454704  -0.001021299981  0.001433337005
  25  Al  4.005254343952  6.222793157562  2.155288178288  0.356010100424  -0.170398281733  -0.456698494018  -0.000018795810  0.003413078017  0.002003191738
  26  Al  5.996932486421  4.171446015450  1.931417089043  0.347077551672  -0.365105281936  0.409239154022  -0.001268651356  0.002676041952  -0.001208879750
  27  Al  6.011337555542  6.130572308473  0.117839415415  -0.012428739723  -0.254244108289  -0.814837531752  -0.001826040925  0.000500681158  0.000678347202
  28  Al  4.078801340087  4.118903797948  4.146504924540  -0.104951247796  -0.031404181655  -0.190022929495  0.000426866635  0.001951914511  0.001554941886
  29  Al  3.948154644804  6.114910205006  6.267535742381  0.377960664902  -0.069447952882  -0.213900803051  -0.000845084843  0.000786917307  0.004382746335
  30  Al  6.110383810425  3.923173070125  6.099588630465  -0.128253379727  0.693897799076  -0.325611188429  0.000606573164  -0.001445211579  -0.000205616515
  31  Al  6.193315509264  6.026673410046  4.017610513739  -0.314223881653  0.201290605471  0.013987944165  0.002131706500  -0.000546106659  -0.001504229171


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)
  -67.718469056679  -0.150431205920  1.492504617447
  -0.150431205920  -69.532415592875  -1.425633555674
  1.492504617447  -1.425633555674  -60.508363247802
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.976472532849  8.058145465171  8.012704769275  0.386895738694  0.015390159653  -0.008887233010  -0.001801687079  -0.001060181439  -0.003045045998
  1  Al  8.052841792514  1.938623033441  1.887985894658  0.214227436039  0.252512689144  0.103131763021  -0.000128347638  -0.001397538052  -0.003653830674
  2  Al  1.946001453394  7.974571412933  1.969273423240  0.005148717639  0.636658397713  0.274615585494  -0.002016033026  -0.001654381139  -0.000376809087
  3  Al  1.933101236698  1.976792692002  8.049953189104  -0.009472524370  -0.050724042611  0.073471080550  -0.002663659479  -0.001626829178  -0.002018247393
  4  Al  0.044428284755  7.998526332609  4.225813015542  0.131959541806  0.278268289653  -0.713488627762  0.002191693580  -0.002047804349  0.002070980488
  5  Al  0.018077850728  2.014899825333  6.141283359811  -0.041143132099  -0.074010677945  -0.324675265560  0.000427642099  -0.000715252632  0.000660295509
  6  Al  1.979907549782  0.003926428488  6.053851382660  0.169625449026  0.004739525929  0.194638032894  -0.001099316943  0.000948678152  0.000158048441
  7  Al  2.009473446519  2.042064502531  4.137195719768  -0.039634041605  -0.136580914231  -0.250219212554  -0.000699523074  -0.000206947649  0.001993898962
  8  Al  8.039035595676  4.159789314545  7.935315069731  0.018721464641  -0.308040989583  0.448647666084  -0.001745616415  0.001754358401  -0.002945224524
  9  Al  0.039608169111  6.055793169045  2.023836488011  -0.177097887345  -0.005564622920  0.018272641560  0.000610281535  -0.000607711014  0.000401790341
  10  Al  2.092429096264  3.943940170715  2.030929324668  -0.315947065300  0.290572928173  0.323504349386  0.000662707255  -0.000830398579  0.001772056241
  11  Al  2.042128524176  6.120341709044  0.165215329976  -0.082366672340  -0.136979761426  -0.402033519597  -0.000193236565  0.000966829177  0.004068945261
  12  Al  8.055106452339  4.095412137838  3.955237206944  0.359915955632  -0.286847551430  0.223478975746  0.000557988949  0.000478702074  -0.001420645466
  13  Al  0.007230364728  6.027218852333  5.965938705433  -0.106034746826  0.030463867817  0.394722936823  -0.000212009816  -0.001232758608  -0.001641444193
  14  Al  1.987428761558  3.978103034639  6.109604136532  0.002911480019  0.104402303708  -0.307686535096  -0.001466729449  -0.002367560445  -0.000357394970
  15  Al  2.123854844320  6.080671010375  3.915651628676  -0.415309426225  -0.211191655801  0.527312769291  0.000789639719  -0.000758490843  -0.002405809726
  16  Al  4.208015362151  0.161138458776  0.018774619483  -0.105282108385  -0.440481182822  0.132749360610  0.004227592870  0.003290264442  0.001625862625
  17  Al  3.896554964794  1.892456873419  2.001911601394  0.393610057621  0.279273556170  0.124304850594  -0.002350995502  -0.002664346004  -0.000393110384
  18  Al  6.168841582983  7.962878558676  1.874080041673  -0.225462299487  0.519148761017  0.408737963801  0.001114508813  -0.002546262525  -0.002768304674
  19  Al  6.104179053854  2.152001255608  7.911975233850  -0.096536072628  -0.609434179104  0.794801458575  -0.000164924848  0.001041831720  -0.002980810670
  20  Al  4.082166056434  0.144990608502  4.062859684347  -0.231017139885  -0.435071037855  0.092640382965  -0.000134668989  0.002043668294  0.000419876166
  21  Al  4.091402436743  1.989824630949  6.127883839222  -0.059057605743  0.224474212620  -0.010171370738  0.001199476433  0.000009711340  0.002030967103
  22  Al  6.077034635677  0.042634526141  6.106825408976  -0.118040394287  0.018184097413  0.065871070348  -0.000191567884  0.002140895292  0.001451348066
  23  Al  6.184815952159  2.050487126262  4.033350273861  -0.207243014845  0.008862491592  0.074496606019  0.001977522815  0.000717103274  0.000618146879
  24  Al  4.095997850260  4.022567229674  0.143926027190  0.022389289634  0.029043127352  -0.670938427638  0.001809550419  -0.001016709707  0.001314547413
  25  Al  4.005260857578  6.224492441625  2.156269572243  0.361880642751  -0.169186023051  -0.463531081626  0.000045388936  0.003384174783  0.001921764110
  26  Al  5.996313540504  4.172768000020  1.930830813866  0.352921514174  -0.375854035382  0.413486048881  -0.001206601810  0.002610932624  -0.001135830601
  27  Al  6.010423785954  6.130811337505  0.118142237978  -0.014053645775  -0.255404967839  -0.828604873572  -0.001829191091  0.000455323500  0.000531683413
  28  Al  4.079010127370  4.119878558357  4.147274066355  -0.104240700991  -0.034637282811  -0.186904140382  0.000408343820  0.001946845239  0.001521903618
  29  Al  3.947748907507  6.115300642777  6.269718018843  0.377552809915  -0.068363909378  -0.211930994670  -0.000777889849  0.000774931421  0.004346546307
  30  Al  6.110681428426  3.922481328121  6.099471245709  -0.131455478145  0.703305032238  -0.330627797400  0.000583610171  -0.001320894664  -0.000264384568
  31  Al  6.194367542787  6.026409296445  4.016858864957  -0.318366141309  0.203073393994  0.020815536962  0.002076054249  -0.000510182904  -0.001501761398


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)
  -67.416683974871  -0.146230345304  1.562830953272
  -0.146230345304  -69.239321967497  -1.377833430191
  1.562830953272  -1.377833430191  -60.195564231622
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.975588784690  8.057615945452  8.011181513162  0.392015315642  0.012775102089  -0.001550268772  -0.001732840144  -0.001058135326  -0.003047336160
  1  Al  8.052787180428  1.937935397498  1.886163186269  0.214620060560  0.255520157578  0.108276239696  -0.000090057546  -0.001352732796  -0.003636554816
  2  Al  1.944993444665  7.973772498292  1.969097252354  0.002403772361  0.646455849522  0.278901773232  -0.002016256015  -0.001540383024  -0.000327481805
  3  Al  1.931768689748  1.975976830633  8.048947126932  -0.009234881771  -0.050124275808  0.084303709345  -0.002666519189  -0.001636571874  -0.002005038582
  4  Al  0.045530271825  7.997514643061  4.226816841523  0.129817789810  0.281726806349  -0.721699210903  0.002216078150  -0.001998642414  0.001943569678
  5  Al  0.018289879862  2.014538811877  6.141599067526  -0.042446432413  -0.072587062112  -0.331541005824  0.000420358125  -0.000728680023  0.000601911272
  6  Al  1.979365352257  0.004401084055  6.053939124563  0.174955130236  -0.004487356285  0.195105614363  -0.001068994604  0.000949123424  0.000192969505
  7  Al  2.009121836199  2.041954900763  4.138181704460  -0.040256273802  -0.136422422953  -0.258803758829  -0.000706978519  -0.000231451655  0.001949270903
  8  Al  8.038163431775  4.160652917924  7.933862187010  0.022771626292  -0.309203416021  0.455439887449  -0.001742683960  0.001699946510  -0.002865693933
  9  Al  0.039905460979  6.055488997773  2.024038244278  -0.179172088462  -0.005121875876  0.016862658521  0.000578696027  -0.000608937385  0.000405111152
  10  Al  2.092746400265  3.943537868341  2.031830008768  -0.319635041574  0.286302320998  0.324281658171  0.000606169187  -0.000779184765  0.001830770485
  11  Al  2.042028202820  6.120819107324  0.167232280643  -0.081346287522  -0.141607819595  -0.413373757832  -0.000207961782  0.000942348856  0.003997845128
  12  Al  8.055401596471  4.095638719691  3.954536716949  0.360661860865  -0.291069897575  0.221568816872  0.000622671213  0.000427238353  -0.001381482591
  13  Al  0.007119596721  6.026603698784  5.965135446264  -0.105163969814  0.031469966090  0.397631504646  -0.000230989547  -0.001227769829  -0.001571323756
  14  Al  1.986695365201  3.976923660029  6.109411646150  0.004798674970  0.114004295363  -0.311571977795  -0.001466693574  -0.002349085625  -0.000412927941
  15  Al  2.124231187092  6.080282241103  3.914472029151  -0.418153495301  -0.213049068442  0.536446303922  0.000715463829  -0.000796764167  -0.002311761047
  16  Al  4.210124918802  0.162764264552  0.019593663971  -0.111334712910  -0.451617529578  0.129808056201  0.004210106906  0.003211959633  0.001650064820
  17  Al  3.895396801965  1.891136889976  2.001720559225  0.391239701131  0.283863487172  0.129688033699  -0.002281862299  -0.002615177844  -0.000370573662
  18  Al  6.169388882233  7.961628352332  1.872713854441  -0.218789784723  0.529339466389  0.416552942961  0.001075280679  -0.002453641940  -0.002695741198
  19  Al  6.104092258111  2.152495044890  7.910520027081  -0.089259960378  -0.613141987121  0.810693315578  -0.000181612106  0.000932973936  -0.002838576530
  20  Al  4.082088380703  0.145993220540  4.063073809732  -0.233745390037  -0.438291625392  0.095571979453  -0.000176287779  0.001966483379  0.000436893094
  21  Al  4.091999667404  1.989839521607  6.128899092126  -0.064944967272  0.225668910663  -0.017895299993  0.001188922675  0.000049967191  0.002029362381
  22  Al  6.076933554243  0.043706022742  6.107554187501  -0.119397736981  0.009230713498  0.060200933463  -0.000212884818  0.002144300672  0.001463268057
  23  Al  6.185795667993  2.050846153144  4.033662745452  -0.204263293721  0.009538759584  0.067376779494  0.001941607340  0.000719068238  0.000631108552
  24  Al  4.096903825850  4.022060060898  0.144553455180  0.014994759926  0.033947293604  -0.674137835322  0.001813699599  -0.001011530180  0.001194857264
  25  Al  4.005299732987  6.226177339724  2.157209946590  0.363645956395  -0.169416476705  -0.466918481252  0.000110285307  0.003355405114  0.001839420200
  26  Al  5.995725881980  4.174056953769  1.930281255965  0.361533162677  -0.383215964812  0.421177445602  -0.001143253360  0.002544220458  -0.001061701616
  27  Al  6.009508360462  6.131027632966  0.118371099987  -0.012459917159  -0.257117870228  -0.838946998209  -0.001832376990  0.000409696908  0.000382808855
  28  Al  4.079209684798  4.120850647433  4.148026831477  -0.107458101769  -0.034832122386  -0.186650825054  0.000389595797  0.001941500825  0.001489178708
  29  Al  3.947376753258  6.115685138118  6.271882298167  0.373191761848  -0.068208462618  -0.213226175558  -0.000711105349  0.000763064506  0.004310465797
  30  Al  6.110967421869  3.921852172581  6.099324245321  -0.131011986643  0.715021935436  -0.338637672739  0.000560400542  -0.001194657311  -0.000324347686
  31  Al  6.195391568041  6.026163226030  4.016108749065  -0.318575250460  0.204650169171  0.025065615414  0.002020024411  -0.000473951845  -0.001498327906


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)
  -67.119431347587  -0.141140893088  1.636491642014
  -0.141140893088  -68.949393218170  -1.326379415422
  1.636491642014  -1.326379415422  -59.898181621286
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.974739688852  8.057087327492  8.009657426339  0.394464997058  0.012504930579  0.003474952506  -0.001663315553  -0.001056364890  -0.003048575526
  1  Al  8.052751734767  1.937270297637  1.884349331755  0.212179182585  0.258082245458  0.110294178890  -0.000051934794  -0.001307432938  -0.003618694596
  2  Al  1.943985192896  7.973031026484  1.968945940707  0.001777525117  0.658095021913  0.280260551734  -0.002016816015  -0.001424443327  -0.000277633093
  3  Al  1.930434711580  1.975156116489  8.047948146063  -0.006901167252  -0.050142729495  0.092464959957  -0.002669197160  -0.001646295798  -0.001990160593
  4  Al  0.046644367832  7.996527685751  4.227756589542  0.125294443968  0.287066007319  -0.726623123063  0.002239916779  -0.001948706593  0.001814960659
  5  Al  0.018498209788  2.014171143690  6.141885272421  -0.046589226941  -0.071596521655  -0.335524519516  0.000412591243  -0.000741910457  0.000542540947
  6  Al  1.978838552801  0.004875554023  6.054044352595  0.182220773206  -0.011399262177  0.198453535905  -0.001037551009  0.000948142456  0.000228251016
  7  Al  2.008766466427  2.041833050361  4.139144995005  -0.038660679457  -0.136971981262  -0.264317040717  -0.000714362747  -0.000256005837  0.001903396213
  8  Al  8.037292907840  4.161489264835  7.932449369425  0.024119576034  -0.312660566248  0.459715952100  -0.001739298120  0.001645126705  -0.002785187871
  9  Al  0.040186866425  6.055184230305  2.024241600064  -0.183651007997  -0.004159739129  0.012945390910  0.000546520362  -0.000610049397  0.000407964234
  10  Al  2.093035266799  3.943160984218  2.032760099224  -0.321023477123  0.279814953306  0.322135885074  0.000549162153  -0.000728923360  0.001889421238
  11  Al  2.041920561932  6.121284059995  0.169213183994  -0.078203710139  -0.145291854314  -0.427431895332  -0.000222325096  0.000917130715  0.003924511864
  12  Al  8.055729124936  4.095839377141  3.953855721281  0.358439794072  -0.297050474461  0.222297112982  0.000687261823  0.000374846413  -0.001342431897
  13  Al  0.006999374668  6.025991079774  5.964367378183  -0.106635883760  0.032762636456  0.403066296968  -0.000250035718  -0.001222594819  -0.001500453023
  14  Al  1.985962064723  3.975753943790  6.109191207672  0.008469606300  0.121229435352  -0.312618152920  -0.001466186468  -0.002329139036  -0.000468934396
  15  Al  2.124570309740  6.079874244436  3.913339862488  -0.418887415346  -0.214124468270  0.547543608472  0.000640946870  -0.000835331148  -0.002215901239
  16  Al  4.212225478419  0.164350425552  0.020424687972  -0.115593554727  -0.460234622132  0.124086245503  0.004191764984  0.003131909371  0.001673532374
  17  Al  3.894273097421  1.889841689760  2.001541026908  0.391674080987  0.287782378878  0.132299045257  -0.002212910925  -0.002565272470  -0.000347318373
  18  Al  6.169916866053  7.960424911279  1.871384294480  -0.214301423072  0.541423219833  0.421190159700  0.001037051635  -0.002359030630  -0.002622078677
  19  Al  6.103997441345  2.152934231619  7.909136651007  -0.083835741733  -0.617059915476  0.823688006339  -0.000197174474  0.000823401197  -0.002693744635
  20  Al  4.081989768263  0.146957096253  4.063296578412  -0.233808678062  -0.438980793184  0.100946657217  -0.000218178201  0.001888948360  0.000454668187
  21  Al  4.092591362062  1.989874598251  6.129913206116  -0.068228031565  0.226174722730  -0.022957678889  0.001177565009  0.000090394274  0.002026649264
  22  Al  6.076821750386  0.044778831581  6.108288680287  -0.122703087597  0.002860348785  0.057018278102  -0.000234632122  0.002146375059  0.001474427579
  23  Al  6.186757563816  2.051206196099  4.033981383817  -0.203703486730  0.009718122931  0.063100596368  0.001906026194  0.000721123251  0.000643068181
  24  Al  4.097811553891  4.021555697245  0.145120887111  0.010045247564  0.036347792116  -0.679877137646  0.001816778753  -0.001005712903  0.001074334437
  25  Al  4.005371143130  6.227847854200  2.158108996533  0.367778102068  -0.168527072880  -0.472485957943  0.000175740460  0.003326740303  0.001756270471
  26  Al  5.995170284602  4.175312226135  1.929769109889  0.368315130882  -0.392578803112  0.425839414277  -0.001078519728  0.002476027186  -0.000986452977
  27  Al  6.008591404889  6.131221035325  0.118525047684  -0.012450416824  -0.258089325578  -0.851343625501  -0.001835453200  0.000363816752  0.000231840073
  28  Al  4.079399724034  4.121820063499  4.148763248375  -0.107842260951  -0.037453969694  -0.183447298677  0.000370524053  0.001935936257  0.001456774228
  29  Al  3.947037800577  6.116063708980  6.274028494226  0.371239973328  -0.067322631481  -0.212191441833  -0.000644867500  0.000751298729  0.004274421406
  30  Al  6.111241830214  3.921286668154  6.099146897301  -0.132323240499  0.723559119008  -0.343742603686  0.000537112626  -0.001066572477  -0.000385516486
  31  Al  6.196387571689  6.025935343547  4.015360533719  -0.320675943393  0.206223795883  0.031739647461  0.001963798092  -0.000437430946  -0.001493942368


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)
  -66.831888460778  -0.136714997556  1.709915292933
  -0.136714997556  -68.664112567300  -1.271604313023
  1.709915292933  -1.271604313023  -59.608088035171
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.973925465369  8.056559578168  8.008132930730  0.397738108036  0.010780100440  0.010412054856  -0.001593276175  -0.001054790926  -0.003048800374
  1  Al  8.052735245516  1.936627961598  1.882544483475  0.211060974673  0.261133240554  0.114272960739  -0.000014113228  -0.001261633171  -0.003600354498
  2  Al  1.942976624081  7.972348051738  1.968819618632  -0.000223258454  0.667641631746  0.283295645905  -0.002017647301  -0.001306579936  -0.000227372909
  3  Al  1.929099486541  1.974330531105  8.046956961830  -0.005687383784  -0.048988702915  0.102459507552  -0.002671606964  -0.001655952245  -0.001973687701
  4  Al  0.047770193678  7.995565932054  4.228631806294  0.121604416131  0.291008835635  -0.733258734873  0.002263072319  -0.001897952074  0.001685289746
  5  Al  0.018702472039  2.013796899739  6.142141609702  -0.049752427955  -0.069746706346  -0.341194322383  0.000404174770  -0.000754906433  0.000482289093
  6  Al  1.978327798897  0.005349228659  6.054167376096  0.187931406719  -0.019670723803  0.199711562395  -0.001004950792  0.000945820289  0.000263965140
  7  Al  2.008407471833  2.041698894347  4.140085104985  -0.038717245066  -0.136390239285  -0.271685806518  -0.000721625630  -0.000280573317  0.001856382016
  8  Al  8.036424129715  4.162298048355  7.931076992830  0.026984669917  -0.314669985384  0.465612765670  -0.001735565086  0.001589821643  -0.002703783991
  9  Al  0.040451982579  6.054878946993  2.024446209436  -0.186791729183  -0.003929479981  0.010579666027  0.000513657933  -0.000611066232  0.000410264135
  10  Al  2.093295563663  3.942808943329  2.033719434287  -0.323526306663  0.274881271844  0.321338807024  0.000491790074  -0.000679672555  0.001947870359
  11  Al  2.041805877221  6.121736240116  0.171156801398  -0.076456272251  -0.150028394101  -0.438902614864  -0.000236261902  0.000891164109  0.003848931421
  12  Al  8.056088859851  4.096013566953  3.953194282010  0.357655357667  -0.301567715427  0.221211827265  0.000751626391  0.000321497720  -0.001303418722
  13  Al  0.006869560437  6.025381101196  5.963634989842  -0.106897958417  0.033644665175  0.406402004264  -0.000269250414  -0.001217244790  -0.001428791423
  14  Al  1.985229175412  3.974594515716  6.108942710691  0.010824453392  0.129783434821  -0.315252674719  -0.001465166541  -0.002307813743  -0.000525304823
  15  Al  2.124872135414  6.079446908062  3.912256122891  -0.420863822557  -0.216105967428  0.556319540229  0.000566163841  -0.000874204647  -0.002118258758
  16  Al  4.214316693283  0.165896181017  0.021267200136  -0.120500407888  -0.470087241107  0.120222896000  0.004172669845  0.003050225803  0.001696183857
  17  Al  3.893183886027  1.888571611695  2.001373240065  0.390496394599  0.292639004521  0.136382293914  -0.002144033080  -0.002514604745  -0.000323459715
  18  Al  6.170425936217  7.959269316358  1.870091769824  -0.208155026091  0.551477620669  0.427287080935  0.000999774079  -0.002262437266  -0.002547468462
  19  Al  6.103895083191  2.153318447952  7.907826276343  -0.077022216832  -0.619831220762  0.837473809622  -0.000211653409  0.000713193304  -0.002546497843
  20  Al  4.081870202008  0.147882173179  4.063528478949  -0.234893213072  -0.441117143075  0.104370855665  -0.000260194949  0.001811157890  0.000473246617
  21  Al  4.093177235080  1.989929916085  6.130925745981  -0.072705946140  0.227458394983  -0.029327707442  0.001165529068  0.000131002081  0.002022948853
  22  Al  6.076698921589  0.045852402664  6.109028618420  -0.124348207250  -0.004906686707  0.052217602355  -0.000256836571  0.002147224672  0.001484904891
  23  Al  6.187701698504  2.051567278029  4.034305815090  -0.201248981662  0.010402669581  0.057167636789  0.001870731915  0.000723269397  0.000654132058
  24  Al  4.098720608719  4.021054345717  0.145627792051  0.003714160428  0.040145193409  -0.683079104087  0.001818883167  -0.000999356663  0.000952974400
  25  Al  4.005475473845  6.229504087564  2.158966221040  0.370214843397  -0.168777639966  -0.476491865993  0.000241817063  0.003298178644  0.001672256864
  26  Al  5.994647359808  4.176532986564  1.929294800754  0.375857252395  -0.400054046631  0.431806326319  -0.001012493966  0.002406340368  -0.000910236023
  27  Al  6.007672903103  6.131391450542  0.118602940585  -0.011164595858  -0.259480987051  -0.860993869887  -0.001838447896  0.000317710134  0.000078832705
  28  Al  4.079580209690  4.122786588076  4.149483609005  -0.109855862719  -0.038644750749  -0.182484419418  0.000351235528  0.001930062794  0.001424753092
  29  Al  3.946731884298  6.116436438548  6.276156729256  0.367948588203  -0.067268058909  -0.212516394577  -0.000579078770  0.000739624939  0.004238499993
  30  Al  6.111504535712  3.920785597687  6.098938727962  -0.132171683995  0.732875135098  -0.349811037906  0.000513719629  -0.000936849810  -0.000447720203
  31  Al  6.197355370582  6.025725794092  4.014614803313  -0.321048079721  0.207394491150  0.036453709142  0.001907359262  -0.000400655236  -0.001488563171


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)
  -66.548885049674  -0.132493287881  1.785825627951
  -0.132493287881  -68.383097682951  -1.213406634741
  1.785825627951  -1.213406634741  -59.333769010539
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.973146409003  8.056032534133  8.006608618934  0.398999320292  0.011281604834  0.015219392116  -0.001522826008  -0.001053344790  -0.003048030641
  1  Al  8.052737621506  1.936008661557  1.880748968955  0.207048170473  0.263821606476  0.115023491072  0.000023267798  -0.001215320701  -0.003581648067
  2  Al  1.941967540943  7.971724443535  1.968718567273  0.000847327615  0.678725111158  0.283269505266  -0.002018598914  -0.001186837777  -0.000176823161
  3  Al  1.927763098456  1.973500160426  8.045974453810  -0.001656744039  -0.048903088416  0.109718443231  -0.002673597633  -0.001665532728  -0.001955699836
  4  Al  0.048907445369  7.994629729301  4.229441883174  0.115822827995  0.296625144909  -0.736875864530  0.002285433451  -0.001846352439  0.001554669133
  5  Al  0.018902385490  2.013416235516  6.142367562626  -0.055117643389  -0.068478383792  -0.343760270205  0.000394998906  -0.000767643697  0.000421280028
  6  Al  1.977833599692  0.005821376493  6.054308318343  0.196482654716  -0.025514016681  0.204241520417  -0.000971077570  0.000942252040  0.000300219151
  7  Al  2.008044839133  2.041552476397  4.141001381301  -0.035547227587  -0.136785134299  -0.276106305514  -0.000728626803  -0.000305141242  0.001808324357
  8  Al  8.035557338752  4.163079090144  7.929745579200  0.027143364580  -0.318884518571  0.469095077871  -0.001731591434  0.001533961862  -0.002621550741
  9  Al  0.040700525543  6.054573162665  2.024651865145  -0.192144361782  -0.002960546165  0.005791210295  0.000480029256  -0.000611987458  0.000411932894
  10  Al  2.093527058006  3.942481310095  2.034707974074  -0.322777188316  0.267749450057  0.317654060974  0.000434242003  -0.000631488902  0.002005982831
  11  Al  2.041684299485  6.122175226160  0.173062124290  -0.071677797001  -0.153384565146  -0.452961642296  -0.000249626284  0.000864477338  0.003771101099
  12  Al  8.056480753060  4.096160875602  3.952552299553  0.353659129240  -0.307708828071  0.222433997565  0.000815608703  0.000267175639  -0.001264397915
  13  Al  0.006730123633  6.024773832177  5.962938583465  -0.109460576228  0.034773484429  0.412409350797  -0.000288732021  -0.001211734491  -0.001356285237
  14  Al  1.984496894804  3.973446124726  6.108665901638  0.015717800009  0.136014537545  -0.314786153599  -0.001463524648  -0.002285197910  -0.000581906316
  15  Al  2.125136474887  6.079000037773  3.911221598846  -0.419700766392  -0.216947146529  0.566589095467  0.000491281729  -0.000913365530  -0.002018903899
  16  Al  4.216398157885  0.167400658388  0.022120875740  -0.124482554575  -0.477587249219  0.113797115789  0.004152846457  0.002967006032  0.001717957259
  17  Al  3.892129059398  1.887327079217  2.001217566447  0.392141561366  0.296781206099  0.137791290876  -0.002075118707  -0.002463153279  -0.000299104124
  18  Al  6.170916642437  7.958162468796  1.868836820144  -0.204888583410  0.563380461219  0.430447953044  0.000963338166  -0.002163874292  -0.002472040211
  19  Al  6.103785787447  2.153647426567  7.906590147292  -0.072802284695  -0.622543250409  0.848939678762  -0.000225156666  0.000602454041  -0.002396967187
  20  Al  4.081729572715  0.148768258320  4.063769826121  -0.233542379399  -0.440802016395  0.110102365302  -0.000302213219  0.001733199408  0.000492661493
  21  Al  4.093756893818  1.990005600635  6.131936159634  -0.075055641569  0.227772317555  -0.033384900068  0.001152897914  0.000171775041  0.002018351045
  22  Al  6.076564913222  0.046926061205  6.109773588601  -0.128916964015  -0.010315916881  0.049575694079  -0.000279612238  0.002146935557  0.001494748849
  23  Al  6.188628300045  2.051929467164  4.034635517383  -0.202324579912  0.010705157727  0.053518351700  0.001835577704  0.000725518028  0.000664356409
  24  Al  4.099630441252  4.020556338278  0.146073863708  -0.000290582184  0.041578971754  -0.688521305917  0.001820097484  -0.000992547723  0.000830799244
  25  Al  4.005612960751  6.231146040449  2.159781257253  0.374647041836  -0.167767476741  -0.482429728348  0.000308544695  0.003269730967  0.001587343332
  26  Al  5.994157788301  4.177718572051  1.928858871767  0.380805442019  -0.409682697688  0.434852845060  -0.000945337367  0.002335133744  -0.000833192283
  27  Al  6.006752952754  6.131538746191  0.118603880570  -0.012246837309  -0.260424086813  -0.872543739960  -0.001841459332  0.000271377920  -0.000076143990
  28  Al  4.079750960372  4.123750130744  4.150188004753  -0.108809524158  -0.042047740539  -0.178810952915  0.000331857449  0.001923810814  0.001393156794
  29  Al  3.946458720471  6.116803335624  6.278267003992  0.366991738963  -0.066411842261  -0.210578286711  -0.000513648218  0.000728040339  0.004202782404
  30  Al  6.111755551028  3.920349816184  6.098699176066  -0.134560531377  0.739568951025  -0.353200191427  0.000490124456  -0.000805648980  -0.000510808282
  31  Al  6.198294935349  6.025534687387  4.013871967115  -0.324303611764  0.208370499829  0.043488901806  0.001850603103  -0.000363676830  -0.001482157804


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)
  -66.278126303628  -0.127703650932  1.860651778649
  -0.127703650932  -68.108761108219  -1.151772728474
  1.860651778649  -1.151772728474  -59.065174906038
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.972402635790  8.055506230909  8.005084892942  0.403070602014  0.008516946518  0.022907260135  -0.001451891342  -0.001052119785  -0.003046199562
  1  Al  8.052758513369  1.935412638047  1.878962827009  0.206611498979  0.266150308750  0.120794016444  0.000060270383  -0.001168558525  -0.003562415264
  2  Al  1.940958020433  7.971161211178  1.968642795056  -0.000986715145  0.686109895080  0.287803835640  -0.002019656633  -0.001065405197  -0.000125847841
  3  Al  1.926425882639  1.972664994472  8.045001257408  -0.000431671462  -0.048193620581  0.120232400201  -0.002675168805  -0.001675077804  -0.001936149711
  4  Al  0.050055632488  7.993719575286  4.230186479073  0.112499177043  0.299118574749  -0.743805444782  0.002307034030  -0.001794035531  0.001423067740
  5  Al  0.019097471871  2.013029254243  6.142562890718  -0.057516892954  -0.067237294683  -0.350872095526  0.000385131364  -0.000780177245  0.000359382318
  6  Al  1.977356719050  0.006291482909  6.054467595951  0.201686167654  -0.034493961320  0.203560972502  -0.000935975101  0.000937373878  0.000336841380
  7  Al  2.007678843322  2.041393752389  4.141893433582  -0.035689401941  -0.136944177867  -0.283904008537  -0.000735374262  -0.000329776844  0.001759183132
  8  Al  8.034692534221  4.163832013814  7.928455435942  0.031252829738  -0.319779543938  0.475363473706  -0.001727266131  0.001477645144  -0.002538452242
  9  Al  0.040932012961  6.054266958100  2.024858143296  -0.194223454351  -0.001950121693  0.005173630217  0.000445727794  -0.000612743477  0.000413126703
  10  Al  2.093729806684  3.942177452947  2.035725421821  -0.325054238488  0.263895089405  0.317700470744  0.000376536068  -0.000584274840  0.002063836627
  11  Al  2.041556250351  6.122600719481  0.174927911339  -0.070157970742  -0.157334550070  -0.462464828620  -0.000262438871  0.000837139653  0.003691193975
  12  Al  8.056904470466  4.096280743219  3.951929881130  0.352967412606  -0.310812058166  0.220523360880  0.000879219440  0.000212004220  -0.001225442222
  13  Al  0.006580827738  6.024169363863  5.962278701424  -0.108742177623  0.036721042094  0.413430453787  -0.000308393795  -0.001205968713  -0.001283138769
  14  Al  1.983765647332  3.972309312448  6.108360803010  0.017736143219  0.145110577642  -0.318535628007  -0.001461290939  -0.002261242264  -0.000638840935
  15  Al  2.125363418295  6.078533540391  3.910237214258  -0.421409640662  -0.217752247727  0.573541008294  0.000416321814  -0.000952710445  -0.001917995877
  16  Al  4.218469549477  0.168863194007  0.022985161424  -0.130666608485  -0.488097163899  0.110790033763  0.004132180740  0.002882188341  0.001738930011
  17  Al  3.891108762454  1.886108452639  2.001074135240  0.389801955439  0.300742110982  0.143382213677  -0.002006269781  -0.002410996622  -0.000274115729
  18  Al  6.171389276642  7.957105436992  1.867619723816  -0.198270965930  0.571515542426  0.438117599921  0.000927785406  -0.002063509384  -0.002395650845
  19  Al  6.103669925997  2.153920903406  7.905429303535  -0.065605559397  -0.624884847663  0.861921082177  -0.000237650048  0.000491217695  -0.002245218693
  20  Al  4.081567988080  0.149615376651  4.064021141597  -0.235178220783  -0.443761487035  0.112466084011  -0.000344283939  0.001654996883  0.000512819255
  21  Al  4.094330135698  1.990101691530  6.132944101759  -0.080470867156  0.227975900446  -0.041460604442  0.001139587309  0.000212618194  0.002012703289
  22  Al  6.076419308695  0.047999343254  6.110523370774  -0.130041147012  -0.018824527624  0.042516317353  -0.000302913741  0.002145441450  0.001503757958
  23  Al  6.189537280512  2.052292797758  4.034970173056  -0.199503417274  0.010526823222  0.046918287728  0.001800595670  0.000727792330  0.000673681729
  24  Al  4.100540710471  4.020061795666  0.146458593243  -0.007832053255  0.046257950533  -0.689674290958  0.001820313605  -0.000985207068  0.000707987565
  25  Al  4.005784019263  6.232773826198  2.160553568094  0.375375707778  -0.167320541776  -0.484200759670  0.000375773471  0.003241459619  0.001501726635
  26  Al  5.993702020224  4.178868125784  1.928461606517  0.388063124716  -0.415337186578  0.442150818266  -0.000877072623  0.002262567455  -0.000755199744
  27  Al  6.005831439453  6.131662829098  0.118526796417  -0.010537915453  -0.260758006393  -0.879525782400  -0.001844450334  0.000224912968  -0.000232858086
  28  Al  4.079912067917  4.124710403400  4.150876769066  -0.111491081880  -0.042139535979  -0.178906632455  0.000312329428  0.001917278738  0.001361890139
  29  Al  3.946218234875  6.117164480594  6.280359521515  0.362351463533  -0.065523502424  -0.212548125278  -0.000448694403  0.000716619321  0.004167121577
  30  Al  6.111994661317  3.919979946819  6.098427918482  -0.133757719040  0.748324837522  -0.360350970508  0.000466384524  -0.000673014776  -0.000574880407
  31  Al  6.199205978024  6.025362116409  4.013132642034  -0.323848363688  0.210178776046  0.046955851739  0.001793601911  -0.000326437368  -0.001474837475


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)
  -66.012687317509  -0.121525576680  1.938060286545
  -0.121525576680  -67.838012110957  -1.086432592016
  1.938060286545  -1.086432592016  -58.814040340737
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.971694514202  8.054980411841  8.003562412116  0.405213935204  0.008487532173  0.028089807691  -0.001380390816  -0.001051163754  -0.003043273820
  1  Al  8.052797892033  1.934840100248  1.877186545204  0.203636479284  0.268857100039  0.122050516426  0.000096988523  -0.001121343353  -0.003542610857
  2  Al  1.939947879498  7.970659035800  1.968592719132  -0.001349509892  0.695663082577  0.287822116837  -0.002020949296  -0.000942413954  -0.000074440899
  3  Al  1.925087923278  1.971825078631  8.044038299487  0.002411147455  -0.047567438621  0.127646981445  -0.002676427291  -0.001684539938  -0.001915022415
  4  Al  0.051214484895  7.992835689496  4.230864954304  0.107178280856  0.303848835572  -0.746892555443  0.002327916308  -0.001741078771  0.001290527964
  5  Al  0.019287517772  2.012636056413  6.142726945800  -0.062266823144  -0.065655459222  -0.353692168205  0.000374626550  -0.000792479620  0.000296570578
  6  Al  1.976897622360  0.006758752604  6.054645160526  0.208254442539  -0.040672845644  0.207359348642  -0.000899819033  0.000931155196  0.000373768052
  7  Al  2.007309463120  2.041222698767  4.142760568624  -0.034167098628  -0.137005192980  -0.288171474839  -0.000742015675  -0.000354451307  0.001708970134
  8  Al  8.033830068506  4.164556738808  7.927207120910  0.032935770803  -0.323393886002  0.478763037471  -0.001722453016  0.001420923247  -0.002454493070
  9  Al  0.041146254399  6.053960417728  2.025064992832  -0.198325163007  -0.001074594632  0.000673923194  0.000410863911  -0.000613342756  0.000413871296
  10  Al  2.093903594971  3.941897033863  2.036771815618  -0.325565252953  0.257297336088  0.313566355848  0.000318557462  -0.000537981525  0.002121394156
  11  Al  2.041421859989  6.123012367807  0.176753327059  -0.067211290630  -0.160905407293  -0.475327030986  -0.000274863732  0.000809130740  0.003609314066
  12  Al  8.057359974595  4.096372880327  3.951326854412  0.349615355921  -0.316173946590  0.221539196393  0.000942518622  0.000156050715  -0.001186569026
  13  Al  0.006421729104  6.023567860591  5.961655441639  -0.110098594886  0.038029716991  0.418517043607  -0.000328128781  -0.001199931364  -0.001209431667
  14  Al  1.983035600384  3.971184877075  6.108027059181  0.020945557441  0.151524743426  -0.317968933606  -0.001458616016  -0.002235929488  -0.000696102187
  15  Al  2.125552797692  6.078047325059  3.909303598400  -0.421561300548  -0.218550761949  0.582679116894  0.000341163822  -0.000992237401  -0.001815631854
  16  Al  4.220530348469  0.170282853596  0.023859809894  -0.135710818815  -0.495434446253  0.104567366146  0.004110577676  0.002795784112  0.001759121130
  17  Al  3.890122784837  1.884916076851  2.000943450065  0.389857688361  0.305000472351  0.144874545552  -0.001937626473  -0.002358122758  -0.000248485898
  18  Al  6.171844430053  7.956098954496  1.866441163592  -0.193138866223  0.581959164116  0.441193182634  0.000893282029  -0.001961468949  -0.002318305328
  19  Al  6.103548136833  2.154138645433  7.904344923249  -0.059688430039  -0.626501663879  0.871890963260  -0.000248981795  0.000379577953  -0.002091379982
  20  Al  4.081385287956  0.150423259145  4.064282646598  -0.234480141290  -0.443677107252  0.117762980092  -0.000386467164  0.001576527113  0.000533682317
  21  Al  4.094896483841  1.990218219335  6.133948867718  -0.083733048272  0.228299726396  -0.045594490221  0.001125515127  0.000253534037  0.002005998538
  22  Al  6.076261998760  0.049071507766  6.111277350142  -0.132576077348  -0.024388383612  0.039118616983  -0.000326560429  0.002142728447  0.001511864955
  23  Al  6.190428900005  2.052657261228  4.035309200717  -0.198593269475  0.010786297926  0.043371282468  0.001765962683  0.000730088757  0.000682117234
  24  Al  4.101450759194  4.019571128863  0.146781852960  -0.013238942938  0.047900121434  -0.693921065258  0.001819406145  -0.000977315788  0.000584641567
  25  Al  4.005988735117  6.234387507791  2.161282987466  0.377961259436  -0.166505663421  -0.489310227448  0.000443341120  0.003213347090  0.001415477728
  26  Al  5.993280713588  4.179981144896  1.928103670224  0.394032498446  -0.423752029938  0.445090700830  -0.000807605553  0.002188747277  -0.000676264766
  27  Al  6.004908498026  6.131763659695  0.118371021930  -0.009634912492  -0.261306343898  -0.889205818857  -0.001847243992  0.000178348848  -0.000391149163
  28  Al  4.080063290544  4.125667414049  4.151549898136  -0.111517927157  -0.045177022318  -0.175538768138  0.000292554784  0.001910499401  0.001330925191
  29  Al  3.946010025000  6.117519956652  6.282434135497  0.359778915555  -0.064798417322  -0.211133575074  -0.000384359765  0.000705350020  0.004131470568
  30  Al  6.112221936663  3.919676799805  6.098124294290  -0.134118790754  0.753800032701  -0.363230643498  0.000442680338  -0.000539050691  -0.000639894070
  31  Al  6.200088541534  6.025208249241  4.012397126127  -0.324845072813  0.211086449038  0.053409669162  0.001736555938  -0.000288941535  -0.001466653840


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)
  -65.759305999835  -0.116129490541  2.014019849716
  -0.116129490541  -67.574759666675  -1.017520503644
  2.014019849716  -1.017520503644  -58.570104214750
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.971022241636  8.054455064613  8.002041611763  0.408291717692  0.006978813754  0.035146701731  -0.001308410643  -0.001050364773  -0.003039309953
  1  Al  8.052855502127  1.934291291983  1.875420207585  0.202295671938  0.270896221619  0.126676030621  0.000133342626  -0.001073699356  -0.003522337129
  2  Al  1.938937066251  7.970218794946  1.968568353978  -0.002632885375  0.702780622003  0.291181292070  -0.002022428373  -0.000817882723  -0.000022705271
  3  Al  1.923749448876  1.970980450460  8.043086230362  0.004237782233  -0.046967517947  0.136859604497  -0.002677319890  -0.001693929690  -0.001892433186
  4  Al  0.052383554425  7.991978492304  4.231477010158  0.103115916341  0.306869690170  -0.751965290937  0.002348015248  -0.001687433119  0.001157210698
  5  Al  0.019472099327  2.012236772706  6.142859462013  -0.065771013548  -0.064428345783  -0.359525915450  0.000363385016  -0.000804552624  0.000232956321
  6  Al  1.976456897841  0.007222640357  6.054841364907  0.213398624211  -0.048210949564  0.207346758937  -0.000862612981  0.000923724225  0.000411060554
  7  Al  2.006936825852  2.041039300225  4.143602407849  -0.033988560625  -0.137171371335  -0.294455677094  -0.000748522755  -0.000379166315  0.001657818693
  8  Al  8.032970077040  4.165252940497  7.926000936936  0.036296477111  -0.325387072222  0.483739261811  -0.001717219061  0.001363695991  -0.002369785804
  9  Al  0.041342877865  6.053653613860  2.025272015593  -0.200815395068  0.000208267855  -0.000623874450  0.000375399334  -0.000613761035  0.000414105742
  10  Al  2.094048364917  3.941639470121  2.037846821108  -0.326924564120  0.252550281071  0.312405078911  0.000260386007  -0.000492687677  0.002178549999
  11  Al  2.041281385954  6.123409852178  0.178537234134  -0.065373229099  -0.164245098224  -0.484868969000  -0.000286872744  0.000780503974  0.003525454723
  12  Al  8.057846991368  4.096436794311  3.950743309236  0.347884117780  -0.319666751191  0.220659657459  0.001005415761  0.000099277798  -0.001147685015
  13  Al  0.006252698163  6.022969429598  5.961069266833  -0.109988043170  0.040145732704  0.419753027758  -0.000347992208  -0.001193607327  -0.001135141957
  14  Al  1.982307027788  3.970073377553  6.107664699140  0.023007090349  0.159143448980  -0.320622524856  -0.001455496070  -0.002209390603  -0.000753594593
  15  Al  2.125704582942  6.077541300590  3.908421578014  -0.422669850145  -0.218883626478  0.589185925732  0.000265858588  -0.001031906021  -0.001711847478
  16  Al  4.222580137093  0.171658984880  0.024744286807  -0.141529524487  -0.504323704373  0.100550946173  0.004088069715  0.002707934907  0.001778441165
  17  Al  3.889171131295  1.883750324179  2.000825648741  0.388049001606  0.308790158144  0.149325032674  -0.001869139345  -0.002304545250  -0.000222315371
  18  Al  6.172282560832  7.955143963300  1.865301412882  -0.186744289756  0.590008460197  0.447176414201  0.000859807591  -0.001857756434  -0.002240151655
  19  Al  6.103420943600  2.154300482277  7.903337918495  -0.052629157315  -0.628139250052  0.882380530629  -0.000259164068  0.000267593447  -0.001935667521
  20  Al  4.081181519981  0.151191907576  4.064554825205  -0.235176858930  -0.445454373192  0.120763777532  -0.000428680669  0.001497893135  0.000555308957
  21  Al  4.095455653547  1.990355226179  6.134950105148  -0.088372488274  0.228160350830  -0.052542026999  0.001110750105  0.000294493551  0.001998337393
  22  Al  6.076092747476  0.050142076883  6.112035239385  -0.133671356943  -0.031375637753  0.032714660394  -0.000350550883  0.002138932408  0.001519128676
  23  Al  6.191303247465  2.053022888280  4.035652291940  -0.196092908808  0.010406221053  0.038163932520  0.001731649405  0.000732389563  0.000689787489
  24  Al  4.102360121015  4.019084477515  0.147043236225  -0.020100669331  0.051204464750  -0.695183873397  0.001817435738  -0.000968996480  0.000460746651
  25  Al  4.006227361456  6.235987181058  2.161969049244  0.378611462319  -0.165645081268  -0.491263057917  0.000511243474  0.003185430251  0.001328577139
  26  Al  5.992894412718  4.181056878354  1.927785340116  0.400427837062  -0.429631376700  0.450839970106  -0.000737010222  0.002113650231  -0.000596522538
  27  Al  6.003984190994  6.131841178378  0.118135646309  -0.007840279031  -0.261084425455  -0.895437864376  -0.001849833133  0.000131733505  -0.000550957071
  28  Al  4.080204623409  4.126620907421  4.152207697475  -0.113447170199  -0.046375551779  -0.174835897087  0.000272599991  0.001903373955  0.001300332709
  29  Al  3.945833874180  6.117869832320  6.284491002074  0.355684540883  -0.063672726895  -0.212537522947  -0.000320593498  0.000694253507  0.004095879744
  30  Al  6.112437342726  3.919440894824  6.097788022865  -0.133222946983  0.759865131605  -0.368526338576  0.000419019461  -0.000403991727  -0.000705686509
  31  Al  6.200942538162  6.025073174176  4.011665984648  -0.324309048318  0.212654995476  0.057520229331  0.001679470696  -0.000251209293  -0.001457548964


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)
  -65.511537944648  -0.110654886249  2.093467485990
  -0.110654886249  -67.316587346305  -0.945921881925
  2.093467485990  -0.945921881925  -58.343574166563
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.970386100350  8.053930044493  8.000523094709  0.409208548278  0.006709951055  0.039520344536  -0.001236057813  -0.001049744576  -0.003034380336
  1  Al  8.052931234986  1.933766398259  1.873664199437  0.198171530245  0.274695711250  0.127846369205  0.000169231151  -0.001025527032  -0.003501601636
  2  Al  1.937925446165  7.969841151071  1.968570013805  -0.001614963905  0.710574479433  0.291048111150  -0.002023971064  -0.000691963422  0.000029347652
  3  Al  1.922410596823  1.970131144787  8.042145861659  0.008478193952  -0.044741036860  0.142903987461  -0.002677722127  -0.001703104696  -0.001868503357
  4  Al  0.053562505901  7.991148252239  4.232022167840  0.096727295595  0.310917745126  -0.753373642283  0.002367236293  -0.001633157573  0.001023260828
  5  Al  0.019650903679  2.011831501816  6.142959902692  -0.071473052899  -0.061551047398  -0.362150244583  0.000351320873  -0.000816280946  0.000168554232
  6  Al  1.976035007264  0.007682479094  6.055056222088  0.220723609249  -0.054196860636  0.210866015582  -0.000824287488  0.000915097496  0.000448695659
  7  Al  2.006560938529  2.040843531522  4.144418391382  -0.031335818829  -0.136048602731  -0.297115706578  -0.000754794775  -0.000403817072  0.001605870495
  8  Al  8.032112845233  4.165920438143  7.924837329295  0.037342686892  -0.328933730532  0.485898175154  -0.001711621207  0.001305967304  -0.002284438332
  9  Al  0.041521654653  6.053346655187  2.025479099590  -0.205451994875  0.000059602472  -0.004923012060  0.000339284635  -0.000614089972  0.000413847807
  10  Al  2.094163981617  3.941404344978  2.038950370960  -0.325595892070  0.246506601010  0.307549775550  0.000202183951  -0.000448342697  0.002235242173
  11  Al  2.041134986541  6.123792873695  0.180278790428  -0.061096480773  -0.168845286271  -0.497781679459  -0.000298347264  0.000751166064  0.003439608013
  12  Al  8.058365392822  4.096472158369  3.950179166583  0.343241471223  -0.324374575886  0.222679750744  0.001067797881  0.000041741358  -0.001108699181
  13  Al  0.006073736042  6.022374250337  5.960520296898  -0.111987593235  0.040524262393  0.424290471177  -0.000368042506  -0.001187079680  -0.001060315871
  14  Al  1.981580100744  3.968975481054  6.107273462740  0.027208045112  0.165396661753  -0.319496464445  -0.001451842432  -0.002181638863  -0.000811270649
  15  Al  2.125818656933  6.077015416507  3.907591746724  -0.421297591421  -0.220456637455  0.597908120661  0.000190539495  -0.001071787420  -0.001606675615
  16  Al  4.224618428210  0.172990795144  0.025638255420  -0.146113207479  -0.511298105662  0.093284406743  0.004064697707  0.002618669698  0.001796797471
  17  Al  3.888253640909  1.882611525950  2.000721134149  0.388981768450  0.314208865812  0.150529486081  -0.001800727908  -0.002250158475  -0.000195628646
  18  Al  6.172704239753  7.954241193506  1.864201006443  -0.182581788573  0.598956556979  0.449726748609  0.000827274894  -0.001752501152  -0.002161233925
  19  Al  6.103288972129  2.154406239536  7.902409250981  -0.047800349112  -0.627494450736  0.889929148685  -0.000268294007  0.000155462016  -0.001778291325
  20  Al  4.080956606235  0.151921155953  4.064837956916  -0.233265344104  -0.445132494670  0.126821136772  -0.000470817681  0.001419113468  0.000577768569
  21  Al  4.096007236671  1.990512713607  6.135947210011  -0.090915582402  0.229393763771  -0.056542619816  0.001095355878  0.000335579740  0.001989731452
  22  Al  6.075911447017  0.051210445419  6.112796482543  -0.137056868648  -0.036690264139  0.028847880876  -0.000374962362  0.002134075414  0.001525507364
  23  Al  6.192160553657  2.053389652586  4.035998989898  -0.196290237501  0.011464247618  0.035968831917  0.001697556105  0.000734766432  0.000696813430
  24  Al  4.103268199388  4.018602130008  0.147242600740  -0.024957945143  0.052964357198  -0.699391897423  0.001814451325  -0.000960238302  0.000336301355
  25  Al  4.006499979844  6.237572945853  2.162611567863  0.381148754675  -0.166004287096  -0.495869325232  0.000579479126  0.003157603954  0.001241066520
  26  Al  5.992543701558  4.182094800311  1.927507146223  0.404726258671  -0.437187719419  0.452879127755  -0.000665432916  0.002037350041  -0.000516050262
  27  Al  6.003058660357  6.131895393523  0.117820063508  -0.007873275728  -0.262451834667  -0.904204788004  -0.001852301911  0.000084991915  -0.000712207246
  28  Al  4.080335891204  4.127570792672  4.152850234034  -0.112695052638  -0.049357014309  -0.170642472545  0.000252533915  0.001895907426  0.001270185885
  29  Al  3.945689430716  6.118214211861  6.286530025285  0.353734235966  -0.064064303794  -0.211131078924  -0.000257337916  0.000683229770  0.004060348086
  30  Al  6.112640957152  3.919272807087  6.097418606051  -0.134418957202  0.764054017869  -0.370377159122  0.000395326453  -0.000267947242  -0.000772168843
  31  Al  6.201768016348  6.024957039332  4.010939573589  -0.325870401771  0.212401428521  0.064502201817  0.001622293910  -0.000213342976  -0.001447475125


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)
  -65.275081838839  -0.104184224670  2.170782367380
  -0.104184224670  -67.065705093523  -0.870837920096
  2.170782367380  -0.870837920096  -58.126835301150
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.969786180751  8.053405317429  7.999007223886  0.412102187768  0.005509127203  0.047378272823  -0.001163346072  -0.001049275957  -0.003028413308
  1  Al  8.053024733698  1.933265762403  1.871918597249  0.196369510661  0.276752200664  0.130894526821  0.000204614016  -0.000976822899  -0.003480545196
  2  Al  1.936913090157  7.969526829804  1.968597701702  -0.002349199963  0.716754677328  0.292342974209  -0.002025528837  -0.000564734365  0.000081535472
  3  Al  1.921071720095  1.969277341532  8.041217722363  0.010717576318  -0.043978670748  0.152490907210  -0.002677597461  -0.001712051066  -0.001843198198
  4  Al  0.054750796600  7.990345330673  4.232500273528  0.091883182492  0.313700665705  -0.758049475011  0.002385510336  -0.001578271334  0.000888708537
  5  Al  0.019823421072  2.011420489732  6.143028016664  -0.075306944629  -0.060245834201  -0.366055326079  0.000338403778  -0.000827658050  0.000103533877
  6  Al  1.975632608304  0.008137740127  6.055290061680  0.225716925334  -0.061214703460  0.212425183836  -0.000784854114  0.000905320730  0.000486815682
  7  Al  2.006182029201  2.040635482149  4.145208282334  -0.030804237242  -0.136112385983  -0.303459065738  -0.000760800450  -0.000428395434  0.001553118161
  8  Al  8.031258451580  4.166558911045  7.923716492928  0.040867976611  -0.331166983689  0.491347695460  -0.001705644712  0.001247713503  -0.002198405198
  9  Al  0.041682163343  6.053039522362  2.025685864428  -0.207926198473  0.001384841206  -0.007727458164  0.000302519556  -0.000614325885  0.000412962562
  10  Al  2.094250549370  3.941191126310  2.040082068835  -0.326253040557  0.241564758686  0.304057929372  0.000144011863  -0.000404962938  0.002291264724
  11  Al  2.040983037949  6.124161020108  0.181976850693  -0.059102625902  -0.171891165633  -0.506105993110  -0.000309273569  0.000721141919  0.003351879169
  12  Al  8.058914791902  4.096478535773  3.949634607299  0.340569724551  -0.327629767766  0.221075335406  0.001129583247  -0.000016540013  -0.001069675042
  13  Al  0.005884654743  6.021782346968  5.960008948327  -0.111937800253  0.042815468866  0.426419681902  -0.000388286080  -0.001180332667  -0.000984870574
  14  Al  1.980855181749  3.967891733269  6.106853426475  0.029194481616  0.172421910424  -0.319982243579  -0.001447661712  -0.002152726085  -0.000868939027
  15  Al  2.125895122911  6.076469510507  3.906814898407  -0.421662116054  -0.220494156329  0.602543824089  0.000115270199  -0.001111857107  -0.001500279101
  16  Al  4.226644844900  0.174277661084  0.026541088743  -0.152433373518  -0.519338859327  0.089814938204  0.004040416367  0.002528060713  0.001814239542
  17  Al  3.887370398913  1.881500160113  2.000630019608  0.387243322615  0.317920042560  0.153224485820  -0.001732383701  -0.002194967415  -0.000168581426
  18  Al  6.173109837782  7.953391457793  1.863140173587  -0.176229953261  0.606303549799  0.453956599414  0.000795679595  -0.001645761359  -0.002081705952
  19  Al  6.103152648927  2.154455944679  7.901559622752  -0.040730770416  -0.628065953518  0.899821201298  -0.000276370501  0.000043274607  -0.001619298199
  20  Al  4.080710701130  0.152611024570  4.065132595210  -0.233280092137  -0.446409909719  0.128926229268  -0.000512818912  0.001340230013  0.000600982541
  21  Al  4.096551012147  1.990690806753  6.136939841544  -0.095364666387  0.228902098527  -0.061879328085  0.001079348769  0.000376762844  0.001980324360
  22  Al  6.075717784183  0.052276157599  6.113560750540  -0.137994581270  -0.043126957797  0.023372878923  -0.000399782051  0.002128206405  0.001531084193
  23  Al  6.193000807788  2.053757656538  4.036349107102  -0.194023541676  0.010918509930  0.030212798285  0.001663661093  0.000737204861  0.000703146057
  24  Al  4.104174576849  4.018124236827  0.147379538415  -0.031960538988  0.055725691198  -0.699168837135  0.001810440041  -0.000951089450  0.000211433499
  25  Al  4.006806842021  6.239144792858  2.163210118848  0.381192545812  -0.164997138119  -0.498704701406  0.000647996820  0.003129881028  0.001152863501
  26  Al  5.992228978148  4.183094233457  1.927269288573  0.410483793456  -0.442746456009  0.456751430017  -0.000592927492  0.001959872213  -0.000435012373
  27  Al  6.002131884481  6.131926170504  0.117423437293  -0.005830516898  -0.261778517174  -0.908293545837  -0.001854628601  0.000038162584  -0.000874715265
  28  Al  4.080457157951  4.128516819559  4.153477886517  -0.114139485316  -0.050800135170  -0.170589450045  0.000232399128  0.001888077904  0.001240425995
  29  Al  3.945576535625  6.118553063787  6.288551360249  0.349425664051  -0.062792705951  -0.211151433312  -0.000194610079  0.000672291634  0.004024998943
  30  Al  6.112832670162  3.919172946917  6.097015852103  -0.133291060990  0.768399981506  -0.373508158909  0.000371621224  -0.000131065200  -0.000839150647
  31  Al  6.202564836103  6.024859830670  4.010218505926  -0.325146147354  0.213716776991  0.067618124054  0.001565040530  -0.000175363734  -0.001436520664


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)
  -65.046607557312  -0.097533389984  2.249560050314
  -0.097533389984  -66.821091097605  -0.792119902235
  2.249560050314  -0.792119902235  -57.924121166343
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.969222751352  8.052880765897  7.997494673784  0.414029157248  0.004944892787  0.053099013732  -0.001090182278  -0.001048985633  -0.003021288218
  1  Al  8.053135849516  1.932789572902  1.870183645487  0.193499143265  0.279714476974  0.133203516881  0.000239604472  -0.000927659819  -0.003459065734
  2  Al  1.935899912233  7.969276415286  1.968651549482  -0.001983781867  0.722909898046  0.292920533695  -0.002027160561  -0.000436336448  0.000133923891
  3  Al  1.919732992627  1.968419089415  8.040302658825  0.014411698423  -0.042187338636  0.159455726800  -0.002676995016  -0.001720808305  -0.001816433996
  4  Al  0.055948022237  7.989569976935  4.232910878613  0.086428426646  0.316952128583  -0.760032622144  0.002402921567  -0.001522843472  0.000753496991
  5  Al  0.019989308308  2.011003841684  6.143063436830  -0.080099321393  -0.057882968137  -0.369265056340  0.000324714143  -0.000838730362  0.000037840012
  6  Al  1.975250151176  0.008587802101  6.055543038995  0.231781355785  -0.067304716075  0.214551132016  -0.000744423554  0.000894383748  0.000525297914
  7  Al  2.005800136165  2.040415135011  4.145971513450  -0.029112824683  -0.135395071647  -0.307057849376  -0.000766625994  -0.000452938673  0.001499475538
  8  Al  8.030407196231  4.167168154784  7.922638918567  0.043316612755  -0.334154265109  0.494237735921  -0.001699164081  0.001188982292  -0.002111617725
  9  Al  0.041824174970  6.052732327757  2.025892063191  -0.211046696247  0.001951350993  -0.011082107107  0.000265237917  -0.000614404906  0.000411534154
  10  Al  2.094307993842  3.940999381021  2.041241641447  -0.325343457262  0.236023260001  0.299654135016  0.000085830035  -0.000362502455  0.002346660330
  11  Al  2.040825712194  6.124514017427  0.183630678027  -0.055938893822  -0.175622710486  -0.516500854546  -0.000319751362  0.000690507792  0.003262489537
  12  Al  8.059494978910  4.096455618314  3.949109488850  0.336753552356  -0.331435773939  0.221882563674  0.001190848084  -0.000075488398  -0.001030719743
  13  Al  0.005685448986  6.021193914701  5.959535423847  -0.112666433553  0.044070071387  0.429251286650  -0.000408610268  -0.001173287810  -0.000908955508
  14  Al  1.980132435390  3.966822749554  6.106404521528  0.032356912245  0.178614114496  -0.319519009143  -0.001443046625  -0.002122656374  -0.000926661447
  15  Al  2.125933927421  6.075903556604  3.906091463849  -0.420750217189  -0.221104362716  0.608949548587  0.000040006636  -0.001152030907  -0.001392860525
  16  Al  4.228658854740  0.175518862215  0.027452499526  -0.158402474440  -0.526167405960  0.083825024490  0.004015101203  0.002436117202  0.001830882083
  17  Al  3.886521252850  1.880416553014  2.000552552299  0.386536055594  0.322752586960  0.155135458804  -0.001664251132  -0.002139022332  -0.000141109290
  18  Al  6.173499921349  7.952595428008  1.862119295255  -0.170927682443  0.613700554157  0.456996373608  0.000765123112  -0.001537671060  -0.002001520947
  19  Al  6.103012600933  2.154449514251  7.900789948710  -0.034864051512  -0.627034346952  0.906618645648  -0.000283300484  -0.000068938610  -0.001458748481
  20  Al  4.080443786033  0.153261389337  4.065438940969  -0.232406057149  -0.446603143422  0.133433669452  -0.000554778821  0.001261193848  0.000624813759
  21  Al  4.097086588154  1.990889477399  6.137927539352  -0.099073992300  0.229310129058  -0.066512434386  0.001062623731  0.000417970806  0.001970059145
  22  Al  6.075511663961  0.053338657177  6.114327570587  -0.140053642068  -0.048574019493  0.018309071381  -0.000424892635  0.002121313177  0.001535752194
  23  Al  6.193824218935  2.054126859302  4.036702137724  -0.193025012385  0.011312715483  0.027017096427  0.001630070470  0.000739645781  0.000708695879
  24  Al  4.105078643983  4.017651038165  0.147454034771  -0.038165517709  0.057579095923  -0.700951060208  0.001805280994  -0.000941541182  0.000086354917
  25  Al  4.007147978294  6.240702834754  2.163764434264  0.381648142331  -0.164844467609  -0.501712260397  0.000716613391  0.003102306915  0.001064107436
  26  Al  5.991950772575  4.184054677453  1.927072132756  0.414838885139  -0.448916652324  0.459322913747  -0.000519485619  0.001881337402  -0.000353357851
  27  Al  6.001204027090  6.131933556203  0.116945346043  -0.004561651184  -0.262067755159  -0.913912796458  -0.001856697199  -0.000008659951  -0.001038206950
  28  Al  4.080568290916  4.129458875326  4.154090663150  -0.114564132884  -0.053256754230  -0.167989967782  0.000212089617  0.001879932218  0.001210909835
  29  Al  3.945494820147  6.118886505186  6.290555034352  0.345921659640  -0.062506974836  -0.210985992407  -0.000132546830  0.000661499439  0.003989720947
  30  Al  6.113012579311  3.919141741557  6.096579453293  -0.133158864624  0.771352334450  -0.375397179735  0.000348021697  0.000006549652  -0.000906638444
  31  Al  6.203333060815  6.024781675157  4.009503049312  -0.325376896713  0.213871117436  0.073055743500  0.001507827605  -0.000137233573  -0.001424823051


