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  -83.332434096786
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)
  -83.336957341345  -0.000381561009  0.000091526179
  -0.000381561009  -83.337528205938  -0.001000840632
  0.000091526179  -0.001000840632  -83.333249838334
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.097783711899  8.099355498429  8.098995829026  0.006559393438  -0.000134747762  -0.004163577923  -0.004424485285  -0.001281510676  -0.002001209656
  1  Al  8.098949512342  2.023499414492  2.023008947464  0.006149621574  0.002978260351  -0.000036654997  -0.002092921032  -0.002999028634  -0.003980232220
  2  Al  2.023739017984  8.097951425702  2.023881463966  0.002544604571  0.000068649202  0.004159394701  -0.002519860417  -0.004089637946  -0.002234824094
  3  Al  2.023656185469  2.024375027668  8.099653553723  0.001571091112  -0.001172947766  -0.007780627560  -0.002685612480  -0.001248173396  -0.000686083623
  4  Al  0.000336337686  8.098419542192  4.053209214523  0.004486654342  0.001432916776  -0.009238585611  0.000673076476  -0.003153283002  0.006421355379
  5  Al  0.000288801365  2.024971590016  6.076215903197  -0.000811615103  -0.001504285758  -0.002800984759  0.000577530172  -0.000055078323  0.002437184372
  6  Al  2.024439888309  8.099643054998  6.074529725625  -0.002952271293  0.007076912396  0.002318588173  -0.001118611185  -0.000705752821  -0.000934713085
  7  Al  2.024851389563  2.025447606255  4.051224429264  -0.001496620734  -0.004078774630  0.001048114178  -0.000295478543  0.000896723999  0.002452704486
  8  Al  8.099135220992  4.051937704886  8.097240809218  0.000518988072  -0.005503664189  0.005561924034  -0.001722007107  0.003878670006  -0.005510379820
  9  Al  0.000627404404  6.074739352292  2.024783549288  0.000854277383  0.000388465582  0.002906928325  0.001254885181  -0.000515632303  -0.000430765418
  10  Al  2.026228138038  4.047679525522  2.024658778750  -0.002809936751  0.014439660686  0.004468385698  0.002457900998  -0.004635905805  -0.000680166901
  11  Al  2.025498093770  6.075660677257  0.002251169361  -0.005072829481  0.001598679111  0.004043328095  0.000997610162  0.001327125819  0.004502700193
  12  Al  8.098841373719  4.050725775900  4.048226133056  0.007398093966  0.001227453588  0.007208397195  -0.002309086665  0.001455413790  -0.003543337206
  13  Al  0.000177022426  6.074269230784  6.073124006661  0.001077588121  0.001538145377  0.005383064967  0.000354141187  -0.001455772538  -0.003745877051
  14  Al  2.024669485306  4.049232817319  6.075825824900  -0.004486393480  -0.004439541387  -0.002927325402  -0.000659554339  -0.001531009998  0.001657016483
  15  Al  2.026986480079  6.075309375769  4.047957981300  -0.008682794398  -0.002856136594  -0.001477392308  0.003974060051  0.000624124586  -0.004080417222
  16  Al  4.052321493574  0.002483393775  8.099877083162  -0.002268411908  -0.000749775776  0.005997490632  0.004646536610  0.004966720520  -0.000237792992
  17  Al  4.047206551266  2.022828073610  2.024670162396  0.010333617325  0.003501860957  -0.001035720694  -0.005582221394  -0.004341663588  -0.000657891672
  18  Al  6.076869679113  8.097912229950  2.022514077710  -0.008572935363  -0.000529868962  0.002914064344  0.003744220197  -0.004168082958  -0.004969707936
  19  Al  6.075808520270  2.027431458463  8.096994516862  -0.007555265701  -0.007679005650  0.000566794003  0.001621993489  0.004864106557  -0.006003411093
  20  Al  4.050726688167  0.002650111085  4.050249316654  -0.002925563185  -0.008682758381  -0.001132404036  0.001456867047  0.005299445938  0.000502284328
  21  Al  4.050531097721  2.024245007768  6.075491783194  0.000870577050  0.002241368368  0.005626079524  0.001066025526  -0.001507907960  0.000989697740
  22  Al  6.075017844167  0.000164888402  6.075269237122  0.000841714359  0.007608896856  0.003236198063  0.000041391967  0.000330457033  0.000544391943
  23  Al  6.076926585312  2.025381617860  4.049277221962  -0.005827098033  -0.001394743026  0.008594759390  0.003858278070  0.000764987160  -0.001441035455
  24  Al  4.050454356828  4.049749511471  0.002707355282  0.002984602470  -0.001682015316  -0.008242006100  0.000912732734  -0.000497375173  0.005413973735
  25  Al  4.049112329185  6.077407531511  2.027282080785  0.001238098194  -0.004946095264  -0.005184845611  -0.001771478689  0.004820249230  0.004565574178
  26  Al  6.073746430789  4.051786307971  2.023333693674  -0.000398881280  0.001586945243  0.001821344823  -0.002501545697  0.003576510069  -0.003330573697
  27  Al  6.074031107264  6.076089231556  0.002193314799  0.001934125550  -0.003878498197  -0.004283880114  -0.001931984178  0.002183744762  0.004386246622
  28  Al  4.050513970294  4.051007449770  4.051840695044  -0.001474052534  -0.000903450199  -0.008941344172  0.001031561064  0.002018571029  0.003684342995
  29  Al  4.047864670841  6.075687536624  6.078191135905  0.012038916950  -0.001539109301  -0.007868056607  -0.004265829790  0.001380564037  0.006387196797
  30  Al  6.075573917837  4.047803682413  6.075436845917  -0.000779727688  0.002908322881  0.003701282149  0.001153394351  -0.004388622916  0.000879651110
  31  Al  6.077026659015  6.074090559934  4.049820375133  -0.005287567546  0.003078880782  -0.004442732400  0.004058473709  -0.001812976498  -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)
  -83.326189577052  -0.001401342080  0.000261166523
  -0.001401342080  -83.328143227117  -0.004230240948
  0.000261166523  -0.004230240948  -83.310838764562
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.095571762458  8.098714737068  8.097995038088  0.011471527784  0.000341559925  -0.009523685812  -0.004422873334  -0.001281492187  -0.002002433288
  1  Al  8.097903326712  2.022000033302  2.021018829716  0.011806062790  0.005428934311  0.000068034217  -0.002091315806  -0.002998277037  -0.003980229415
  2  Al  2.022479201519  8.095906609798  2.022764237842  0.005927978599  -0.001620830321  0.009392549096  -0.002519102975  -0.004089776710  -0.002233612560
  3  Al  2.022313449456  2.023750888540  8.099310164121  0.004091021641  -0.002942016947  -0.017267284797  -0.002685106292  -0.001248541271  -0.000688322888
  4  Al  0.000673076476  8.096842964742  4.056419479250  0.009338803172  0.001654323508  -0.017372633298  0.000674312462  -0.003153007005  0.006418976355
  5  Al  0.000577530172  2.024943983613  6.077434370180  -0.002655855805  -0.002963292054  -0.005572482910  0.000577220183  -0.000055477721  0.002436435790
  6  Al  2.023880450751  8.099290494923  6.074062472722  -0.005791607450  0.015642407946  0.003399594811  -0.001119392882  -0.000703721730  -0.000934201884
  7  Al  2.024703583393  2.025895785934  4.052450828358  -0.002326323541  -0.007945143671  0.003810460047  -0.000295820312  0.000895649069  0.002453138839
  8  Al  8.098274240637  4.053876793877  8.094485867924  -0.000704797405  -0.010674601686  0.009837817252  -0.001722023718  0.003877223680  -0.005509003094
  9  Al  0.001254885181  6.074481553505  2.024568296518  0.001820880426  0.000790587052  0.007377237230  0.001255124338  -0.000515526896  -0.000429846021
  10  Al  2.027456962934  4.045362218067  2.024318895035  -0.004353490046  0.029878832262  0.010196842947  0.002457260593  -0.004631943763  -0.000678855840
  11  Al  2.025996672098  6.076324311626  0.004502700193  -0.009632994865  0.003876025058  0.010868758314  0.000996295472  0.001327615253  0.004504033323
  12  Al  8.097687161079  4.051453537662  4.046454786666  0.014893974043  0.003182583747  0.015013411778  -0.002307093770  0.001455808045  -0.003541350592
  13  Al  0.000354141187  6.073541413270  6.071251308757  0.000964296385  0.002717406640  0.008663972282  0.000354323730  -0.001455392095  -0.003744621256
  14  Al  2.024339507596  4.048467113874  6.076654202291  -0.009170373551  -0.011280314667  -0.007814456967  -0.000660775245  -0.001532415342  0.001656056175
  15  Al  2.028973121987  6.075621310394  4.045917706650  -0.016946816810  -0.005439602939  -0.004937145743  0.003971768782  0.000623382953  -0.004080990677
  16  Al  4.054644660482  0.004966720520  8.099758454752  -0.003399393628  0.000161263380  0.012794581880  0.004646029913  0.004966667907  -0.000236112994
  17  Al  4.044415902478  2.020657398348  2.024341170264  0.020071084705  0.006362398203  -0.002096019971  -0.005579503235  -0.004340781730  -0.000658171647
  18  Al  6.078741406004  8.095828164786  2.020029354000  -0.017861269080  -0.003005144324  0.005292581123  0.003741856998  -0.004168398985  -0.004968974267
  19  Al  6.076619179296  2.029863168493  8.093992836651  -0.015428329644  -0.014847355032  -0.001489336935  0.001619938772  0.004862092717  -0.006003493567
  20  Al  4.051454990919  0.005299445938  4.050500408199  -0.006272971095  -0.017073665263  -0.002895945401  0.001456044705  0.005297143333  0.000501924196
  21  Al  4.051064149398  2.023491153976  6.075986883548  0.002356560207  0.004606555592  0.011050736723  0.001066314030  -0.001507295760  0.000991188636
  22  Al  6.075038577774  0.000330457033  6.075541577751  0.002281812041  0.017131250551  0.006619981471  0.000041671208  0.000332668784  0.000545273078
  23  Al  6.078855463878  2.025764049095  4.048557088417  -0.011796207077  -0.002289649266  0.019417802905  0.003856702559  0.000764657778  -0.001438531152
  24  Al  4.050910856606  4.049500748698  0.005413973735  0.007476864026  -0.004773400471  -0.014954768326  0.000913667982  -0.000497952283  0.005411899960
  25  Al  4.048226645183  6.079817435037  2.029564636114  0.002462293299  -0.009041583483  -0.008916875785  -0.001771147877  0.004818998741  0.004564313494
  26  Al  6.072495640110  4.053574633941  2.021668488239  -0.002252522504  0.004939276380  0.003572258714  -0.002501782731  0.003577093509  -0.003330091513
  27  Al  6.073065201629  6.077180930569  0.004386246622  0.003381259206  -0.007704685148  -0.007092478394  -0.001931508987  0.002182709233  0.004385229583
  28  Al  4.051029684936  4.052016694901  4.053682466866  -0.002844951730  -0.001875918190  -0.017774262146  0.001031174948  0.002018322556  0.003681954639
  29  Al  4.045732294081  6.076377749844  6.081384382605  0.024159281226  -0.002665479508  -0.016397698983  -0.004262593697  0.001380188149  0.006385027456
  30  Al  6.076150580159  4.045609500956  6.075876836918  -0.000916310438  0.003478208999  0.007012000140  0.001153242726  -0.004388051965  0.000880608870
  31  Al  6.079055659517  6.073184209310  4.049642229217  -0.010149484881  0.005951069417  -0.010283545458  0.004057093648  -0.001812169227  -0.000357211173


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)
  -83.307605643030  -0.002449263536  0.000291696099
  -0.002449263536  -83.312353658351  -0.009845969772
  0.000291696099  -0.009845969772  -83.273705709572
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.093360838565  8.098074006241  8.096993395738  0.017907184740  0.000790891512  -0.012799922463  -0.004420246898  -0.001281390947  -0.002004429002
  1  Al  8.096858196536  2.020501137454  2.019028718049  0.019034481506  0.011270263405  0.000942715323  -0.002088558684  -0.002996784141  -0.003980139055
  2  Al  2.021219915010  8.093861648992  2.021647851406  0.008159471724  -0.002589586492  0.015996705546  -0.002517843567  -0.004090153118  -0.002231342779
  3  Al  2.020971079177  2.023126486398  8.098965230835  0.004729154191  -0.001258669354  -0.024146722692  -0.002684317774  -0.001248916809  -0.000692025271
  4  Al  0.001010650148  8.095266535187  4.059628190877  0.015602843938  0.002148682658  -0.027139078508  0.000676542227  -0.003152667019  0.006414997040
  5  Al  0.000866021547  2.024916112295  6.078652338987  -0.002905135123  -0.001846820142  -0.009804964460  0.000576723034  -0.000055907741  0.002435061057
  6  Al  2.023320495427  8.098939333268  6.073595523741  -0.010079859891  0.024199821039  0.002884592601  -0.001120811779  -0.000700159863  -0.000933640082
  7  Al  2.024555569251  2.026343255324  4.053677568103  -0.004027165664  -0.009465199401  0.004489689395  -0.000296388309  0.000894092597  0.002453880866
  8  Al  8.097413197274  4.055814928567  8.091731806123  0.000250743411  -0.016586615354  0.016085246345  -0.001722064310  0.003874786547  -0.005506685591
  9  Al  0.001882528742  6.074223825396  2.024353703267  0.003475791635  -0.001702645624  0.013010927521  0.001255597856  -0.000515608434  -0.000428023334
  10  Al  2.028685398631  4.043047581759  2.023979922910  -0.007208155190  0.044709181395  0.017050933409  0.002456226990  -0.004625275648  -0.000676419908
  11  Al  2.026494389242  6.076988292510  0.006755202684  -0.015398223015  0.002562137773  0.018389146744  0.000994057699  0.001328190820  0.004506648958
  12  Al  8.096534279949  4.052181583945  4.044684782465  0.022919479740  0.004932816204  0.020783101943  -0.002303713274  0.001456533555  -0.003538150409
  13  Al  0.000531346155  6.072813838690  6.069379385406  0.002592092645  0.001319941077  0.010913128053  0.000354641668  -0.001455031159  -0.003742871077
  14  Al  2.024008710062  4.047700401977  6.077481881075  -0.014955029158  -0.017363150640  -0.013027818044  -0.000662932038  -0.001534976047  0.001654192891
  15  Al  2.030958248862  6.075932758722  4.043876990622  -0.026549696864  -0.010635063916  -0.009606769103  0.003967880225  0.000621945889  -0.004082290893
  16  Al  4.056967523487  0.007450061682  8.099640970168  -0.005020213066  0.000522074280  0.021074149111  0.004645277206  0.004966728997  -0.000233085154
  17  Al  4.041627048031  2.018487291880  2.024011990750  0.028523170250  0.012482346720  -0.001941000261  -0.005575158944  -0.004339097024  -0.000658532554
  18  Al  6.080611536111  8.093743830964  2.017545103443  -0.025988434365  -0.004927842701  0.008703312436  0.003737936866  -0.004169108189  -0.004967723045
  19  Al  6.077428459041  2.032293551180  8.090991023295  -0.022510411101  -0.019876659061  -0.001097727773  0.001616547076  0.004858988415  -0.006003724849
  20  Al  4.052182732872  0.007947254418  4.050751240850  -0.011373867867  -0.024975750411  -0.006168496533  0.001454467090  0.005293384145  0.000501113841
  21  Al  4.051597411751  2.022737712008  6.076482971830  0.003078182687  0.009718839425  0.015093468327  0.001066799892  -0.001506015080  0.000993525909
  22  Al  6.075059515374  0.000497557186  6.075814510200  0.004458772710  0.026839840830  0.008996514584  0.000042273811  0.000336599768  0.000546669182
  23  Al  6.080783287871  2.026146275638  4.047838690809  -0.016809524438  -0.000155626685  0.028192101592  0.003854145227  0.000764439172  -0.001434274861
  24  Al  4.051368024810  4.049251559188  0.008119255242  0.010156684317  -0.007647345600  -0.020600247624  0.000915244408  -0.000499062689  0.005408721367
  25  Al  4.047341181308  6.082226530252  2.031846394279  0.002734442774  -0.016380093586  -0.011798954356  -0.001770683292  0.004816726062  0.004562461514
  26  Al  6.071244648058  4.055363401479  2.020003602161  -0.002399149954  0.007875275513  0.007288523624  -0.002502198587  0.003578239120  -0.003329120567
  27  Al  6.072099598277  6.078271940789  0.006578544382  0.005686813878  -0.013802017216  -0.008278271711  -0.001930698308  0.002180786550  0.004383855449
  28  Al  4.051545145242  4.053025772326  4.055522649683  -0.005184875513  -0.002840683647  -0.028429655095  0.001030457088  0.002017900895  0.003677824042
  29  Al  4.043602077144  6.077067724773  6.084576163361  0.034737651304  -0.007001241946  -0.025439911644  -0.004257328354  0.001379323951  0.006381287203
  30  Al  6.076727160563  4.043415630448  6.076317454786  -0.000265903132  0.004296625820  0.008400809617  0.001153137037  -0.004387356900  0.000881986764
  31  Al  6.081083752662  6.072278390707  4.049463163960  -0.013371317108  0.005386274125  -0.018015525904  0.004054990905  -0.001811155676  -0.000359741090


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)
  -83.281666250356  -0.004258689664  0.000500109315
  -0.004258689664  -83.289834348738  -0.017565819671
  0.000500109315  -0.017565819671  -83.220986281274
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.091151515560  8.097433346121  8.095990609085  0.023534723245  0.001266702083  -0.018116307171  -0.004416542021  -0.001281207000  -0.002007192891
  1  Al  8.095814768028  2.019003249161  2.017038690661  0.024749885110  0.013659389155  0.000085858531  -0.002084644393  -0.002994555448  -0.003980047101
  2  Al  2.019961357952  8.091816456680  2.020532895063  0.011846635402  -0.003324209894  0.020062315819  -0.002516055035  -0.004090681807  -0.002228119128
  3  Al  2.019629131681  2.022501971731  8.098618138850  0.007003299139  -0.003341421194  -0.033295054211  -0.002683268901  -0.001249328054  -0.000697160524
  4  Al  0.001349618704  8.093690297723  4.062834476290  0.020176939590  0.002700787066  -0.035186005167  0.000679740914  -0.003152233480  0.006409425222
  5  Al  0.001154253206  2.024888075872  6.079869431237  -0.004255354364  -0.004029151606  -0.011959823474  0.000576082891  -0.000056433049  0.002433115301
  6  Al  2.022759638971  8.098590335060  6.073128832640  -0.012677595150  0.032781248225  0.005217680739  -0.001122846280  -0.000695065797  -0.000932915745
  7  Al  2.024407195084  2.026789878531  4.054904709224  -0.004484161691  -0.013785350316  0.007184906990  -0.000297149216  0.000892014014  0.002454924567
  8  Al  8.096552176327  4.057751580424  8.088979182332  -0.000536836319  -0.022284166849  0.020416115428  -0.001722089887  0.003871311527  -0.005503422396
  9  Al  0.002510483037  6.073965945072  2.024140273184  0.003868907683  -0.000826626533  0.016272878686  0.001256254467  -0.000515834549  -0.000425405383
  10  Al  2.029913189925  4.040736942419  2.023642475127  -0.008626098169  0.059672816780  0.022021650535  0.002454811419  -0.004615943973  -0.000672926847
  11  Al  2.026990729797  6.077652502447  0.009009349151  -0.019680954418  0.004924774565  0.023928702937  0.000990921646  0.001328860145  0.004510432144
  12  Al  8.095383447805  4.052910071218  4.042916636257  0.030214704661  0.006370046660  0.028664148081  -0.002298963116  0.001457544023  -0.003533729861
  13  Al  0.000708782855  6.072086382111  6.067508437680  0.002537987186  0.003216207554  0.015369778871  0.000355100294  -0.001454625630  -0.003740521404
  14  Al  2.023676575558  4.046932137827  6.078308395181  -0.019178753891  -0.023712545823  -0.016666332998  -0.000665983574  -0.001538648184  0.001651538255
  15  Al  2.032941002212  6.076243256283  4.041835415757  -0.034572429977  -0.012924927281  -0.011999497149  0.003962415951  0.000619839643  -0.004084222477
  16  Al  4.059289937688  0.009933449517  8.099525369598  -0.006010975456  0.000824547674  0.027230662542  0.004644291025  0.004966849384  -0.000228766739
  17  Al  4.038840743534  2.016318301325  2.023682637711  0.038432823632  0.015207421027  -0.003800982093  -0.005569173126  -0.004336621578  -0.000659045883
  18  Al  6.082479342870  8.091659056597  2.015061630956  -0.035682511945  -0.006623792916  0.010798771343  0.003732423528  -0.004170140897  -0.004965979572
  19  Al  6.078235726372  2.034722156908  8.087989111802  -0.030962504455  -0.027981831640  -0.002465577010  0.001611766635  0.004854709900  -0.006004043406
  20  Al  4.052909458009  0.010592830083  4.051001522041  -0.014491599424  -0.033359354468  -0.007469988575  0.001452154736  0.005288169029  0.000499894571
  21  Al  4.052130949291  2.021985138896  6.076980409457  0.004921574342  0.011627165165  0.021413007034  0.001067515065  -0.001504106763  0.000996789561
  22  Al  6.075080851586  0.000667056802  6.076088246932  0.004948191354  0.036158784706  0.013049902741  0.000043114787  0.000342231800  0.000548640116
  23  Al  6.082709609105  2.026528488267  4.047122813556  -0.023347719416  -0.001702830899  0.038762003490  0.003850555199  0.000764273027  -0.001428289212
  24  Al  4.051826101014  4.049001686010  0.010822695102  0.014497085147  -0.010551295223  -0.028412575573  0.000917448437  -0.000500689634  0.005404339656
  25  Al  4.046455961890  6.084634161099  2.034127097627  0.004406097368  -0.020364143164  -0.016785272910  -0.001770044933  0.004813441153  0.004559906104
  26  Al  6.069993441523  4.057152873062  2.018339367672  -0.003990912317  0.010600294079  0.008711002672  -0.002502769854  0.003579890823  -0.003327690221
  27  Al  6.071134503322  6.079361717119  0.008770102071  0.006589156046  -0.017090576398  -0.011913908928  -0.001929600845  0.002178024774  0.004382050283
  28  Al  4.052060142024  4.054034595796  4.057360290908  -0.006455109927  -0.003512422812  -0.036858805697  0.001029416481  0.002017332932  0.003671987300
  29  Al  4.041474965727  6.077757073796  6.087765669808  0.046961201308  -0.007828808011  -0.032710921046  -0.004250024535  0.001377998156  0.006376088561
  30  Al  6.077303717196  4.041222144055  6.076758823681  -0.001180406548  0.005431674344  0.011940701581  0.001153007738  -0.004386487197  0.000883805280
  31  Al  6.083110650422  6.071373053634  4.049282488128  -0.018555287748  0.008801595943  -0.023489036017  0.004052136689  -0.001809887291  -0.000363451568


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)
  -83.248712132323  -0.006496157440  0.000809880222
  -0.006496157440  -83.261273849169  -0.027458739043
  0.000809880222  -0.027458739043  -83.153427209315
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.088944296543  8.096792799242  8.094986202847  0.029917495418  0.001605963833  -0.022826825805  -0.004411763432  -0.001280950185  -0.002010853178
  1  Al  8.094773552142  2.017506582006  2.015048670949  0.031080886158  0.017703425853  0.001151552589  -0.002079653162  -0.002991751635  -0.003979936477
  2  Al  2.018703859975  8.089770967185  2.019419732278  0.013919226972  -0.003693727064  0.025845990880  -0.002513751585  -0.004091309206  -0.002224014959
  3  Al  2.018287810276  2.021877158344  8.098268070311  0.007868384110  -0.003638224377  -0.041463155915  -0.002681939384  -0.001249952029  -0.000703843855
  4  Al  0.001690391063  8.092114301708  4.066037616100  0.025415089608  0.003454437666  -0.043998563012  0.000683816809  -0.003151683207  0.006402346179
  5  Al  0.001442104439  2.024859679246  6.081085454288  -0.004937308624  -0.004796733387  -0.016060005428  0.000575261074  -0.000057222077  0.002430610348
  6  Al  2.022197649148  8.098244267472  6.072662607996  -0.016528209756  0.040642226912  0.005882877478  -0.001125457257  -0.000688501791  -0.000931923363
  7  Al  2.024258420035  2.027235269338  4.056132492670  -0.006396103253  -0.016574547133  0.009008969998  -0.000298121903  0.000889299861  0.002456372288
  8  Al  8.095691107387  4.059686240094  8.086228383727  -0.000385911984  -0.027751852225  0.025584163655  -0.001722172380  0.003866838343  -0.005499310004
  9  Al  0.003138783210  6.073707990847  2.023928297884  0.004846627475  -0.001632016966  0.021182400726  0.001257033630  -0.000516054350  -0.000422056908
  10  Al  2.031140210051  4.038431637786  2.023306996063  -0.011760001736  0.074243112640  0.028587534963  0.002452988917  -0.004603971985  -0.000668402423
  11  Al  2.027485310888  6.078317152655  0.011265634827  -0.025201495619  0.005475567219  0.029292773048  0.000986909187  0.001329789928  0.004515190105
  12  Al  8.094235316833  4.053639127968  4.041151052604  0.038108542624  0.007608775911  0.035731996308  -0.002292855067  0.001458793720  -0.003527972892
  13  Al  0.000886446449  6.071359213059  6.065638864002  0.003325713958  0.003593566369  0.018260880725  0.000355624504  -0.001454016841  -0.003737514847
  14  Al  2.023342726488  4.046161753793  6.079133419330  -0.024445191015  -0.029325688151  -0.021855370225  -0.000669883523  -0.001543389764  0.001648094443
  15  Al  2.034920664813  6.076552598365  4.039792768145  -0.044031424914  -0.016753579825  -0.014186257436  0.003955388823  0.000617186406  -0.004086563465
  16  Al  4.061611814512  0.012416911066  8.099412203429  -0.007627445731  0.000799933264  0.033828533822  0.004643071760  0.004966994612  -0.000223308090
  17  Al  4.036057874904  2.014150670302  2.023352944867  0.047797182599  0.019726720786  -0.003719156120  -0.005561464226  -0.004333498491  -0.000659718178
  18  Al  6.084343959639  8.089573690068  2.012579123871  -0.043836960443  -0.007894999540  0.014798355522  0.003725314544  -0.004171438866  -0.004963691208
  19  Al  6.079040225677  2.037148261080  8.084986979889  -0.037807323294  -0.034737587100  -0.002595893714  0.001605618662  0.004849102829  -0.006004495898
  20  Al  4.053634887608  0.013235423447  4.051251135421  -0.018286458695  -0.041701995731  -0.009166961342  0.001449224401  0.005281458598  0.000498407239
  21  Al  4.052664926816  2.021233605245  6.077479761391  0.005933257314  0.015097333581  0.025749872561  0.001068485479  -0.001501717612  0.001001005889
  22  Al  6.075102630161  0.000839788986  6.076363150316  0.006821668907  0.045053469293  0.015218773563  0.000044167004  0.000349492117  0.000551167315
  23  Al  6.084633843070  2.026910548665  4.046410401597  -0.028465736003  -0.001692656579  0.048140380610  0.003845923113  0.000763969473  -0.001420520202
  24  Al  4.052285473247  4.048750869554  0.013523594898  0.017750535540  -0.013235207769  -0.035821252781  0.000920331352  -0.000502816130  0.005398597198
  25  Al  4.045571136374  6.087039971406  2.036406300384  0.005546390135  -0.025908415056  -0.020362241769  -0.001769155188  0.004809304420  0.004556585143
  26  Al  6.068741878204  4.058943292302  2.016675911940  -0.003992082011  0.012826930452  0.012223031209  -0.002503483528  0.003581985200  -0.003325818733
  27  Al  6.070169997433  6.080449965563  0.010960594665  0.008841020898  -0.021878873387  -0.015407001766  -0.001928221398  0.002174540933  0.004379607813
  28  Al  4.052574561724  4.055043105258  4.059194636983  -0.008278698972  -0.004266591633  -0.045733356757  0.001028099289  0.002016637493  0.003664603620
  29  Al  4.039352052608  6.078445722929  6.090952251922  0.057978148876  -0.010275171825  -0.041400653328  -0.004240643033  0.001376379673  0.006369463039
  30  Al  6.077880168302  4.039029143250  6.077201260066  -0.000799815544  0.007226267329  0.013361019838  0.001152830708  -0.004385355586  0.000886067236
  31  Al  6.085135889352  6.070468503416  4.049099712392  -0.022370002999  0.010700136639  -0.029252412098  0.004048477998  -0.001808143850  -0.000368166615


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)
  -83.208747270051  -0.009373331459  0.001016917304
  -0.009373331459  -83.226217029694  -0.039379279439
  0.001016917304  -0.039379279439  -83.070846094080
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.086739752129  8.096152395935  8.093979755908  0.034143846037  0.002090832805  -0.029039334493  -0.004406036394  -0.001280619694  -0.002015489975
  1  Al  8.093735114866  2.016011497526  2.013058754184  0.035132783030  0.019156849045  -0.000641777324  -0.002073733708  -0.002988456353  -0.003979890904
  2  Al  2.017447606367  8.087725147474  2.018308880105  0.018775419665  -0.004247276567  0.028970228769  -0.002510828708  -0.004092019126  -0.002219114428
  3  Al  2.016947192298  2.021252019702  8.097914294995  0.011331253172  -0.006514051527  -0.051406332911  -0.002680222950  -0.001250859635  -0.000712146320
  4  Al  0.002033435513  8.090538614516  4.069236822469  0.028564057116  0.004029949425  -0.051289346761  0.000688642506  -0.003151014108  0.006393827508
  5  Al  0.001729514280  2.024830853795  6.082300041585  -0.007685271914  -0.008089654681  -0.017387619361  0.000574132624  -0.000058374111  0.002427620155
  6  Al  2.021634181714  8.097901833269  6.072196909277  -0.017823994343  0.049194212370  0.009303687026  -0.001128528320  -0.000680470478  -0.000930565695
  7  Al  2.024109073180  2.027679178393  4.057361081512  -0.005555037619  -0.021880351812  0.012766336262  -0.000299190327  0.000885862021  0.002458318984
  8  Al  8.094830003947  4.061618418767  8.083479872328  -0.002540807045  -0.033193631301  0.029190838112  -0.001722434026  0.003861389861  -0.005494413158
  9  Al  0.003767516667  6.073449890722  2.023718216276  0.003739091939  0.000020103970  0.023478883196  0.001257801187  -0.000516198454  -0.000418064221
  10  Al  2.032366178841  4.036132970434  2.022974072704  -0.012318388647  0.089203480636  0.032577681346  0.002450836326  -0.004589359977  -0.000662934296
  11  Al  2.027977638983  6.078982292374  0.013524539256  -0.028170401491  0.008467093434  0.033785028445  0.000982137778  0.001331036392  0.004520829215
  12  Al  8.093090592737  4.054368864938  4.039388663365  0.043835138151  0.008998111318  0.044413843131  -0.002285529361  0.001460278364  -0.003520807911
  13  Al  0.001064407360  6.070632365270  6.063770922833  0.001320999944  0.006414790195  0.023695944208  0.000356039917  -0.001453122102  -0.003733763937
  14  Al  2.023006692035  4.045388748063  6.079956489624  -0.027095914936  -0.035733320076  -0.024542480744  -0.000674491261  -0.001549205993  0.001643946508
  15  Al  2.036896391036  6.076860442689  4.037748852292  -0.050829789228  -0.017982109687  -0.015563851939  0.003946908299  0.000614081060  -0.004089223103
  16  Al  4.063933009448  0.014900444129  8.099302061508  -0.007143782962  0.000760974227  0.039247101809  0.004641751223  0.004967134156  -0.000216775181
  17  Al  4.033279279308  2.011984802833  2.023022919533  0.059202589999  0.021423100846  -0.006529817785  -0.005551898523  -0.004329819727  -0.000660634429
  18  Al  6.086204657414  8.087487617731  2.010097939748  -0.054839515607  -0.009449516399  0.016247827292  0.003716492938  -0.004172989453  -0.004960915701
  19  Al  6.079841345034  2.039571259737  8.081984615904  -0.047137763952  -0.044019469232  -0.004279032505  0.001598024633  0.004842062005  -0.006005110511
  20  Al  4.054358682411  0.015874288681  4.051499929280  -0.020083439282  -0.050345896405  -0.009807406710  0.001445794160  0.005273229583  0.000496710945
  21  Al  4.053199434770  2.020483421284  6.077981415346  0.008919777873  0.016406052903  0.032867825290  0.001069813330  -0.001498901232  0.001006246269
  22  Al  6.075125018590  0.001016548919  6.076639414247  0.006280422428  0.053983129112  0.020074473164  0.000045338321  0.000358345918  0.000554322506
  23  Al  6.086555532218  2.027292457740  4.045702293354  -0.036139568456  -0.004042675469  0.059337280630  0.003840147445  0.000763456738  -0.001410911776
  24  Al  4.052746432366  4.048498869880  0.016221292300  0.023257519033  -0.016182534157  -0.044825507674  0.000923997442  -0.000505446055  0.005391387436
  25  Al  4.044686806702  6.089443465519  2.038683682770  0.008958643806  -0.028606514148  -0.026383577373  -0.001767858449  0.004804430824  0.004552406101
  26  Al  6.067489957995  4.060734858262  2.015013548939  -0.006468685640  0.015368560651  0.013062487538  -0.002504418713  0.003584505857  -0.003323558226
  27  Al  6.069206281924  6.081536258052  0.013149709884  0.008463703840  -0.024189610616  -0.020321582572  -0.001926674368  0.002170422444  0.004376413703
  28  Al  4.053088241313  4.056051233289  4.061024894528  -0.007925344679  -0.004722199833  -0.052858686021  0.001026650660  0.002015833902  0.003655789563
  29  Al  4.037234322694  6.079133453468  6.094135132847  0.071537719966  -0.010250014394  -0.047492228691  -0.004229064408  0.001374544736  0.006361516080
  30  Al  6.078456547904  4.036836788469  6.077644890917  -0.002909207542  0.008823406602  0.017160833366  0.001152499124  -0.004383920757  0.000888795868
  31  Al  6.087159128419  6.069564909784  4.048914321512  -0.028796052656  0.015108178765  -0.033811716718  0.004043903789  -0.001805836605  -0.000373804503


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)
  -83.161897941393  -0.012594524366  0.001506215072
  -0.012594524366  -83.184933663528  -0.053659492770
  0.001506215072  -0.053659492770  -82.972938881920
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.084538260150  8.095512179547  8.092970712872  0.042386003294  0.002247293525  -0.032955758912  -0.004399194680  -0.001280231869  -0.002021032292
  1  Al  8.092699818434  2.014518125654  2.011068780045  0.043406530475  0.024071053503  0.001157972318  -0.002066712350  -0.002984591809  -0.003979844756
  2  Al  2.016193031267  8.085678948059  2.017200617850  0.019656232395  -0.004839750639  0.035464115652  -0.002507392946  -0.004092831500  -0.002213354044
  3  Al  2.015607587326  2.020626298708  8.097555923991  0.010600644968  -0.005945478034  -0.058863421950  -0.002678262254  -0.001251973508  -0.000722004357
  4  Al  0.002379033569  8.088963287599  4.072431443608  0.035593333700  0.004304360183  -0.060803729315  0.000694378130  -0.003150269027  0.006383806468
  5  Al  0.002016237063  2.024801305135  6.083513074442  -0.006394591256  -0.008039428324  -0.022238154310  0.000572873895  -0.000059816039  0.002424077639
  6  Al  2.021069120828  8.097563796994  6.071732042301  -0.022822178970  0.056992345488  0.009077131986  -0.001132162058  -0.000670977476  -0.000928922463
  7  Al  2.023959229709  2.028121131359  4.058590811655  -0.008611553265  -0.023850787730  0.014052466689  -0.000300456810  0.000881773690  0.002460716566
  8  Al  8.093968673360  4.063547629954  8.080733970569  -0.000512224420  -0.038453121393  0.034693818955  -0.001722706965  0.003854984693  -0.005488701916
  9  Al  0.004396584397  6.073191792394  2.023510233663  0.006259078428  -0.001493066756  0.029228525666  0.001258695016  -0.000516330135  -0.000413352217
  10  Al  2.033591046377  4.033842277809  2.022644061767  -0.016672323057  0.104117397711  0.040092345920  0.002448244577  -0.004572077230  -0.000656437648
  11  Al  2.028467448666  6.079648189046  0.015786464043  -0.034802233563  0.007900240912  0.040026714555  0.000976508069  0.001332499620  0.004527427932
  12  Al  8.091949787472  4.055099406332  4.037630244693  0.053399009886  0.010406724628  0.050817527835  -0.002276836698  0.001462013142  -0.003512294295
  13  Al  0.001242486366  6.069906090958  6.061905100065  0.003530759142  0.005774291075  0.025569414723  0.000356473661  -0.001452032406  -0.003729359650
  14  Al  2.022668235227  4.044612547800  6.080777365838  -0.033671845217  -0.041199923754  -0.030477837008  -0.000679923855  -0.001556083770  0.001639027731
  15  Al  2.038867573112  6.077166679425  4.035703545042  -0.061485988660  -0.022561448272  -0.018392725564  0.003936867349  0.000610456495  -0.004092258797
  16  Al  4.066253565735  0.017384045222  8.099195428248  -0.010235336394  0.000231849418  0.046681769934  0.004640197542  0.004967222913  -0.000209093202
  17  Al  4.030505976381  2.009820850575  2.022692310438  0.066510078082  0.026700835999  -0.005628334700  -0.005540659901  -0.004325517481  -0.000661721359
  18  Al  6.088060452577  8.085400700614  2.007618208169  -0.061836144889  -0.011245982709  0.021242263147  0.003706062218  -0.004174839616  -0.004957564114
  19  Al  6.080638250309  2.041990323085  8.078981869377  -0.052722826786  -0.050127276547  -0.003841894722  0.001589097168  0.004833645354  -0.006005836516
  20  Al  4.055080681768  0.018508653029  4.051747846365  -0.025828691338  -0.058998277135  -0.012269484035  0.001441689649  0.005263454292  0.000494737286
  21  Al  4.053734740145  2.019734704013  6.078486007660  0.008391880686  0.020894031717  0.036347363429  0.001071360979  -0.001495566631  0.001012434057
  22  Al  6.075147968483  0.001198134904  6.076917472822  0.009256686092  0.062713853250  0.021482857388  0.000046727328  0.000368778544  0.000558037701
  23  Al  6.088473990515  2.027674005403  4.044999489821  -0.040075487135  -0.003104889244  0.068237440944  0.003833333874  0.000762817751  -0.001399506688
  24  Al  4.053209470690  4.048245423498  0.018914982334  0.024849313303  -0.018596765179  -0.051804836826  0.000928298158  -0.000508555300  0.005382748752
  25  Al  4.043803277926  6.091844402230  2.040958706484  0.008475631647  -0.034900847625  -0.029280659024  -0.001766299837  0.004798753312  0.004547429758
  26  Al  6.066237459491  4.062527798159  2.013352353714  -0.005164424003  0.018161463966  0.017830831668  -0.002505458705  0.003587503417  -0.003320796386
  27  Al  6.068243323065  6.082620388007  0.015337008368  0.011684928258  -0.029749928293  -0.023177700164  -0.001924873095  0.002165600288  0.004372524899
  28  Al  4.053601212383  4.057058939160  4.062850426545  -0.011370548500  -0.004895477131  -0.062253621456  0.001024925621  0.002014974089  0.003645498605
  29  Al  4.035122988201  6.079820267664  6.097313768002  0.080646495591  -0.013570761178  -0.056705600825  -0.004215459248  0.001372415176  0.006352200869
  30  Al  6.079032667426  4.034645222493  6.078090055934  -0.001302991726  0.010930533585  0.017278515533  0.001152122556  -0.004382154769  0.000891874721
  31  Al  6.089179793141  6.068662666811  4.048725907889  -0.031137216769  0.016126934984  -0.040587317530  0.004038545798  -0.001803044209  -0.000380455723


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)
  -83.107579767568  -0.016227471085  0.001728108180
  -0.016227471085  -83.137139610815  -0.070024537314
  0.001728108180  -0.070024537314  -82.860214133716
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.082340557448  8.094872164066  8.091958723616  0.047340092262  0.003013172371  -0.037767302847  -0.004391173232  -0.001279761587  -0.002027354883
  1  Al  8.091668402516  2.013026905716  2.009078909428  0.048261301222  0.026917024654  0.000152341309  -0.002058517312  -0.002980033512  -0.003979727615
  2  Al  2.014940213421  8.083632315974  2.016095526061  0.023244451058  -0.004636762743  0.039156938937  -0.002503557655  -0.004093678693  -0.002206682975
  3  Al  2.014268930044  2.020000046194  8.097192290638  0.012677735388  -0.007601352847  -0.067053282554  -0.002676181183  -0.001253184585  -0.000733261220
  4  Al  0.002727813643  8.087388345489  4.075620628937  0.039312999890  0.005059815184  -0.069462647545  0.000701074703  -0.003149431876  0.006372160748
  5  Al  0.002302388175  2.024771037756  6.084724119224  -0.008325707144  -0.010335940672  -0.024343334166  0.000571557911  -0.000061458784  0.002419913288
  6  Al  2.020502019655  8.097230855793  6.071267986815  -0.025033470801  0.065367199220  0.011893401447  -0.001136440319  -0.000660038621  -0.000927047712
  7  Al  2.023808616370  2.028560952083  4.059821798078  -0.008935503739  -0.027788536529  0.016199776186  -0.000302025504  0.000877157172  0.002463421095
  8  Al  8.093107296982  4.065473403460  8.077991170413  -0.001847153177  -0.044122442287  0.039622114882  -0.001722917892  0.003847602497  -0.005482058125
  9  Al  0.005026211683  6.072933560587  2.023304864059  0.005406955374  -0.001011715441  0.032196733549  0.001259737951  -0.000516554061  -0.000407860843
  10  Al  2.034814423419  4.031560893204  2.022317635056  -0.018582377594  0.118248282760  0.045027147137  0.002445092832  -0.004552197898  -0.000648828027
  11  Al  2.028954147053  6.080314791994  0.018051967188  -0.038717750783  0.009529468807  0.045173159020  0.000969935436  0.001334057823  0.004535044739
  12  Al  8.090813756039  4.055830878080  4.035876369070  0.059883864960  0.011275283297  0.057877498808  -0.002266709291  0.001463951498  -0.003502577038
  13  Al  0.001420881021  6.069180332863  6.060041563184  0.002299613797  0.007350911925  0.030174318092  0.000356994892  -0.001450859023  -0.003724376200
  14  Al  2.022326768180  4.043832664293  6.081595517355  -0.037437932296  -0.047283418897  -0.033880375544  -0.000686281018  -0.001563994117  0.001633274153
  15  Al  2.040833258385  6.077470899184  4.033656593495  -0.069439046554  -0.025092625603  -0.020301525554  0.003925162745  0.000606196255  -0.004095718035
  16  Al  4.068573206991  0.019867667042  8.099092968306  -0.010139717287  0.000251727970  0.053240040554  0.004638376027  0.004967266145  -0.000200160264
  17  Al  4.027738619407  2.007659285352  2.022361198175  0.077053475120  0.029719881555  -0.007680477188  -0.005527825423  -0.004320473510  -0.000662911157
  18  Al  6.089910719633  8.083312778115  2.005140375634  -0.071608664307  -0.012354250868  0.023554187336  0.003694132348  -0.004176949460  -0.004953559344
  19  Al  6.081430442202  2.044404905091  8.075978779388  -0.060958403260  -0.058566299839  -0.003754696978  0.001578934147  0.004823928226  -0.006006515646
  20  Al  4.055800372059  0.021137742974  4.051994666567  -0.028274108623  -0.067268735145  -0.014056441159  0.001436852897  0.005252166112  0.000492383768
  21  Al  4.054270795749  2.018987854653  6.078993849403  0.010941990503  0.023228633949  0.042703436091  0.001073089414  -0.001491622096  0.001019501142
  22  Al  6.075171745917  0.001385327463  6.077197451948  0.009615445861  0.071859000097  0.025615456778  0.000048414483  0.000380809260  0.000562248257
  23  Al  6.090388866092  2.028055275491  4.044302786667  -0.046695788559  -0.004339759401  0.077812719195  0.003825576585  0.000762152205  -0.001386449908
  24  Al  4.053674730524  4.047990314580  0.021604041052  0.029652533482  -0.021842616917  -0.059652144881  0.000933170584  -0.000512170551  0.005372784578
  25  Al  4.042920506865  6.094242218831  2.043231112528  0.011561029385  -0.038723538663  -0.034851552704  -0.001764508574  0.004792171345  0.004541696384
  26  Al  6.064984499291  4.064322361678  2.011692752553  -0.006254850576  0.020229022456  0.019816746210  -0.002506479580  0.003590935499  -0.003317430719
  27  Al  6.067281408829  6.083701858340  0.017522234783  0.012283332065  -0.033070706191  -0.026956452390  -0.001922730350  0.002159984168  0.004368042942
  28  Al  4.054113166934  4.058066207378  4.064670393133  -0.011657690921  -0.005450017371  -0.070535362160  0.001022866913  0.002014049209  0.003633627366
  29  Al  4.033018863446  6.080505868644  6.100487333716  0.092894288670  -0.014606538693  -0.063107672724  -0.004199944827  0.001369896145  0.006341489648
  30  Al  6.079608670461  4.032454633700  6.078536765638  -0.002336543565  0.012622428675  0.019765106552  0.001151797185  -0.004380049151  0.000895186394
  31  Al  6.091197674217  6.067761865575  4.048533865789  -0.036184399848  0.019423405188  -0.046577853690  0.004032527294  -0.001799866034  -0.000388248227


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)
  -83.047125722958  -0.020301298484  0.002356357253
  -0.020301298484  -83.083088105323  -0.088452460866
  0.002356357253  -0.088452460866  -82.732197871192
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.080147086918  8.094232417960  8.090943357990  0.055090890642  0.003343629573  -0.041906840272  -0.004382015976  -0.001279193294  -0.002034477694
  1  Al  8.090641301123  2.011538092142  2.007089052430  0.055831479928  0.031287857778  0.001551010378  -0.002049211492  -0.002974830037  -0.003979575337
  2  Al  2.013689473612  8.081585269366  2.014993934874  0.024679396340  -0.004788555918  0.044964603037  -0.002499273298  -0.004094521310  -0.002199162570
  3  Al  2.012931406142  2.019373114123  8.096822662771  0.012522235002  -0.007563452114  -0.074551682385  -0.002673928324  -0.001254540308  -0.000745920601
  4  Al  0.003080108271  8.085813855723  4.078803604355  0.045664514162  0.005703418219  -0.079044215868  0.000708671631  -0.003148469651  0.006358884341
  5  Al  0.002587794974  2.024739846351  6.085932987730  -0.007677302240  -0.010898839787  -0.028737585152  0.000570127253  -0.000063357158  0.002415167892
  6  Al  2.019932680509  8.096903758373  6.070804994589  -0.029367281264  0.073341581573  0.012577029077  -0.001141303707  -0.000647638155  -0.000924860073
  7  Al  2.023657204204  2.028998288531  4.061054232749  -0.011516053934  -0.030191297641  0.017691126294  -0.000303853859  0.000871973816  0.002466450917
  8  Al  8.092245755469  4.067395232451  8.075251912445  -0.000525973651  -0.049323593849  0.045145195823  -0.001723130048  0.003839248488  -0.005474479988
  9  Al  0.005656322348  6.072675238333  2.023102372820  0.007255340337  -0.002132777037  0.037086430195  0.001260869951  -0.000516835176  -0.000401666978
  10  Al  2.036036139209  4.029290079911  2.021995233740  -0.022540253483  0.133001519545  0.051911817921  0.002441416499  -0.004529736347  -0.000640161753
  11  Al  2.029437384101  6.080982246870  0.020321508782  -0.044700237454  0.009328142185  0.051212184726  0.000962477928  0.001335743680  0.004543661520
  12  Al  8.089683078181  4.056563357830  4.034127667654  0.068853927291  0.011995275030  0.064287814732  -0.002255200225  0.001466031869  -0.003491655547
  13  Al  0.001599481259  6.068455231935  6.058180723865  0.003495983420  0.007324426946  0.032876316803  0.000357513014  -0.001449547058  -0.003718739519
  14  Al  2.021981954209  4.043048553683  6.082410639991  -0.043082450493  -0.053089569431  -0.039330222090  -0.000693479482  -0.001572967390  0.001626729179
  15  Al  2.042792735857  6.077772875681  4.031607827006  -0.079329967324  -0.029128949910  -0.022822222988  0.003911862902  0.000601348886  -0.004099573267
  16  Al  4.070891941763  0.022351311367  8.098995267985  -0.012603596111  -0.000255980329  0.060624252756  0.004636342791  0.004967265765  -0.000189980878
  17  Al  4.024978150958  2.005500377065  2.022029399282  0.084862675109  0.034510540864  -0.007468526371  -0.005513350235  -0.004314731356  -0.000664265467
  18  Al  6.091754584925  8.081223751154  2.002664648825  -0.079171781573  -0.013831012669  0.028197685047  0.003680652685  -0.004179290404  -0.004948932764
  19  Al  6.082217184457  2.046814251311  8.072975353731  -0.066943415179  -0.065377510237  -0.003221504528  0.001567499817  0.004812847739  -0.006007139313
  20  Al  4.056517534665  0.023760819141  4.052240230133  -0.033441300808  -0.075924296800  -0.016500451262  0.001431335584  0.005239364758  0.000489652003
  21  Al  4.054807829559  2.018243081917  6.079505508802  0.011012732678  0.027433696043  0.046766542398  0.001075052150  -0.001487092921  0.001027499693
  22  Al  6.075196382966  0.001578944165  6.077479721078  0.012039336213  0.080694528304  0.027549189608  0.000050350405  0.000394447436  0.000567001138
  23  Al  6.092299567100  2.028436157607  4.043613039913  -0.051034806498  -0.003842144064  0.086858670805  0.003816839540  0.000761420748  -0.001371728405
  24  Al  4.054142641274  4.047733252947  0.024287766912  0.031779972608  -0.024468092343  -0.066895666587  0.000938662606  -0.000516310695  0.005361471295
  25  Al  4.042038769352  6.096636573575  2.045500402869  0.011810087931  -0.044322290025  -0.038607141342  -0.001762419213  0.004784747107  0.004535129230
  26  Al  6.063730979911  4.066118733658  2.010034922995  -0.005321615563  0.022623859224  0.024146492893  -0.002507514507  0.003594766515  -0.003313500437
  27  Al  6.066320592715  6.084780372176  0.019705051310  0.014902975531  -0.038188598402  -0.030229710219  -0.001920299913  0.002153613638  0.004362930540
  28  Al  4.054624079296  4.059072988369  4.066484053911  -0.014452355114  -0.005627911446  -0.079381594794  0.001020532693  0.002013058850  0.003620224898
  29  Al  4.030923043374  6.081190163810  6.103655257650  0.102427172737  -0.017492334855  -0.071510376617  -0.004182483229  0.001367026529  0.006329454892
  30  Al  6.080184464610  4.030265173342  6.078985242328  -0.001341414479  0.014661425387  0.019972110761  0.001151468378  -0.004377609994  0.000898738872
  31  Al  6.093212320435  6.066862800778  4.048337659663  -0.039178914758  0.021197306186  -0.053210732779  0.004025789868  -0.001796234571  -0.000397169255


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)
  -82.978972786981  -0.024658576392  0.002856919875
  -0.024658576392  -83.022843369926  -0.108781528437
  0.002856919875  -0.108781528437  -82.589794656608
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.077958541473  8.093592970773  8.089924245922  0.059074033361  0.005177869973  -0.047245237382  -0.004371809714  -0.001278431478  -0.002042447825
  1  Al  8.089619191024  2.010052075679  2.005099334091  0.059282411735  0.033587739097  -0.000026603229  -0.002038920393  -0.002969030206  -0.003979439056
  2  Al  2.012440940123  8.079537794665  2.013896363491  0.030403359147  -0.003287354631  0.048237293757  -0.002494348939  -0.004095243290  -0.002190830388
  3  Al  2.011595001720  2.018745505886  8.096446370037  0.016636788548  -0.009735120471  -0.083138560856  -0.002671321529  -0.001256086788  -0.000760017996
  4  Al  0.003436485274  8.084239875838  4.081979513278  0.048308687208  0.007358946775  -0.087188575723  0.000717072768  -0.003147301885  0.006344023249
  5  Al  0.002872515428  2.024707680598  6.087139287116  -0.010640240653  -0.013918826937  -0.030494956194  0.000568489678  -0.000065575839  0.002409872545
  6  Al  2.019360715948  8.096583217638  6.070343126741  -0.029307534637  0.082648708384  0.015871685730  -0.001146549194  -0.000633692736  -0.000922316779
  7  Al  2.023504762512  2.029432925899  4.062288248995  -0.009413862427  -0.034724416218  0.020484905610  -0.000305724978  0.000866170398  0.002469863827
  8  Al  8.091384166934  4.069312651948  8.072516690424  -0.003119133654  -0.055947838574  0.049563999421  -0.001723455918  0.003829837298  -0.005466013054
  9  Al  0.006287081635  6.072416725410  2.022903197081  0.005121539333  -0.001073104786  0.039643500998  0.001261976436  -0.000517121780  -0.000394807377
  10  Al  2.037255839917  4.027031156857  2.021677473303  -0.022330997501  0.145935950137  0.056462408700  0.002437405041  -0.004504799538  -0.000630473175
  11  Al  2.029916624981  6.081650535674  0.022595628708  -0.046309879347  0.011328082237  0.055550005731  0.000954341689  0.001337590332  0.004553205983
  12  Al  8.088558555814  4.057296909949  4.032384713523  0.074072786022  0.011837689042  0.071957981699  -0.002242422680  0.001468162519  -0.003479475271
  13  Al  0.001778394035  6.067730785805  6.056322823665  0.000750001532  0.009397800378  0.037744909196  0.000357892602  -0.001448052103  -0.003712426032
  14  Al  2.021633288698  4.042259696904  6.083222246534  -0.044390080838  -0.060137443749  -0.042394173070  -0.000701299464  -0.001583089803  0.001619423076
  15  Al  2.044745121287  6.078072248070  4.029557020228  -0.085129607648  -0.030956243733  -0.023835144532  0.003897160335  0.000595977313  -0.004103744402
  16  Al  4.073209549782  0.024834932807  8.098902987428  -0.011410081689  0.000373071947  0.066604228770  0.004634195986  0.004967276233  -0.000178606743
  17  Al  4.022225269172  2.003344553996  2.021696932708  0.096573529714  0.036987542103  -0.009686192988  -0.005497129969  -0.004308339479  -0.000665799086
  18  Al  6.093591372317  8.079133487711  2.000191442870  -0.091201502436  -0.013671850661  0.030546529837  0.003665421436  -0.004181749140  -0.004943681073
  19  Al  6.082997942019  2.049217752829  8.069971640074  -0.077013810667  -0.074423317664  -0.003165239640  0.001554630145  0.004800349645  -0.006007710284
  20  Al  4.057231707643  0.026377107732  4.052484318570  -0.034824430592  -0.083279067968  -0.017851837235  0.001425232677  0.005225132092  0.000486580934
  21  Al  4.055345847899  2.017500761733  6.080021349096  0.014576264471  0.029460466576  0.053326221121  0.001077339788  -0.001482006623  0.001036447914
  22  Al  6.075222096322  0.001779774899  6.077764453086  0.010178529515  0.090540562585  0.031905505695  0.000052336666  0.000409755730  0.000572316345
  23  Al  6.094205705632  2.028816696239  4.042931058262  -0.059965877834  -0.005610342616  0.096685600459  0.003806916158  0.000760575703  -0.001355319679
  24  Al  4.054613393130  4.047474003885  0.026965512348  0.037690174573  -0.028697938940  -0.075634856221  0.000944873187  -0.000521063700  0.005348729169
  25  Al  4.041158087652  6.099026965938  2.047766241758  0.016367323530  -0.047380013084  -0.044630768183  -0.001759900172  0.004776548988  0.004527687821
  26  Al  6.062476984783  4.067917128194  2.008379252116  -0.008379246853  0.023465322032  0.026023594885  -0.002508739355  0.003598886855  -0.003309015267
  27  Al  6.065361108916  6.085855471978  0.021885165323  0.013105484492  -0.041132195503  -0.035055031775  -0.001917795977  0.002146522416  0.004357094131
  28  Al  4.055133699627  4.060079266228  4.068290618031  -0.013452261723  -0.007020344726  -0.086821917530  0.001018038041  0.002011928105  0.003605366423
  29  Al  4.028836380217  6.081872895173  6.106816788608  0.115830837562  -0.018016435553  -0.077221518770  -0.004162971120  0.001363852071  0.006316158367
  30  Al  6.080760138838  4.028077023705  6.079435504510  -0.004606784164  0.015825558752  0.022355545770  0.001150936613  -0.004374884480  0.000902522934
  31  Al  6.095223464085  6.065965631004  4.048136696535  -0.046476418079  0.025086545797  -0.058573304051  0.004018132343  -0.001792096828  -0.000407162667


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)
  -82.904717012215  -0.029711548114  0.003497666559
  -0.029711548114  -82.956071681591  -0.131566422405
  0.003497666559  -0.131566422405  -82.431985418911
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.075775277204  8.092953986483  8.088900910165  0.066084389588  0.005048881833  -0.051881410932  -0.004360620641  -0.001277517213  -0.002051309676
  1  Al  8.088602380730  2.008569061936  2.003109613374  0.065933232684  0.037798590348  0.000720151765  -0.002027726204  -0.002962648319  -0.003979377053
  2  Al  2.011195124673  8.077490026076  2.012803104486  0.031501637938  -0.003703936680  0.053306445837  -0.002488814677  -0.004095868307  -0.002181752450
  3  Al  2.010260084614  2.018117027335  8.096062644775  0.016001880629  -0.010044092309  -0.091049021489  -0.002668403655  -0.001257855035  -0.000775590240
  4  Al  0.003797181039  8.082666553838  4.085147627604  0.053799824914  0.007189689777  -0.096053499680  0.000726201195  -0.003146001247  0.006327641539
  5  Al  0.003156284652  2.024674270512  6.088342860275  -0.010553755018  -0.014989177208  -0.034388152391  0.000566594950  -0.000068160194  0.002404072042
  6  Al  2.018786131315  8.096270065637  6.069882677810  -0.033709609597  0.089888689558  0.017225049516  -0.001152182881  -0.000618268017  -0.000919357954
  7  Al  2.023351479226  2.029864458929  4.063524096576  -0.012173725481  -0.037155973706  0.022626320490  -0.000307654893  0.000859744343  0.002473717940
  8  Al  8.090522299551  4.071225069749  8.069785899390  -0.002467001300  -0.060567904466  0.054487777044  -0.001723955314  0.003819420874  -0.005456710900
  9  Al  0.006918298783  6.072158116553  2.022707565443  0.005898590691  -0.001899858982  0.044086156379  0.001262961627  -0.000517387561  -0.000387322006
  10  Al  2.038473544250  4.024785280373  2.021364760565  -0.026781138792  0.160928888343  0.063120158593  0.002433014452  -0.004477366042  -0.000619782580
  11  Al  2.030391725790  6.082319837201  0.024874714765  -0.052327090063  0.011301147422  0.060567320367  0.000945523615  0.001339613368  0.004563586788
  12  Al  8.087440655501  4.058031520349  4.030648192384  0.082435835861  0.013147520075  0.078823664661  -0.002228430921  0.001470396179  -0.003465995500
  13  Al  0.001957373861  6.067007179832  6.054468297833  0.000977889770  0.009651342521  0.040676752809  0.000358047075  -0.001446349123  -0.003705415192
  14  Al  2.021280654745  4.041465463880  6.084030063068  -0.050250522426  -0.065197596435  -0.047476727390  -0.000709760265  -0.001594294666  0.001611388683
  15  Al  2.046689896192  6.078368852993  4.027504082604  -0.095492463704  -0.034833981354  -0.025273001954  0.003881012852  0.000590095714  -0.004108134635
  16  Al  4.075526137748  0.027318587599  8.098816661241  -0.012873995952  -0.001033488629  0.073188852661  0.004632025007  0.004967217192  -0.000166109342
  17  Al  4.019481020989  2.001192037586  2.021363600195  0.105019340373  0.041336655858  -0.009997698969  -0.005479107712  -0.004301337352  -0.000667558812
  18  Al  6.095420006361  8.077042002014  1.997720967752  -0.098541244610  -0.015466366651  0.034812064175  0.003648458571  -0.004184354076  -0.004937838062
  19  Al  6.083771814601  2.051614600957  8.066967643448  -0.082603691332  -0.081959998545  -0.002660408847  0.001540360455  0.004786369089  -0.006008231093
  20  Al  4.057942767342  0.028985951233  4.052726811066  -0.039147390373  -0.092490351172  -0.019663991327  0.001418619649  0.005209418432  0.000483227045
  21  Al  4.055885169347  2.016761075293  6.080541956716  0.015410032679  0.033326543748  0.057889767119  0.001080020541  -0.001476393510  0.001046390544
  22  Al  6.075248719632  0.001988699895  6.078052037423  0.012683610786  0.098531580011  0.034406656456  0.000054380525  0.000426658643  0.000578244604
  23  Al  6.096106483258  2.029196733310  4.042257720234  -0.064050490482  -0.005531274534  0.105990068408  0.003795829184  0.000759579650  -0.001337200620
  24  Al  4.055087514461  4.047212189247  0.029636496081  0.040476714740  -0.030840325820  -0.083762034311  0.000951861251  -0.000526386378  0.005334479202
  25  Al  4.040278869180  6.101413122562  2.050028090689  0.017782810300  -0.052429715522  -0.049042902754  -0.001756847175  0.004767626070  0.004519313462
  26  Al  6.061222240557  4.069717620513  2.006725907727  -0.006774370356  0.026302764580  0.030218586754  -0.002510094077  0.003603336086  -0.003303987257
  27  Al  6.064402796738  6.086926894592  0.024062145441  0.015767396611  -0.045673697494  -0.039265863089  -0.001915214762  0.002138762032  0.004350449896
  28  Al  4.055642117336  4.061084916474  4.070089420334  -0.015616254220  -0.006403871970  -0.094791778476  0.001015439336  0.002010727990  0.003589130289
  29  Al  4.026760072254  6.082554015881  6.109971416017  0.125859374135  -0.020362142927  -0.084684334517  -0.004141364189  0.001360421053  0.006301684100
  30  Al  6.081335401223  4.025890288862  6.079887765262  -0.003329005858  0.018865902520  0.022475790664  0.001150227159  -0.004371783088  0.000906530824
  31  Al  6.097230452777  6.065070703949  4.047930496996  -0.048940812137  0.027265557812  -0.064630757573  0.004009602111  -0.001787416588  -0.000418177021


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)
  -82.823357933742  -0.034805450615  0.004120613244
  -0.034805450615  -82.883150797922  -0.155863224769
  0.004120613244  -0.155863224769  -82.259990733984
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.073597920832  8.092315453559  8.087872936246  0.071567205830  0.005825473005  -0.057345892872  -0.004348314687  -0.001276545054  -0.002061074519
  1  Al  8.087591464819  2.007089427360  2.001119957038  0.070862071616  0.040900593205  0.000177580356  -0.002015496803  -0.002955612669  -0.003979296796
  2  Al  2.009952125446  8.075441926358  2.011714611040  0.035304258461  -0.002928563929  0.057333241815  -0.002482842278  -0.004096461247  -0.002171861342
  3  Al  2.008926598065  2.017487650850  8.095670779797  0.018130323738  -0.011422261807  -0.099602686445  -0.002665352260  -0.001259774112  -0.000792634366
  4  Al  0.004162686470  8.081093874591  4.088307154817  0.057738040172  0.007857437300  -0.104185041520  0.000736172600  -0.003144656045  0.006309740358
  5  Al  0.003439110378  2.024639520404  6.089543359158  -0.012040668174  -0.017222587850  -0.037142765432  0.000564575025  -0.000071039903  0.002397677229
  6  Al  2.018208533067  8.095964949621  6.069423768787  -0.035315866035  0.097912605721  0.019804483078  -0.001158353709  -0.000601478716  -0.000916047541
  7  Al  2.023197107619  2.030292670242  4.064761966935  -0.012031307290  -0.040750922801  0.025570134305  -0.000309818805  0.000852779523  0.002478026668
  8  Al  8.089660211620  4.073132072822  8.067059979524  -0.003633616776  -0.066002967809  0.058698604589  -0.001724500705  0.003808105529  -0.005446592119
  9  Al  0.007550043262  6.071899337849  2.022515875075  0.004995221567  -0.001671090361  0.047349018415  0.001263935526  -0.000517706801  -0.000379147767
  10  Al  2.039688854369  4.022553790815  2.021057690723  -0.028608412111  0.174813772649  0.068622076442  0.002428062666  -0.004447350890  -0.000608004919
  11  Al  2.030862148595  6.082990149043  0.027159215496  -0.055606972822  0.012283058476  0.064459258098  0.000935874387  0.001341721779  0.004574764074
  12  Al  8.086330124893  4.058767306127  4.028918718023  0.089081649454  0.013599713399  0.086512439287  -0.002213097382  0.001472787362  -0.003451214571
  13  Al  0.002136441110  6.066284436682  6.052617408473  -0.000596982121  0.010934980180  0.044727675575  0.000358081128  -0.001444508721  -0.003697780097
  14  Al  2.020923528432  4.040665402238  6.084833635216  -0.053120790645  -0.071044795821  -0.051507441318  -0.000719001586  -0.001606474637  0.001602539569
  15  Al  2.048626134139  6.078662343784  4.025448885592  -0.103034089769  -0.037498261736  -0.025659366388  0.003863264721  0.000583629263  -0.004112687952
  16  Al  4.077841574789  0.029802149999  8.098736878086  -0.012904806757  -0.001708921756  0.078996602349  0.004629720400  0.004966972022  -0.000152504072
  17  Al  4.016746161460  1.999043216644  2.021029373895  0.115166706884  0.044636606999  -0.011345202458  -0.005459423238  -0.004293651404  -0.000669466852
  18  Al  6.097239830888  8.074949133635  1.995253604808  -0.108647229619  -0.016259315691  0.038216692977  0.003629936070  -0.004187190329  -0.004931309343
  19  Al  6.084538302474  2.054004121919  8.063963408982  -0.090737637220  -0.090450712562  -0.002547838937  0.001524863865  0.004770955696  -0.006008696706
  20  Al  4.058650327293  0.031586526164  4.052967545616  -0.041955857312  -0.100937857627  -0.020791271952  0.001411369077  0.005192126090  0.000479610374
  21  Al  4.056425868440  2.016024368223  6.081067739640  0.017636378798  0.036308937650  0.063510640569  0.001082974867  -0.001470168148  0.001057243653
  22  Al  6.075276476847  0.002206433542  6.078342697690  0.012570373489  0.107234762771  0.037862696695  0.000056638213  0.000445054006  0.000584705432
  23  Al  6.098001534817  2.029576275890  4.041593857642  -0.071008164834  -0.006409557624  0.115944797826  0.003783755038  0.000758512149  -0.001317359803
  24  Al  4.055565254381  4.046947617506  0.032299991549  0.044939554209  -0.033914524521  -0.092890567069  0.000959497404  -0.000532175415  0.005318686586
  25  Al  4.039401240478  6.103794592008  2.052285555220  0.021101363110  -0.056221953369  -0.054510690344  -0.001753370958  0.004757912689  0.004510055845
  26  Al  6.059966890706  4.071520464280  2.005075264859  -0.007797265137  0.028073597984  0.033288414384  -0.002511396771  0.003608197294  -0.003298309777
  27  Al  6.063445894154  6.087994234010  0.026235615219  0.015660714465  -0.049393630145  -0.044522299962  -0.001912405112  0.002130263081  0.004342959295
  28  Al  4.056149138964  4.062089994218  4.071879748320  -0.016010017519  -0.006573343671  -0.101670539241  0.001012611970  0.002009567836  0.003571566700
  29  Al  4.024695016028  6.083233316227  6.113118472708  0.137392205809  -0.021761973242  -0.090937010565  -0.004117829687  0.001356655188  0.006285983679
  30  Al  6.081910365997  4.023705240617  6.080342035334  -0.004826357224  0.021283090585  0.023423559669  0.001149498076  -0.004368193797  0.000910634192
  31  Al  6.099233066196  6.064178214416  4.047718519513  -0.054270026237  0.030508612397  -0.069839301926  0.004000375136  -0.001782251619  -0.000430198548


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)
  -82.736095152947  -0.040404827910  0.004916557061
  -0.040404827910  -82.803729692503  -0.182567751419
  0.004916557061  -0.182567751419  -82.072880686064
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.071426962517  8.091677441429  8.086839835646  0.080236949341  0.005876149576  -0.060764097227  -0.004334743505  -0.001275498937  -0.002071633467
  1  Al  8.086586883927  2.005613449267  1.999130316578  0.079089239489  0.045226384059  0.001409254556  -0.002002091263  -0.002947912979  -0.003979154934
  2  Al  2.008712282395  8.073393564828  2.010631243145  0.035417450956  -0.002612450735  0.062686326103  -0.002476519808  -0.004096956610  -0.002161131679
  3  Al  2.007594732353  2.016857253224  8.095270010410  0.016417615576  -0.011703049391  -0.105878506730  -0.002662263700  -0.001261841498  -0.000811004237
  4  Al  0.004533353640  8.079521897793  4.091457367962  0.064606060494  0.008026483729  -0.114497946649  0.000747110075  -0.003143236034  0.006290190256
  5  Al  0.003720859676  2.024603230609  6.090740537504  -0.010342902879  -0.018294165096  -0.041454720570  0.000562573950  -0.000074215075  0.002390650670
  6  Al  2.017627777606  8.095668586921  6.068966630269  -0.040498971703  0.105150315013  0.020977487022  -0.001165131501  -0.000583325037  -0.000912401662
  7  Al  2.023041660421  2.030717238452  4.066002123244  -0.015744777775  -0.043090584842  0.026315017839  -0.000312301968  0.000845284152  0.002482665163
  8  Al  8.088797798846  4.075033175278  8.064339307271  -0.001411501772  -0.070716747739  0.064960113456  -0.001724951735  0.003795882885  -0.005435537119
  9  Al  0.008182234309  6.071640409752  2.022328417676  0.007129977477  -0.002639749380  0.051928856263  0.001265019510  -0.000518092187  -0.000370272397
  10  Al  2.040901606916  4.020337929483  2.020756755646  -0.034290502290  0.189269978544  0.075624293047  0.002422439548  -0.004414802064  -0.000595109397
  11  Al  2.031327600177  6.083661558981  0.029449478839  -0.062625787514  0.012030070107  0.070350205806  0.000925304463  0.001343895356  0.004586815943
  12  Al  8.085227558119  4.059504307711  4.027196977812  0.099012201101  0.014289607339  0.091948901816  -0.002196281927  0.001475280647  -0.003435260256
  13  Al  0.002315454989  6.065562671111  6.050770517736  0.000944481439  0.011195945555  0.047469839467  0.000358112194  -0.001442530232  -0.003689537706
  14  Al  2.020561653159  4.039858989243  6.085632602637  -0.059769327105  -0.076166444802  -0.057054548393  -0.000729093882  -0.001619635216  0.001592834205
  15  Al  2.050553160912  6.078952482256  4.023391394652  -0.114207629430  -0.041397800569  -0.027855302539  0.003843843467  0.000576576012  -0.004117472125
  16  Al  4.080155858149  0.032285559622  8.098664157169  -0.015889125884  -0.003049495402  0.086816162858  0.004627146244  0.004966546623  -0.000137680530
  17  Al  4.014021597751  1.996898386182  2.020694133343  0.121738459758  0.049091291988  -0.011294335973  -0.005438244086  -0.004285272198  -0.000671490811
  18  Al  6.099049942431  8.072854811685  1.992789658409  -0.114830734922  -0.017659197883  0.043160656327  0.003609957301  -0.004190222620  -0.004924034267
  19  Al  6.085296678466  2.056385556653  8.060958946741  -0.095109116952  -0.098110147761  -0.000372120193  0.001508249299  0.004754098491  -0.006008957748
  20  Al  4.059354136419  0.034178077323  4.053206421440  -0.047951395837  -0.110012486107  -0.023795700280  0.001403331434  0.005173267281  0.000475624331
  21  Al  4.056968144214  2.015290907145  6.081599200369  0.016825302526  0.040273197299  0.067584707757  0.001086055716  -0.001463321760  0.001068963482
  22  Al  6.075305357845  0.002433753901  6.078636742855  0.016039849276  0.115200457543  0.039866161452  0.000059195946  0.000464939555  0.000591654336
  23  Al  6.099890238296  2.029955245459  4.040940360431  -0.073935685240  -0.006233141672  0.123803870868  0.003770797162  0.000757381900  -0.001295926444
  24  Al  4.056047011865  4.046680013832  0.034955182668  0.046152941117  -0.036283622571  -0.099834199263  0.000967641007  -0.000538451079  0.005301457131
  25  Al  4.038525498222  6.106171035251  2.054538146535  0.021185259996  -0.061219446553  -0.058747468651  -0.001749590564  0.004747413512  0.004499930647
  26  Al  6.058710843786  4.073325817807  2.003427597951  -0.004973943614  0.030429977176  0.038114259413  -0.002512538508  0.003613427471  -0.003291926429
  27  Al  6.062490391626  6.089057157673  0.028405104736  0.019268627749  -0.054045557150  -0.047845208493  -0.001909282454  0.002121015692  0.004334701706
  28  Al  4.056654729307  4.063094484309  4.073660987034  -0.019673057336  -0.006032664753  -0.110627746534  0.001009421929  0.002008440868  0.003552587386
  29  Al  4.022642242567  6.083910671068  6.116257399696  0.145510506579  -0.024127763901  -0.098571892642  -0.004092538388  0.001352552678  0.006269041719
  30  Al  6.082484899299  4.021522095065  6.080798399455  -0.002569175814  0.024448428649  0.022673119095  0.001148836920  -0.004364105432  0.000914755202
  31  Al  6.101230827914  6.063288452331  4.047500298448  -0.055751286804  0.032886229731  -0.077095439008  0.003990539310  -0.001776584165  -0.000443334408


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)
  -82.640938625014  -0.046174531692  0.005825618315
  -0.046174531692  -82.718234173826  -0.210532635681
  0.005825618315  -0.210532635681  -81.872144190523
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.069263177327  8.091039954622  8.085801302780  0.084322625522  0.007788282824  -0.065506202523  -0.004320031997  -0.001274277347  -0.002082921941
  1  Al  8.085589373556  2.004141514381  1.997140802104  0.082389557161  0.048811197869  0.000376387499  -0.001987655175  -0.002939506087  -0.003978995299
  2  Al  2.007475605638  8.071344969748  2.009553479361  0.041109190589  -0.000360821972  0.066288024850  -0.002469678381  -0.004097222419  -0.002149601465
  3  Al  2.006264334365  2.016225809352  8.094859775560  0.020365452774  -0.012604425457  -0.113572750221  -0.002658975320  -0.001264014569  -0.000830623021
  4  Al  0.004909796545  8.077950638557  4.094597345073  0.067131154902  0.009810715656  -0.123301898462  0.000758887287  -0.003141641401  0.006268931121
  5  Al  0.004001684327  2.024565305329  6.091934009828  -0.013080247197  -0.020303095101  -0.043835109731  0.000560479937  -0.000077665642  0.002383025821
  6  Al  2.017043401567  8.095381624584  6.068511367125  -0.039941726055  0.114153911532  0.024128139115  -0.001172322841  -0.000563719397  -0.000908369252
  7  Al  2.022884805651  2.031137954394  4.067244632098  -0.013506114021  -0.046301572582  0.028542466963  -0.000314916976  0.000837292558  0.002487569383
  8  Al  8.087935259885  4.076927955708  8.061624442405  -0.004031135824  -0.077157045384  0.069731726137  -0.001725438303  0.003782663075  -0.005423495765
  9  Al  0.008815062772  6.071381245662  2.022145602679  0.004416630832  -0.002729248871  0.054671468415  0.001266051769  -0.000518572172  -0.000360742404
  10  Al  2.042111293917  4.018138988751  2.020462581326  -0.034129699586  0.201587423579  0.080746797437  0.002416322831  -0.004379859694  -0.000581129934
  11  Al  2.031787453059  6.084334044398  0.031746031439  -0.063660038782  0.012364319627  0.074305247539  0.000914014601  0.001346076197  0.004599748037
  12  Al  8.084133842966  4.060242586775  4.025483457767  0.104064594288  0.013511418556  0.099010805836  -0.002178127007  0.001477766039  -0.003418188596
  13  Al  0.002494553304  6.064841906450  6.048927870768  -0.002347181297  0.011850564510  0.051952555031  0.000357986793  -0.001440469891  -0.003680649415
  14  Al  2.020194434551  4.039045767022  6.086426469422  -0.060478769739  -0.082827028494  -0.060570844660  -0.000739843975  -0.001633849118  0.001582318580
  15  Al  2.052469977606  6.079238919796  4.021331413467  -0.119612220702  -0.044414966063  -0.028359700822  0.003822940141  0.000568904412  -0.004122497706
  16  Al  4.082468721032  0.034768696622  8.098599197555  -0.014443470517  -0.003049360304  0.093071642342  0.004624434531  0.004966001390  -0.000121598690
  17  Al  4.011307917374  1.994757944446  2.020357883085  0.133233525280  0.052971382586  -0.012956737790  -0.005415449774  -0.004276147868  -0.000673658839
  18  Al  6.100849788189  8.070758911016  1.990329570541  -0.126812671186  -0.017134775609  0.046362248154  0.003588354554  -0.004193333176  -0.004916030984
  19  Al  6.086046551772  2.058758220410  8.057954451233  -0.105010374634  -0.106368132127  0.001010516555  0.001490358760  0.004735818280  -0.006008900676
  20  Al  4.060053658726  0.036759793445  4.053443169946  -0.049371821819  -0.117440758520  -0.025492620505  0.001394630808  0.005152933124  0.000471217990
  21  Al  4.057511924157  2.014561046463  6.082136703122  0.020517537827  0.043837534485  0.073437566151  0.001089394139  -0.001455802321  0.001081570772
  22  Al  6.075335672793  0.002671373097  6.078934352026  0.013752809621  0.124684378355  0.043642112784  0.000061859388  0.000486385087  0.000599119916
  23  Al  6.101772331978  2.030333657790  4.040297931198  -0.083009726969  -0.006614907370  0.132812922225  0.003756766355  0.000756233294  -0.001272985088
  24  Al  4.056532895388  4.046409166427  0.037601448680  0.051911188208  -0.040487690985  -0.108679696234  0.000976407870  -0.000545314379  0.005282816139
  25  Al  4.037651649913  6.108542005520  2.056785485868  0.026311783245  -0.065173663323  -0.064723749529  -0.001745344363  0.004736114059  0.004488892409
  26  Al  6.057454352199  4.075133891751  2.001783338430  -0.007673540453  0.030753578592  0.041109533918  -0.002513669184  0.003618897237  -0.003284843879
  27  Al  6.061536611700  6.090115249702  0.030570316925  0.017046377072  -0.058147095884  -0.052946941075  -0.001906035918  0.002110985750  0.004325690960
  28  Al  4.057158560893  4.064098435085  4.075432335706  -0.018476032632  -0.007099461718  -0.117782120875  0.001006011428  0.002007266865  0.003532167708
  29  Al  4.020602477640  6.084585868905  6.119387514427  0.158362373154  -0.025947219856  -0.104107690889  -0.004065372371  0.001348076011  0.006250922310
  30  Al  6.083059202918  4.019341135185  6.081256790536  -0.006163685679  0.026350237011  0.023400408524  0.001148056209  -0.004359564068  0.000918874143
  31  Al  6.103223605506  6.062401630250  4.047275185105  -0.063186343386  0.035686324436  -0.082764506160  0.003979906372  -0.001770453828  -0.000457625772


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)
  -82.540056573592  -0.052533396322  0.006766715417
  -0.052533396322  -82.626357538433  -0.241302959474
  0.006766715417  -0.241302959474  -81.656502018053
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.067106930519  8.090403164082  8.084756913706  0.091339456466  0.007794423052  -0.070138915915  -0.004304327934  -0.001272884264  -0.002095048517
  1  Al  8.084599228752  2.002673943180  1.995151321278  0.088686122352  0.052230525365  0.001041550072  -0.001972361133  -0.002930473030  -0.003978868537
  2  Al  2.006242604014  8.069296342410  2.008481641680  0.042361197742  0.000210277055  0.071033098224  -0.002462216189  -0.004097235877  -0.002137325055
  3  Al  2.004935757034  2.015593238655  8.094439387389  0.019793424412  -0.013819006902  -0.121032711677  -0.002655385145  -0.001266376805  -0.000851596580
  4  Al  0.005292240927  8.076380256392  4.097726299083  0.072351645901  0.009807710225  -0.132145891194  0.000771356949  -0.003139887528  0.006246094272
  5  Al  0.004281339613  2.024525564967  6.093123563325  -0.012937551742  -0.022474197002  -0.047761771912  0.000558153964  -0.000081489901  0.002374837126
  6  Al  2.016455454765  8.095104867524  6.068058261018  -0.043588486522  0.120996420036  0.025871298851  -0.001179790382  -0.000542697127  -0.000903899338
  7  Al  2.022726743445  2.031554531009  4.068489692627  -0.015905401946  -0.049493377064  0.030691354276  -0.000317546345  0.000828728558  0.002492864844
  8  Al  8.087072360543  4.078815838353  8.058915811506  -0.003543923273  -0.081655542947  0.074563639180  -0.001726115508  0.003768465343  -0.005410595864
  9  Al  0.009448286078  6.071121837580  2.021967675272  0.004645541698  -0.002724009606  0.058671609715  0.001266861920  -0.000519059689  -0.000350609615
  10  Al  2.043317929747  4.015958069790  2.020175625712  -0.038701268624  0.215813015967  0.087400965085  0.002409811795  -0.004342544395  -0.000566097645
  11  Al  2.032241614778  6.085007635177  0.034049226876  -0.069090204909  0.012857190244  0.078262538836  0.000902146825  0.001348330981  0.004613387487
  12  Al  8.083049431112  4.060982073750  4.023778789216  0.112245210446  0.014165848043  0.105758030990  -0.002158789067  0.001480240367  -0.003399882409
  13  Al  0.002673441782  6.064122201221  6.047089868320  -0.002735077490  0.012982776028  0.055016023493  0.000357532443  -0.001438249808  -0.003671086501
  14  Al  2.019821809184  4.038225140124  6.087214921217  -0.065573147920  -0.087567749086  -0.065672248322  -0.000751112926  -0.001649082289  0.001571032538
  15  Al  2.054376101053  6.079521386669  4.019268896946  -0.129573850659  -0.047330811861  -0.028586025758  0.003800663085  0.000560702406  -0.004127588613
  16  Al  4.084780292680  0.037251561012  8.098542558479  -0.015611412835  -0.005001311836  0.099270447255  0.004621747646  0.004965281666  -0.000104403446
  17  Al  4.008606147977  1.992622238314  2.020020474504  0.141494947709  0.056377502346  -0.013310022925  -0.005390889246  -0.004266372156  -0.000676007069
  18  Al  6.102638296986  8.068661478510  1.987873627425  -0.134287574597  -0.018273037274  0.051017029353  0.003565012380  -0.004196498609  -0.004907325346
  19  Al  6.086787037226  2.061121374932  8.054950046065  -0.110479270005  -0.115173367074  0.002389405621  0.001471094141  0.004716012629  -0.006008596726
  20  Al  4.060748767227  0.039331010447  4.053677639431  -0.053698514953  -0.126603989495  -0.027086519303  0.001385416394  0.005131115700  0.000466517453
  21  Al  4.058057538353  2.013835104824  6.082680771141  0.021399543955  0.047016875813  0.077897252392  0.001093141496  -0.001447680002  0.001095099996
  22  Al  6.075367217233  0.002920138988  6.079235862771  0.015794146605  0.132228711636  0.046118086497  0.000064500865  0.000509352932  0.000607144413
  23  Al  6.103647004651  2.030711478753  4.039667375344  -0.087252958675  -0.007369911704  0.141744836138  0.003741544993  0.000754983061  -0.001248439822
  24  Al  4.057023419735  4.046134699452  0.040237998806  0.054723748572  -0.042719161857  -0.117450343435  0.000985940957  -0.000552753012  0.005262600276
  25  Al  4.036780153859  6.110907149310  2.059027038944  0.028460343169  -0.068975202535  -0.069662329240  -0.001740447774  0.004724121247  0.004476878391
  26  Al  6.056197174602  4.076944715044  2.000142754072  -0.005741678609  0.032976690449  0.045725169074  -0.002514868495  0.003624594677  -0.003277080919
  27  Al  6.060584355708  6.091168143423  0.032730795696  0.019129108903  -0.061784616291  -0.058117459070  -0.001902801856  0.002100263941  0.004315761883
  28  Al  4.057660740735  4.065101751175  4.077193154741  -0.020408020834  -0.006250331302  -0.124842311830  0.001002535222  0.002006073403  0.003510477258
  29  Al  4.018576870195  6.085258747079  6.122508322006  0.167842444359  -0.027305011153  -0.110750998342  -0.004036209896  0.001343315300  0.006231714098
  30  Al  6.083632955507  4.017162530997  6.081717273597  -0.005300457010  0.030069044994  0.022544213658  0.001147031323  -0.004354520225  0.000922981559
  31  Al  6.105210734285  6.061517998502  4.047042672676  -0.065838081687  0.038993623735  -0.088458999789  0.003968371681  -0.001763777495  -0.000472933030


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)
  -82.432212399951  -0.058889336012  0.007899681624
  -0.058889336012  -82.528328005581  -0.272921344976
  0.007899681624  -0.272921344976  -81.427551504466
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.064958849393  8.089767070358  8.083706254263  0.097820349608  0.009053294700  -0.074472823754  -0.004287417183  -0.001271378090  -0.002107976702
  1  Al  8.083617012423  2.001211041351  1.993161933567  0.094199923137  0.056216245586  0.000759284413  -0.001956011252  -0.002920777966  -0.003978707543
  2  Al  2.005013389450  8.067247733870  2.007416154306  0.045393629933  0.002334091833  0.075226603351  -0.002454370970  -0.004097008412  -0.002124249543
  3  Al  2.003608949220  2.014959432548  8.094008178980  0.020918674767  -0.014378399791  -0.127948052931  -0.002651745513  -0.001268897632  -0.000873855282
  4  Al  0.005681153494  8.074810751029  4.100843439345  0.076899356292  0.010910681621  -0.141493887410  0.000784699881  -0.003138035319  0.006221631073
  5  Al  0.004559838292  2.024483815427  6.094308846954  -0.013463683320  -0.024057897793  -0.050835093563  0.000555793713  -0.000085649837  0.002366022637
  6  Al  2.015863611185  8.094838927458  6.067607467787  -0.045360943492  0.128836109790  0.028418173664  -0.001187742397  -0.000520362278  -0.000899045898
  7  Al  2.022567259307  2.031966682952  4.069737496942  -0.016186206328  -0.052197729929  0.032437926770  -0.000320415311  0.000819637446  0.002498508556
  8  Al  8.086209144377  4.080696421051  8.056213846542  -0.003948541673  -0.087351898245  0.079772928544  -0.001726785329  0.003753356200  -0.005396798285
  9  Al  0.010081924692  6.070862185973  2.021794993064  0.003947457031  -0.003256091175  0.061933065929  0.001267630128  -0.000519594306  -0.000339827643
  10  Al  2.044521105712  4.013796444356  2.019896483681  -0.041473654478  0.228490407079  0.093212555600  0.002402644215  -0.004302823989  -0.000549950926
  11  Al  2.032689599884  6.085682375380  0.036359418926  -0.072708638764  0.012673447096  0.082048840681  0.000889470111  0.001350613402  0.004627719209
  12  Al  8.081975053899  4.061722827142  4.022083575358  0.119508827826  0.013638449974  0.112273887896  -0.002138070422  0.001482726051  -0.003380390512
  13  Al  0.002852085747  6.063403656642  6.045256784266  -0.004070629221  0.013397219348  0.058928109567  0.000356924018  -0.001435891455  -0.003660899978
  14  Al  2.019443321625  4.037396684733  6.087997501960  -0.068554832289  -0.093320939841  -0.070064582026  -0.000763103871  -0.001665253608  0.001558897763
  15  Al  2.056270640692  6.079799622202  4.017203824854  -0.137468448173  -0.050639563491  -0.028752600380  0.003776789696  0.000551943925  -0.004132714645
  16  Al  4.087090468679  0.039733978288  8.098494794110  -0.016322085152  -0.005845778691  0.105830961106  0.004618892815  0.004964311944  -0.000086067527
  17  Al  4.005917028127  1.990491572290  2.019681876016  0.150501647800  0.060517431171  -0.014175694647  -0.005364784961  -0.004255921833  -0.000678464272
  18  Al  6.104414800570  8.066562412407  1.985422245195  -0.143511259745  -0.018048805353  0.055306591140  0.003540177365  -0.004199745755  -0.004897820091
  19  Al  6.087517645913  2.063474233039  8.051945854508  -0.117451772955  -0.123238513645  0.004581319212  0.001450717270  0.004694698779  -0.006007973548
  20  Al  4.061439075120  0.041890909144  4.053909687400  -0.057394296225  -0.134728976760  -0.029077015924  0.001375484777  0.005107752720  0.000461496474
  21  Al  4.058605065653  2.013113366460  6.083231803118  0.022789364824  0.051048539148  0.082827853694  0.001097091953  -0.001438913025  0.001109468705
  22  Al  6.075400173658  0.003180726029  6.079541496440  0.016032831875  0.140632066168  0.049042148813  0.000067346174  0.000533746489  0.000615651670
  23  Al  6.105513876972  2.031088640851  4.039049491376  -0.093558252483  -0.007398315071  0.150116158804  0.003725380601  0.000753662792  -0.001222347659
  24  Al  4.057518836345  4.045856413415  0.042864048956  0.058277223608  -0.046167314106  -0.126141446682  0.000996043162  -0.000560699399  0.005240823345
  25  Al  4.035911202139  6.113266126767  2.061262364258  0.031611734734  -0.073203813830  -0.075104377317  -0.001735077373  0.004711410545  0.004463936351
  26  Al  6.054939483704  4.078758486429  1.998506257511  -0.005570994080  0.033733927299  0.049731976860  -0.002515879839  0.003630558559  -0.003268547119
  27  Al  6.059633809844  6.092215513643  0.034886078808  0.019432810940  -0.066410466028  -0.063416278272  -0.001899354448  0.002088803393  0.004304896854
  28  Al  4.058161096114  4.066104508489  4.078942812964  -0.021425756777  -0.006506248931  -0.131933886209  0.000998795312  0.002004932974  0.003487521651
  29  Al  4.016566267744  6.085929184205  6.125619228525  0.178071715106  -0.029502666029  -0.116845830267  -0.004005285419  0.001338236734  0.006211367105
  30  Al  6.084206234240  4.014986614960  6.082179772095  -0.006341823419  0.033121369276  0.022089858037  0.001145990511  -0.004348871047  0.000926971813
  31  Al  6.107191977187  6.060637852756  4.046802252075  -0.070593728909  0.041650138621  -0.094276674699  0.003956174775  -0.001756568000  -0.000489269468


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)
  -82.318464399928  -0.065633181941  0.009230269937
  -0.065633181941  -82.423933624603  -0.307021728758
  0.009230269937  -0.307021728758  -81.183956181517
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.062819513336  8.089131785991  8.082648937004  0.106385105474  0.010015586799  -0.077966077862  -0.004269161362  -0.001269673346  -0.002121604630
  1  Al  8.082643217500  1.999753165214  1.991172613735  0.101878752232  0.058786626250  0.002484842319  -0.001938481959  -0.002910496792  -0.003978417521
  2  Al  2.003788233043  8.065199333997  2.006357392137  0.046100507394  0.004657057256  0.080650410455  -0.002446191460  -0.004096383409  -0.002110314250
  3  Al  2.002284011521  2.014324341022  8.093565532107  0.019782752852  -0.016549728012  -0.133787369019  -0.002648106834  -0.001271662585  -0.000897254240
  4  Al  0.006076940808  8.073242221073  4.103947930156  0.083144969065  0.012212413201  -0.151900678926  0.000799007729  -0.003135968131  0.006195401810
  5  Al  0.004837133326  2.024439915129  6.095489585962  -0.011839101668  -0.027123474871  -0.055654591234  0.000553531662  -0.000090225415  0.002356502536
  6  Al  2.015267712368  8.094584505246  6.067159215120  -0.049160548850  0.136514026126  0.029771443058  -0.001196192550  -0.000496640167  -0.000893843788
  7  Al  2.022406328133  2.032374168456  4.070988201183  -0.019131714947  -0.056118206128  0.033163928931  -0.000323572708  0.000809954079  0.002504373315
  8  Al  8.085345575215  4.082569194552  8.053519013220  -0.002088684349  -0.092624326219  0.085853565635  -0.001727325052  0.003737266455  -0.005381991396
  9  Al  0.010715916207  6.070602243274  2.021627847628  0.005309428210  -0.002443495352  0.066432617362  0.001268457687  -0.000520103845  -0.000328351844
  10  Al  2.045720573962  4.011655245801  2.019625674785  -0.046708147868  0.241216543836  0.100603085450  0.002394760825  -0.004260832525  -0.000532623948
  11  Al  2.033131084889  6.086358248579  0.038676946085  -0.078391411644  0.013798157032  0.086684486936  0.000875961875  0.001352979944  0.004642803847
  12  Al  8.080911360690  4.062464799801  4.020398398704  0.129185493353  0.012812994898  0.117765266879  -0.002115837329  0.001485090791  -0.003359825177
  13  Al  0.003030365800  6.062686309765  6.043428968343  -0.003349598011  0.015328522876  0.061495027662  0.000356260655  -0.001433323395  -0.003650134236
  14  Al  2.019058705314  4.036559886517  6.088773818980  -0.073907177604  -0.098825466311  -0.076155134413  -0.000775839872  -0.001682431358  0.001545825826
  15  Al  2.058152890749  6.080073330594  4.015136182301  -0.147603483006  -0.052880098042  -0.029504579212  0.003751304471  0.000542689342  -0.004137922795
  16  Al  4.089399185495  0.042215872955  8.098456490952  -0.019015741944  -0.007300603562  0.112979352155  0.004615733638  0.004963136666  -0.000066506043
  17  Al  4.003241363016  1.988366316480  2.019342010232  0.157016703338  0.063264753960  -0.013670527888  -0.005337293042  -0.004244855795  -0.000680953704
  18  Al  6.106178474350  8.064461732754  1.982975807334  -0.150148407797  -0.017890222167  0.061247161982  0.003513924402  -0.004202958679  -0.004887400270
  19  Al  6.088237754496  2.065816073711  8.048942072517  -0.122102240717  -0.133026335490  0.007611706502  0.001429301313  0.004671788885  -0.006006883500
  20  Al  4.062124252004  0.044438763168  4.054139135904  -0.063035221673  -0.143160108445  -0.031642798626  0.001364718464  0.005082909636  0.000456068166
  21  Al  4.059154630306  2.012396191799  6.083790239846  0.022185895063  0.053406891530  0.086289301899  0.001101112709  -0.001429574785  0.001124587657
  22  Al  6.075434563407  0.003453885477  6.079851514441  0.018386769015  0.148798238335  0.050547604928  0.000070423262  0.000559621350  0.000624554922
  23  Al  6.107372385252  2.031465141546  4.038445027685  -0.097098596421  -0.008993545311  0.157565796021  0.003708336016  0.000752197372  -0.001194841113
  24  Al  4.058019462897  4.045574000053  0.045478822151  0.059603529168  -0.049199865533  -0.133798585783  0.001006581617  -0.000569225156  0.005217584893
  25  Al  4.035045076486  6.115618559855  2.063490975295  0.032594405587  -0.075985715158  -0.079556552382  -0.001729337391  0.004698073109  0.004450109775
  26  Al  6.053681294763  4.080575273603  1.996874206953  -0.002886609295  0.034489168276  0.055324379013  -0.002516635943  0.003636657654  -0.003259155156
  27  Al  6.058685001260  6.093256946815  0.037035692551  0.021829641023  -0.069203992037  -0.067912070216  -0.001895665615  0.002076679558  0.004293156195
  28  Al  4.058659536047  4.067106684149  4.080680676392  -0.024817121857  -0.006461601774  -0.139815304041  0.000994661232  0.002003773658  0.003463227469
  29  Al  4.014571584777  6.086596983813  6.128719689111  0.185858433205  -0.029888580105  -0.124062853617  -0.003972750325  0.001332927199  0.006189830042
  30  Al  6.084778946018  4.012813659950  6.082644245410  -0.005031419364  0.036179652996  0.019893222296  0.001144973751  -0.004342675586  0.000930725070
  31  Al  6.109166909061  6.059761430502  4.046553403207  -0.072947157964  0.046194731148  -0.100936076265  0.003943342323  -0.001748714732  -0.000506721348


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)
  -82.197211563473  -0.072560082416  0.010955125252
  -0.072560082416  -82.313363125356  -0.342405638030
  0.010955125252  -0.342405638030  -80.928247875064
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.060689688031  8.088497397012  8.081584649633  0.110339221505  0.010055761284  -0.083453954604  -0.004249786364  -0.001267878982  -0.002136035465
  1  Al  8.081678530464  1.998300544559  1.989183516046  0.104880601145  0.064342883667  0.000942118879  -0.001919997822  -0.002899489103  -0.003978111153
  2  Al  2.002567197989  8.063151350462  2.005305840056  0.049976301967  0.005862275584  0.083587233177  -0.002437602263  -0.004095442988  -0.002095631523
  3  Al  2.000960842386  2.013687769963  8.093110924740  0.021992055581  -0.015399722367  -0.141892257121  -0.002644372196  -0.001274518843  -0.000921899800
  4  Al  0.006480161222  8.071674782898  4.107038841155  0.085632672051  0.012270363238  -0.159713947798  0.000814096328  -0.003133779388  0.006167543687
  5  Al  0.005113369954  2.024393590012  6.096665349490  -0.014448229270  -0.027324696068  -0.057628611927  0.000551181594  -0.000095093042  0.002346375099
  6  Al  2.014667418634  8.094342287291  6.066713623999  -0.049528879337  0.142923258776  0.033520995531  -0.001205015314  -0.000471658675  -0.000888185490
  7  Al  2.022243686599  2.032776637032  4.072241870256  -0.018327513734  -0.057346390978  0.036264656123  -0.000326921536  0.000799810426  0.002510580180
  8  Al  8.084481819325  4.084433687506  8.050831855146  -0.004620300818  -0.097065348109  0.089514855963  -0.001727924831  0.003720308334  -0.005366313585
  9  Al  0.011350382380  6.070342082129  2.021466641220  0.002178379460  -0.004424139604  0.068275577582  0.001269127092  -0.000520717806  -0.000316309028
  10  Al  2.046915866537  4.009535611831  2.019363859733  -0.048449354796  0.254663781172  0.105252123074  0.002386253813  -0.004216501181  -0.000514220640
  11  Al  2.033565561758  6.087035355324  0.041002222774  -0.080680284554  0.011798012100  0.088371038403  0.000861740980  0.001355268223  0.004658453685
  12  Al  8.079859216570  4.063207917933  4.018723750180  0.134034706207  0.013234730643  0.125532275662  -0.002092305633  0.001487419439  -0.003338074552
  13  Al  0.003208346402  6.061970333248  6.041606650030  -0.007107266831  0.014012321971  0.066693612690  0.000355325819  -0.001430700344  -0.003638674264
  14  Al  2.018667481753  4.035714253375  6.089543327786  -0.075629193696  -0.103035454025  -0.079089473545  -0.000789208316  -0.001700477579  0.001531947070
  15  Al  2.060021945162  6.080342311543  4.013065902059  -0.154422297261  -0.057612620147  -0.027760547270  0.003724303583  0.000532811372  -0.004143042256
  16  Al  4.091706202317  0.044697114954  8.098428288067  -0.017139207996  -0.009538826048  0.117811602947  0.004612501412  0.004961631234  -0.000045873497
  17  Al  4.000579735085  1.986246716495  2.019000922312  0.168283971024  0.068991675893  -0.015880863120  -0.005308211396  -0.004233032165  -0.000683595577
  18  Al  6.107928724971  8.062359453729  1.980534844925  -0.160305194093  -0.018433497531  0.064014160724  0.003486170073  -0.004206205993  -0.004876201998
  19  Al  6.088946947227  2.068146021924  8.045938971008  -0.130134898112  -0.139982205977  0.009222792972  0.001406751495  0.004647382118  -0.006005378508
  20  Al  4.062803793584  0.046973818781  4.054365755565  -0.064682628747  -0.152165649188  -0.031921071280  0.001353300580  0.005056507726  0.000450385602
  21  Al  4.059706178362  2.011683791676  6.084356390775  0.025816895235  0.058957346800  0.092400684855  0.001105404124  -0.001419529502  0.001140562413
  22  Al  6.075470596920  0.003740347380  6.080166051362  0.017312604323  0.155780368078  0.054908315813  0.000073614760  0.000586850458  0.000633982605
  23  Al  6.109222212988  2.031840838223  4.037854650263  -0.104501741826  -0.007330065460  0.167009010443  0.003690313091  0.000750738053  -0.001165824359
  24  Al  4.058525417962  4.045287188259  0.048081633849  0.065097688902  -0.051650447968  -0.144252118254  0.001017729816  -0.000578241102  0.005192727360
  25  Al  4.034181864749  6.117964199875  2.065712474033  0.038228895017  -0.081584922223  -0.086471907208  -0.001723005839  0.004683986407  0.004435266951
  26  Al  6.052422847761  4.082395144083  1.995247102355  -0.003378471586  0.035880938574  0.058464260311  -0.002517196037  0.003642948691  -0.003248982534
  27  Al  6.057738144229  6.094292193201  0.039179235003  0.020974874538  -0.075022739169  -0.075162029031  -0.001891838922  0.002063785792  0.004280365473
  28  Al  4.059155757346  4.068108282146  4.082406040433  -0.023456121003  -0.005525644531  -0.145078796519  0.000990345639  0.002002702006  0.003437758141
  29  Al  4.012593517419  6.087262111404  6.131809058567  0.197930975324  -0.033501874063  -0.128410587941  -0.003938439828  0.001327260138  0.006167259098
  30  Al  6.085351207991  4.010643939375  6.083110497165  -0.007213375372  0.041018257708  0.019976963014  0.001143879076  -0.004335774148  0.000934289436
  31  Al  6.111135319511  6.058889138023  4.046295530727  -0.078654883247  0.047152267972  -0.105046112544  0.003929789210  -0.001740369578  -0.000525136007


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)
  -82.070540177306  -0.080267075661  0.012125374409
  -0.080267075661  -82.196663767678  -0.379335092150
  0.012125374409  -0.379335092150  -80.658230359186
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.058569726973  8.087863907009  8.080512901539  0.119371907530  0.011101498013  -0.087091554155  -0.004229250354  -0.001265987538  -0.002151282111
  1  Al  8.080723219678  1.996853676111  1.987194502582  0.112661426063  0.066021949129  0.002691983286  -0.001900549721  -0.002887834580  -0.003977786267
  2  Al  2.001350630781  8.061103891009  2.004261760614  0.049684744150  0.008733356842  0.089133301518  -0.002428692637  -0.004094138149  -0.002080190432
  3  Al  1.999639639324  2.013049822180  8.092643632307  0.019388941485  -0.018608699866  -0.147565947322  -0.002640672765  -0.001277559171  -0.000947777155
  4  Al  0.006891037136  8.070108441685  4.110115473843  0.092000127422  0.013364032292  -0.169627426683  0.000829976573  -0.003131487692  0.006138100805
  5  Al  0.005388314920  2.024344822087  6.097835961061  -0.012425206653  -0.031516988248  -0.062802886461  0.000548779128  -0.000100353447  0.002335608610
  6  Al  2.014062697054  8.094112846571  6.066271029630  -0.054087035028  0.149918661700  0.034581878427  -0.001214278502  -0.000445478818  -0.000882097142
  7  Al  2.022079406597  2.033173978882  4.073498781364  -0.021967025781  -0.062090305780  0.037095060908  -0.000330523839  0.000789132871  0.002517138486
  8  Al  8.083617650384  4.086289502887  8.048152699635  -0.002461624835  -0.102366077207  0.095413282725  -0.001728557950  0.003702479309  -0.005349781143
  9  Al  0.011985043298  6.070081525468  2.021311538600  0.003395533667  -0.002646250976  0.073040161785  0.001269625396  -0.000521349894  -0.000303675503
  10  Al  2.048106827774  4.007438744620  2.019111454145  -0.054984403805  0.266857895553  0.113138853526  0.002377006909  -0.004169877518  -0.000494696644
  11  Al  2.033992825869  6.087713516803  0.043335399770  -0.087145924507  0.013845957180  0.091932089253  0.000846737437  0.001357560776  0.004674572655
  12  Al  8.078819055057  4.063952219240  4.017060324152  0.143830174643  0.012302625853  0.131103108900  -0.002067464712  0.001489702460  -0.003315131534
  13  Al  0.003385691619  6.061255609421  6.039790294079  -0.006316867621  0.017085373266  0.068710893223  0.000354125711  -0.001427920233  -0.003626569198
  14  Al  2.018269496998  4.034859408938  6.090305766050  -0.081530342129  -0.108050827797  -0.085532480163  -0.000803258265  -0.001719348541  0.001517229986
  15  Al  2.061877194333  6.080606141966  4.010993140044  -0.165535650851  -0.058780784718  -0.027394435548  0.003695699573  0.000522405886  -0.004147973072
  16  Al  4.094011686906  0.047177504189  8.098410617454  -0.019873571551  -0.011566593208  0.124547853661  0.004609192496  0.004959744424  -0.000024206736
  17  Al  3.997933151621  1.984133284315  2.018658414654  0.174413481021  0.070366460243  -0.014640462731  -0.005277574490  -0.004220573648  -0.000686324162
  18  Al  6.109664644423  8.060255526761  1.978099605336  -0.165985690354  -0.017782275890  0.070508952474  0.003456999903  -0.004209443657  -0.004864175728
  19  Al  6.089644505991  2.070463455829  8.042936694009  -0.133497404807  -0.150951296395  0.012697475060  0.001383182957  0.004621372873  -0.006003418852
  20  Al  4.063477552584  0.049495270894  4.054589521506  -0.070609296367  -0.160383783597  -0.034269834131  0.001341205580  0.005028566032  0.000444468182
  21  Al  4.060260034430  2.010976662297  6.084930802259  0.025000207182  0.060555604356  0.095209475278  0.001109947136  -0.001408845131  0.001157334626
  22  Al  6.075508178167  0.004040735935  6.080485497046  0.020509120941  0.163388377140  0.055968123086  0.000076995995  0.000615383914  0.000643894879
  23  Al  6.111062698343  2.032215879598  4.037279203326  -0.107114736996  -0.010007277813  0.174290125998  0.003671394730  0.000749188107  -0.001135312462
  24  Al  4.059037192713  4.044995758951  0.050671549512  0.066217000959  -0.054460894480  -0.152838908923  0.001029469255  -0.000587727379  0.005166167636
  25  Al  4.033322070647  6.120302546262  2.067926242246  0.039406428602  -0.083123307011  -0.090703116346  -0.001716065297  0.004669261610  0.004419427631
  26  Al  6.051164098726  4.084218222294  1.993625224419  0.000725595133  0.036530577742  0.064758879722  -0.002517433202  0.003649422229  -0.003237966474
  27  Al  6.056793162338  6.095320732607  0.041316058024  0.024038922736  -0.076884104581  -0.080488452841  -0.001887814721  0.002050205429  0.004266450432
  28  Al  4.059649881685  4.069109386155  4.084118434534  -0.027124016708  -0.005334735486  -0.152145493805  0.000985823811  0.002001731096  0.003411186504
  29  Al  4.010633144948  6.087924243952  6.134886948209  0.205037299671  -0.032916603809  -0.135444764991  -0.003902414755  0.001321322374  0.006143670620
  30  Al  6.085922825094  4.008477885802  6.083578534845  -0.005228394787  0.044735934797  0.016917284407  0.001142766790  -0.004328107785  0.000937587755
  31  Al  6.113096698270  6.058021060924  4.046028267200  -0.079793718427  0.052662502755  -0.111193019136  0.003915624019  -0.001731446209  -0.000544467630


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)
  -81.936202255913  -0.087355271118  0.014522932880
  -0.087355271118  -82.073713013487  -0.418068098403
  0.014522932880  -0.418068098403  -80.376189627756
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.056460437677  8.087231409473  8.079433367522  0.124808306586  0.011848894453  -0.091278124472  -0.004207420819  -0.001263935790  -0.002167228232
  1  Al  8.079777980743  1.995412709978  1.985205729779  0.116936844070  0.071059194687  0.002379474923  -0.001880023801  -0.002875579625  -0.003977332882
  2  Al  2.000138505353  8.059057212313  2.003225649624  0.052906391999  0.011512672664  0.092798006749  -0.002419521063  -0.004092328169  -0.002063925904
  3  Al  1.998320169621  2.012410210792  8.092163147584  0.020916126859  -0.018206447456  -0.153894873601  -0.002637069521  -0.001280850419  -0.000974727536
  4  Al  0.007310137795  8.068543295207  4.113176941960  0.095430362252  0.014402986710  -0.178868023926  0.000846732724  -0.003129005340  0.006106945562
  5  Al  0.005662149082  2.024293236566  6.099000958099  -0.013651190170  -0.032345879139  -0.065822176927  0.000546447917  -0.000106062741  0.002324109622
  6  Al  2.013453140132  8.093896808473  6.065831526857  -0.054642144014  0.156684882528  0.037722857387  -0.001223998813  -0.000418068682  -0.000875633150
  7  Al  2.021913162760  2.033565769903  4.074759008743  -0.021806404857  -0.063680979380  0.038673002599  -0.000334437152  0.000777889009  0.002523912097
  8  Al  8.082753261375  4.088136166814  8.045482074003  -0.003756347224  -0.107341641457  0.100345899816  -0.001729113832  0.003683731589  -0.005332280413
  9  Al  0.012620007775  6.069820732235  2.021162965718  0.001314927635  -0.004094811977  0.075459549976  0.001270046508  -0.000521952540  -0.000290399735
  10  Al  2.049292873446  4.005365734313  2.018869163089  -0.057461289146  0.278981761893  0.118725458264  0.002366954345  -0.004121079846  -0.000473968141
  11  Al  2.034412299196  6.088392916100  0.045676795428  -0.089652731996  0.012224454922  0.094185682490  0.000830931765  0.001359891452  0.004691211450
  12  Al  8.077791751858  4.064697620393  4.015408618647  0.150076251401  0.011364460898  0.137435639628  -0.002041189689  0.001491818281  -0.003291124363
  13  Al  0.003562472112  6.060542413015  6.037980080832  -0.009011352750  0.016429748801  0.073188216440  0.000352755379  -0.001424924005  -0.003613883520
  14  Al  2.017864223488  4.033994904834  6.091060557772  -0.083487707062  -0.112667308997  -0.089571910001  -0.000818010760  -0.001739080583  0.001501575779
  15  Al  2.063717644735  6.080864717429  4.008917928987  -0.172690262249  -0.063045955245  -0.026069984057  0.003665462420  0.000511514663  -0.004152752752
  16  Al  4.096315394813  0.049656859378  8.098404081330  -0.019404944041  -0.013708510524  0.130259155865  0.004605681025  0.004957484848  -0.000001427173
  17  Al  3.995302160596  1.982026142846  2.018314598150  0.183881047271  0.075582511137  -0.015820516568  -0.005245543217  -0.004207525915  -0.000689047352
  18  Al  6.111385724874  8.058150010072  1.975670669197  -0.175281845742  -0.017154263134  0.074698477387  0.003426490831  -0.004212566958  -0.004851194288
  19  Al  6.090330130183  2.072767394797  8.039935552156  -0.140647167908  -0.158609081990  0.015987359370  0.001358674629  0.004593698398  -0.006000854448
  20  Al  4.064144999164  0.052002384812  4.054810223748  -0.073461402744  -0.168787159082  -0.035543458236  0.001328325763  0.004999138386  0.000438226924
  21  Al  4.060816125498  2.010274946545  6.085513725402  0.027281701376  0.065608880104  0.100154714841  0.001114621101  -0.001397566117  0.001174800045
  22  Al  6.075547592915  0.004355731294  6.080809946241  0.019770313172  0.170589281535  0.059231557152  0.000080596947  0.000645241277  0.000654193648
  23  Al  6.112893607718  2.032590026330  4.036719337800  -0.113646693151  -0.009029566770  0.182156183911  0.003651658817  0.000747486227  -0.001103446418
  24  Al  4.059554887216  4.044699460879  0.053247801486  0.070388593485  -0.057288617148  -0.162233735411  0.001041681696  -0.000597717705  0.005138000369
  25  Al  4.032465799452  6.122633461485  2.070131901664  0.044075301061  -0.088044845642  -0.097180371342  -0.001708602090  0.004653959300  0.004402630982
  26  Al  6.049905414559  4.086044566312  1.992009135881  0.001168198148  0.036840628184  0.068924454660  -0.002517263898  0.003655981562  -0.003226015280
  27  Al  6.055850329509  6.096342398630  0.043445685435  0.023452858386  -0.082194360109  -0.087116848529  -0.001883568990  0.002035983929  0.004251466639
  28  Al  4.060141581157  4.070110013243  4.085817226937  -0.027243663099  -0.004974080428  -0.158121629404  0.000980963379  0.002000809496  0.003383448846
  29  Al  4.008691102664  6.088583433779  6.137952729187  0.215502997258  -0.035822473192  -0.140296960217  -0.003864818755  0.001315177150  0.006119019508
  30  Al  6.086493974782  4.006315831590  6.084048084919  -0.007022932148  0.049291395508  0.015640030155  0.001141671530  -0.004319701809  0.000940498355
  31  Al  6.115050943529  6.057157691814  4.045751063098  -0.085042142656  0.054574227644  -0.116147108920  0.003900887812  -0.001721859323  -0.000564791674


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)
  -81.796105291790  -0.095147565092  0.016439439064
  -0.095147565092  -81.944469521697  -0.458208484839
  0.016439439064  -0.458208484839  -80.081263346869
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.054362306154  8.086599971220  8.078345673307  0.132595891665  0.012915104095  -0.094867009804  -0.004184409068  -0.001261721906  -0.002183869473
  1  Al  8.078843195877  1.993978096486  1.983217169700  0.123399237621  0.074011701181  0.003230068009  -0.001858537928  -0.002862610391  -0.003976831393
  2  Al  1.998931109718  8.057011562841  2.002197834710  0.054101450188  0.014948982526  0.097399151607  -0.002409954639  -0.004089962516  -0.002046922414
  3  Al  1.997002569803  2.011768971761  8.091668904771  0.020038449092  -0.019989887574  -0.159294716350  -0.002633408211  -0.001284265144  -0.001002726460
  4  Al  0.007737769860  8.066979436345  4.116222419405  0.100666797406  0.015833185431  -0.188949061634  0.000864263669  -0.003126302248  0.006074062980
  5  Al  0.005934762837  2.024238759346  6.100160070682  -0.012567810373  -0.035297210426  -0.070035967678  0.000544103957  -0.000112109985  0.002311964001
  6  Al  2.012838698241  8.093694777890  6.065395396480  -0.057061513856  0.163442293118  0.040007826769  -0.001233985039  -0.000389449543  -0.000868684083
  7  Al  2.021744969445  2.033951867891  4.076022693460  -0.023733664966  -0.067177694755  0.039435636352  -0.000338508402  0.000766190338  0.002530894953
  8  Al  8.081888536552  4.089973234476  8.042820419222  -0.002647447666  -0.112547086237  0.106181283425  -0.001729686327  0.003664073695  -0.005313817031
  9  Al  0.013255089806  6.069559572928  2.021021138865  0.001335300595  -0.003525350488  0.078928082054  0.001270283436  -0.000522633777  -0.000276597592
  10  Al  2.050473782119  4.003317664774  2.018637486004  -0.062348589594  0.290640484217  0.125417647398  0.002356243428  -0.004070156027  -0.000452141923
  11  Al  2.034823757633  6.089073408255  0.048026611219  -0.094103743773  0.012659817816  0.096864249185  0.000814504068  0.001362116088  0.004708291176
  12  Al  8.076777865368  4.065444037521  4.013769199789  0.158669591862  0.009981235604  0.143063314006  -0.002013588033  0.001493726571  -0.003266047958
  13  Al  0.003738446998  6.059830685416  6.036176410559  -0.009621134384  0.018032740767  0.076572016025  0.000351089648  -0.001421843083  -0.003600495063
  14  Al  2.017451486238  4.033120328355  6.091807341829  -0.087410982395  -0.117356386064  -0.094986568042  -0.000833288980  -0.001759644536  0.001485076384
  15  Al  2.065542656752  6.081117656629  4.006840387292  -0.181809696110  -0.065461671575  -0.025007441152  0.003633770379  0.000500026173  -0.004157319038
  16  Al  4.098617367931  0.052134989037  8.098409190281  -0.021118617037  -0.016084090332  0.136540284364  0.004602058248  0.004954821411  0.000022424505
  17  Al  3.992687608404  1.979925758400  2.017969367303  0.191039151860  0.078492591890  -0.015558235760  -0.005212025621  -0.004193751712  -0.000691852589
  18  Al  6.113091135254  8.056042959803  1.973248411048  -0.182345247684  -0.015938640235  0.080351298637  0.003394519226  -0.004215525440  -0.004837332950
  19  Al  6.091003180620  2.075057154227  8.036935839561  -0.145282032791  -0.168653089725  0.020342455367  0.001333112764  0.004564441395  -0.005997606589
  20  Al  4.064805878347  0.054494409280  4.055027748430  -0.078327120789  -0.177014130478  -0.037496816181  0.001314755978  0.004968224000  0.000431697176
  21  Al  4.061374655531  2.009579096180  6.086105602304  0.027233350831  0.068421855226  0.103660432201  0.001119494708  -0.001385583865  0.001193020972
  22  Al  6.075588775114  0.004685977212  6.081139690694  0.021050709413  0.177684753742  0.061241534103  0.000084246317  0.000676376725  0.000664963855
  23  Al  6.114714357160  2.032963365825  4.036175756907  -0.117952733585  -0.010245706821  0.189043233143  0.003630953995  0.000745763031  -0.001070261458
  24  Al  4.060078874409  4.044398041246  0.055809549880  0.072183844912  -0.060010545937  -0.171022655797  0.001054427570  -0.000608204166  0.005108207487
  25  Al  4.031613468557  6.124956505562  2.072328873228  0.046513783637  -0.090677987329  -0.102630119102  -0.001700503491  0.004637981608  0.004384768068
  26  Al  6.048646834828  4.087874203855  1.990399209139  0.003907179399  0.036653642290  0.074518930581  -0.002516810163  0.003662551897  -0.003213191544
  27  Al  6.054909593348  6.097356716536  0.045567524662  0.024763569743  -0.085231087107  -0.093375616884  -0.001879258476  0.002021016215  0.004235330742
  28  Al  4.060630845065  4.071110195651  4.087501883380  -0.029699427083  -0.004734345136  -0.164669375622  0.000975872708  0.001999941569  0.003354591563
  29  Al  4.006768326194  6.089239421102  6.141005967717  0.223414134643  -0.036446171829  -0.146102395326  -0.003825579879  0.001308716386  0.006093415611
  30  Al  6.087064496624  4.004158183993  6.084519033201  -0.006713377966  0.053788129234  0.012838669790  0.001140443514  -0.004310486574  0.000943044331
  31  Al  6.116997586082  6.056299201601  4.045463475527  -0.088169302814  0.058884564913  -0.121640133681  0.003885402833  -0.001711716188  -0.000586049682


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)
  -81.648219269405  -0.102380050895  0.019514533122
  -0.102380050895  -81.809190388723  -0.499370704780
  0.019514533122  -0.499370704780  -79.775065378035
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.052276028609  8.085969687567  8.077249498050  0.136867256631  0.013713234960  -0.098840152156  -0.004160319257  -0.001259341352  -0.002201186753
  1  Al  8.077919442815  1.992550099587  1.981228898386  0.126364162881  0.079789191017  0.002166520421  -0.001836209260  -0.002848860702  -0.003976348942
  2  Al  1.997728550714  8.054967249797  2.001178727210  0.058449075031  0.018379408041  0.100467102146  -0.002399892703  -0.004086982981  -0.002029233314
  3  Al  1.995686761409  2.011125945648  8.091160421125  0.022893831481  -0.018745940072  -0.165202651089  -0.002629570096  -0.001287728099  -0.001031736291
  4  Al  0.008174401464  8.065416992959  4.119251004940  0.103146182288  0.017077437101  -0.198231875087  0.000882484402  -0.003123360062  0.006039449282
  5  Al  0.006206253039  2.024181126581  6.101312922100  -0.014827900974  -0.035378758864  -0.072493656672  0.000541654800  -0.000118428365  0.002299221955
  6  Al  2.012219155092  8.093507358930  6.064962842773  -0.055790361379  0.169631824556  0.043761237341  -0.001244073916  -0.000359672956  -0.000861195189
  7  Al  2.021574654358  2.034331960241  4.077289903695  -0.022115344128  -0.068069702650  0.040830928188  -0.000342607270  0.000754099318  0.002538070726
  8  Al  8.081023575048  4.091800240510  8.040168256971  -0.005133360492  -0.117473388030  0.111138215029  -0.001730381925  0.003643510031  -0.005294388825
  9  Al  0.013890291211  6.069298098457  2.020886368125  -0.002084622928  -0.005743004288  0.080457343149  0.001270216447  -0.000523462362  -0.000262348650
  10  Al  2.051649116874  4.001295578286  2.018417021166  -0.063724096668  0.302059229810  0.130328074776  0.002344972621  -0.004017169099  -0.000429278440
  11  Al  2.035226803264  6.089755032188  0.050385086605  -0.095074981196  0.010091687851  0.098050902742  0.000797591626  0.001364150056  0.004725716450
  12  Al  8.075778163825  4.066191346964  4.012142570689  0.163670397599  0.008706239049  0.149277407606  -0.001984771070  0.001495397218  -0.003239912908
  13  Al  0.003913561760  6.059120569932  6.034379585769  -0.013666434402  0.016478534244  0.081893023481  0.000349007756  -0.001418757800  -0.003586328403
  14  Al  2.017030934508  4.032235260298  6.092545634155  -0.087478345801  -0.121534965412  -0.098289245899  -0.000848923960  -0.001781001251  0.001467797665
  15  Al  2.067351415114  6.081364743602  4.004760609950  -0.187467250331  -0.070274598149  -0.022769351192  0.003600757285  0.000487891448  -0.004161590248
  16  Al  4.100917453061  0.054611680790  8.098426505835  -0.019577515996  -0.018459913954  0.141895075464  0.004598420043  0.004951733202  0.000047316426
  17  Al  3.990090134975  1.977832391134  2.017622745560  0.201562022560  0.084493791047  -0.017321870483  -0.005176927358  -0.004179180847  -0.000694792047
  18  Al  6.114780244100  8.053934484631  1.970833336247  -0.192748877929  -0.014699832322  0.083949118471  0.003360986081  -0.004218264498  -0.004822644611
  19  Al  6.091663242947  2.077331836192  8.033937945567  -0.153471744990  -0.175697322123  0.024538225675  0.001306404391  0.004533656716  -0.005993594288
  20  Al  4.065459755142  0.056970608812  4.055241920924  -0.080332738594  -0.185322990310  -0.038443906423  0.001300571901  0.004935831322  0.000424908130
  21  Al  4.061935620205  2.008889362680  6.086706746374  0.030385926452  0.074433446134  0.109073548486  0.001124645829  -0.001372812704  0.001212039237
  22  Al  6.075631839232  0.005032108019  6.081474910097  0.018732629639  0.184297630890  0.065101864959  0.000087802919  0.000708737690  0.000676258864
  23  Al  6.116524561713  2.033335789361  4.035649076343  -0.125791735268  -0.008370143778  0.196459055463  0.003609163415  0.000744098787  -0.001035797831
  24  Al  4.060609314786  4.044091256713  0.058356008973  0.077257806647  -0.062926481242  -0.181075217097  0.001067787546  -0.000619194648  0.005076730191
  25  Al  4.030765295961  6.127271443093  2.074516669733  0.052729613375  -0.096087810018  -0.109843824366  -0.001691631203  0.004621284880  0.004365773051
  26  Al  6.047388604396  4.089707118208  1.988795944336  0.003406962860  0.036362293658  0.078321490754  -0.002516156284  0.003669079469  -0.003199527721
  27  Al  6.053971071033  6.098363414845  0.047681016177  0.022759280662  -0.091396865242  -0.100901155832  -0.001875009967  0.002005225803  0.004217962538
  28  Al  4.061117453865  4.072109954812  4.089171818499  -0.028617036156  -0.004389355265  -0.170005589516  0.000970659258  0.001999125917  0.003324671861
  29  Al  4.004865522786  6.089892150164  6.144046144798  0.234649766680  -0.040139363798  -0.149965217793  -0.003784629296  0.001301869694  0.006066947380
  30  Al  6.087634418296  4.002005345016  6.084991129250  -0.010054414991  0.059227615041  0.011702920902  0.001138944486  -0.004300383048  0.000945238331
  31  Al  6.118936346362  6.055445975626  4.045165013416  -0.094918152564  0.059968872118  -0.126028341445  0.003869034946  -0.001701090776  -0.000608191065


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)
  -81.495327944619  -0.110705275820  0.022091161135
  -0.110705275820  -81.667571410219  -0.542396927705
  0.022091161135  -0.542396927705  -79.456022621365
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.050201986897  8.085340629868  8.076144486554  0.144534694407  0.014440694045  -0.102475879495  -0.004135162125  -0.001256824411  -0.002219184262
  1  Al  8.077006986617  1.991129235784  1.979240820758  0.132481352838  0.082465161584  0.004118504695  -0.001813068657  -0.002834355280  -0.003975787065
  2  Al  1.996531217015  8.052924579859  2.000168601396  0.057970472190  0.022310652977  0.105880924725  -0.002389484879  -0.004083345319  -0.002010785949
  3  Al  1.994372999707  2.010481243662  8.090637168480  0.020101591551  -0.020888318663  -0.170248797037  -0.002625726337  -0.001291271373  -0.001061725409
  4  Al  0.008620254262  8.063856076283  4.122261868687  0.107743062923  0.018318922113  -0.208047473515  0.000901337749  -0.003120195653  0.006003128201
  5  Al  0.006476417637  2.024120330981  6.102459292638  -0.013819264472  -0.038772042847  -0.077907654922  0.000539093764  -0.000125057394  0.002285776186
  6  Al  2.011594624325  8.093335104934  6.064534201290  -0.059324339123  0.175328190702  0.045150130178  -0.001254365087  -0.000328833779  -0.000853246577
  7  Al  2.021402362175  2.034705967208  4.078560764186  -0.025646725840  -0.071798480997  0.041497587960  -0.000346877165  0.000741595203  0.002545430836
  8  Al  8.080158154626  4.093616744507  8.037526030397  -0.003990326238  -0.122269109397  0.116680571152  -0.001731197576  0.003622077224  -0.005274021989
  9  Al  0.014525306253  6.069036110566  2.020758790215  -0.002719322110  -0.004791902602  0.084734146439  0.001269786978  -0.000524404175  -0.000247580650
  10  Al  2.052818754740  3.999300495675  2.018208207564  -0.070467105689  0.313276117334  0.138017681422  0.002332976024  -0.003962158562  -0.000405288522
  11  Al  2.035621349259  6.090437558311  0.052752327670  -0.100628098614  0.010605588949  0.099432171141  0.000780095912  0.001366000378  0.004743371295
  12  Al  8.074793094298  4.066939434738  4.010529286881  0.171923714211  0.007208051522  0.154930957418  -0.001954769198  0.001496819944  -0.003212716899
  13  Al  0.004087454754  6.058411927617  6.032590082156  -0.014632238420  0.018483869094  0.084247960751  0.000346477875  -0.001415632186  -0.003571475518
  14  Al  2.016602562278  4.031339327104  6.093275139494  -0.092572795591  -0.125177258628  -0.104632640031  -0.000865020402  -0.001803057146  0.001449656595
  15  Al  2.069143414038  6.081605548077  4.002678797044  -0.197902148205  -0.072317354661  -0.020315799510  0.003566305538  0.000475143831  -0.004165442030
  16  Al  4.103215787974  0.057086722239  8.098456506707  -0.020880370299  -0.021978794521  0.147491719676  0.004594803137  0.004948118011  0.000073187397
  17  Al  3.987510681045  1.975746577553  2.017274575255  0.208554914458  0.086788027893  -0.015768696580  -0.005140263199  -0.004163868375  -0.000697750320
  18  Al  6.116452121335  8.051824695305  1.968425766437  -0.198019450136  -0.013256036842  0.090985485561  0.003326051674  -0.004220763732  -0.004807005583
  19  Al  6.092309585011  2.079590810943  8.030942245272  -0.156204073313  -0.186371551886  0.029349864940  0.001278719596  0.004501288019  -0.005988776732
  20  Al  4.066106450248  0.059430240602  4.055452656560  -0.084776793029  -0.193889645839  -0.039800860752  0.001285811228  0.004901929985  0.000417913104
  21  Al  4.062499301360  2.008206283476  6.087317641541  0.030589151444  0.076912035807  0.111203982791  0.001130096958  -0.001359282527  0.001231731890
  22  Al  6.075676578034  0.005394714902  6.081815949559  0.021207000456  0.190317870294  0.065837781045  0.000091373493  0.000742228046  0.000687964775
  23  Al  6.118323520575  2.033707464612  4.035139959077  -0.128294223200  -0.010139082102  0.203078490323  0.003586448313  0.000742444076  -0.001000079462
  24  Al  4.061146661955  4.043778846598  0.060886280071  0.079005399224  -0.064854845864  -0.190651331671  0.001081757364  -0.000630618207  0.005043498105
  25  Al  4.029921837354  6.129577790442  2.076694646279  0.055846147549  -0.098095016530  -0.114571625258  -0.001681924608  0.004603925075  0.004345710471
  26  Al  6.046130678544  4.091543283324  1.987199681419  0.008298805481  0.036134889667  0.085315358924  -0.002515109797  0.003675560665  -0.003184898704
  27  Al  6.053034583381  6.099361942339  0.049785487201  0.025226745144  -0.093858379979  -0.108110892632  -0.001870720051  0.001988664117  0.004199277012
  28  Al  4.061601504323  4.073109321568  4.090826555241  -0.030864187842  -0.003579403534  -0.175605625815  0.000965341680  0.001998413516  0.003293774468
  29  Al  4.002983696898  6.090541290796  6.147072915097  0.242267925804  -0.040261487760  -0.156282819323  -0.003741993197  0.001294681915  0.006039569026
  30  Al  6.088203441110  3.999857800945  6.085464271532  -0.008497376309  0.064802518683  0.007227901352  0.001137285969  -0.004289294843  0.000946930733
  31  Al  6.120866621028  6.054598110825  4.044855284461  -0.096512139248  0.064906121987  -0.130761123951  0.003851921216  -0.001689927042  -0.000631147859


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)
  -81.334030472826  -0.118210945016  0.025483213368
  -0.118210945016  -81.520181849513  -0.585526277364
  0.025483213368  -0.585526277364  -79.126929175075
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.048140866484  8.084712863157  8.075030313788  0.150959438626  0.015558346348  -0.105570760549  -0.004108745162  -0.001254142518  -0.002237783482
  1  Al  8.076106374158  1.989715744307  1.977253111321  0.137394734019  0.086781886531  0.003474206910  -0.001788941929  -0.002819224715  -0.003975108282
  2  Al  1.995339065834  8.050883904478  1.999167941261  0.061142104677  0.027039877773  0.109171652176  -0.002378836301  -0.004078933417  -0.001991560403
  3  Al  1.993061035073  2.009834674275  8.090098695716  0.021418609867  -0.021405420780  -0.174693434980  -0.002622014460  -0.001295052403  -0.001092562996
  4  Al  0.009075739213  8.062296797306  4.125254133141  0.111958058321  0.020095544822  -0.218160306481  0.000920978871  -0.003116761427  0.005965025532
  5  Al  0.006745346803  2.024056069187  6.103598698287  -0.013946748091  -0.040418058458  -0.080713673020  0.000536611503  -0.000132136932  0.002271595554
  6  Al  2.010964790005  8.093178525151  6.064109596197  -0.058790239961  0.181269066928  0.048756188528  -0.001264924446  -0.000296954241  -0.000844851420
  7  Al  2.021227777193  2.035073555444  4.079835334531  -0.024945953060  -0.074032530819  0.041674180896  -0.000351400114  0.000728558015  0.002552866332
  8  Al  8.079292377472  4.095422317734  8.034894234982  -0.004542262151  -0.127428738025  0.122479768278  -0.001731960384  0.003599754416  -0.005252641227
  9  Al  0.015160078189  6.068773694283  2.020638787476  -0.004400656614  -0.005471813005  0.086236406952  0.001269150457  -0.000525321743  -0.000232296005
  10  Al  2.053982092897  3.997333419724  2.018011732643  -0.073141353908  0.323571235898  0.143459726668  0.002320137531  -0.003905224867  -0.000380124645
  11  Al  2.036006899175  6.091121032566  0.055128457900  -0.102546803663  0.009476123414  0.100491468970  0.000761932222  0.001367795669  0.004761244325
  12  Al  8.073823394627  4.067688166907  4.008929853790  0.178910030143  0.005160179257  0.160234371161  -0.001923404914  0.001497925655  -0.003184541345
  13  Al  0.004260039635  6.057704937746  6.030808110251  -0.016764726338  0.018533773307  0.089418306394  0.000343671009  -0.001412322836  -0.003555949879
  14  Al  2.016165914106  4.030432203152  6.093995290750  -0.093481113545  -0.129083895858  -0.108665070808  -0.000881653488  -0.001825787910  0.001430587933
  15  Al  2.070917720652  6.081839887433  4.000595167920  -0.204403345265  -0.075795431958  -0.017866862653  0.003530339717  0.000461902654  -0.004168855532
  16  Al  4.105512256197  0.059559798800  8.098499693232  -0.021386533974  -0.024715311363  0.153231974311  0.004591024506  0.004943943591  0.000100071879
  17  Al  3.984949871775  1.973668522759  2.016924995240  0.216685270633  0.091223394860  -0.016684222538  -0.005102247033  -0.004147954282  -0.000700651588
  18  Al  6.118106295773  8.049713720899  1.966026330664  -0.206939282187  -0.010989756728  0.095268598143  0.003289848654  -0.004222931289  -0.004790354602
  19  Al  6.092941962544  2.081833124211  8.027949168835  -0.162785864982  -0.195068341957  0.035108449229  0.001250202125  0.004467187567  -0.005983014205
  20  Al  4.066745566370  0.061872538797  4.055659834028  -0.088846558140  -0.201692224152  -0.041335882569  0.001270289425  0.004866565251  0.000410659538
  21  Al  4.063065717163  2.007530080153  6.087938478263  0.031694256487  0.081448690112  0.115644512862  0.001135665049  -0.001345125192  0.001252011982
  22  Al  6.075723212726  0.005774336065  6.082162874871  0.019817800487  0.196650318518  0.069310217003  0.000095041081  0.000776822723  0.000700046908
  23  Al  6.120111010026  2.034078233437  4.034648996881  -0.134951230775  -0.009658312549  0.209185142587  0.003562914359  0.000740674203  -0.000963223389
  24  Al  4.061691072150  4.043460638507  0.063399507078  0.082185879016  -0.067753549260  -0.200113760783  0.001096167748  -0.000642473302  0.005008563987
  25  Al  4.029083371353  6.131875368167  2.078862380204  0.060244972352  -0.101892425798  -0.121670124041  -0.001671546145  0.004586046341  0.004324590629
  26  Al  6.044873494599  4.093382678873  1.985611045632  0.009263405886  0.034927892636  0.089743360852  -0.002513539748  0.003681913626  -0.003169248581
  27  Al  6.052100350982  6.100352078962  0.051880293189  0.024216768124  -0.098473510346  -0.115625718178  -0.001866299836  0.001971469785  0.004179275120
  28  Al  4.062082795544  4.074108368328  4.092465592967  -0.031936269440  -0.003525507530  -0.181245037845  0.000959727364  0.001997778342  0.003261872275
  29  Al  4.001123529588  6.091186832079  6.150085713824  0.250940298151  -0.042310793517  -0.160200603384  -0.003697900737  0.001287300013  0.006011275636
  30  Al  6.088771704265  3.997716050173  6.085938059983  -0.010915448902  0.070417967587  0.005125084652  0.001135550476  -0.004277206229  0.000948035081
  31  Al  6.122788267578  6.053756048584  4.044533865557  -0.102107235794  0.067561324112  -0.135468158742  0.003834164787  -0.001678084548  -0.000654948565


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)
  -81.167718776074  -0.126419833280  0.029006651207
  -0.126419833280  -81.366022934758  -0.630599875354
  0.029006651207  -0.630599875354  -78.785743205754
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.046093241735  8.084086487350  8.073906703072  0.159124048775  0.016640479908  -0.108540198778  -0.004081023922  -0.001251263966  -0.002256924847
  1  Al  8.075218044688  1.988310011069  1.975265712476  0.143721999491  0.090065964274  0.004862442178  -0.001763810296  -0.002803414645  -0.003974362992
  2  Al  1.994152380714  8.048845646442  1.998177040993  0.061236720610  0.032021593764  0.113846310096  -0.002367895722  -0.004073653364  -0.001971622758
  3  Al  1.991750985247  2.009186191259  8.089544605484  0.019753128508  -0.022931677963  -0.178861815443  -0.002618333737  -0.001299016108  -0.001124170581
  4  Al  0.009541233134  8.060739314856  4.128226894220  0.117220529419  0.022093464226  -0.228660231781  0.000941467272  -0.003112989760  0.005925080098
  5  Al  0.007013029140  2.023988194049  6.104730888191  -0.012292781628  -0.043082531356  -0.085436218760  0.000534265708  -0.000139601824  0.002256741873
  6  Al  2.010329699880  8.093038150693  6.063689349871  -0.060998792428  0.186995724257  0.050979628956  -0.001275633499  -0.000264031633  -0.000835935109
  7  Al  2.021050962061  2.035434525224  4.081113630518  -0.027533843022  -0.077014849313  0.041709611157  -0.000356091770  0.000715054488  0.002560320783
  8  Al  8.078426194243  4.097216498923  8.032273389171  -0.003188701303  -0.132431942898  0.128438622421  -0.001732651526  0.003576523058  -0.005230209303
  9  Al  0.015794456710  6.068510788823  2.020526494210  -0.004589535755  -0.005155288009  0.089381336125  0.001268346740  -0.000526271799  -0.000216595905
  10  Al  2.055138892271  3.995395270808  2.017828082919  -0.079093153125  0.333684719487  0.150399790630  0.002306527875  -0.003846466657  -0.000353853815
  11  Al  2.036383281481  6.091805353979  0.057513571995  -0.107171952997  0.009187044498  0.101431371758  0.000743183516  0.001369464142  0.004779296081
  12  Al  8.072869689384  4.068437360393  4.007344745536  0.187702449329  0.002734291789  0.165300748340  -0.001890630022  0.001498631415  -0.003155438740
  13  Al  0.004431125763  6.056999604781  6.029034132277  -0.017415961320  0.019700916378  0.092964136992  0.000340615280  -0.001408904682  -0.003539645020
  14  Al  2.015720908790  4.029513539193  6.094705727427  -0.097340522083  -0.132873946605  -0.114367087707  -0.000898712805  -0.001849206753  0.001410649018
  15  Al  2.072673753754  6.082067450731  3.998509941511  -0.213857033258  -0.078395515839  -0.015112036353  0.003492947540  0.000448118094  -0.004171803822
  16  Al  4.107806812480  0.062030665830  8.098556578585  -0.023402442995  -0.027897858275  0.158859392751  0.004587020404  0.004939240012  0.000127972622
  17  Al  3.982408434012  1.971598623271  2.016573923667  0.222955163292  0.094518638554  -0.016013682737  -0.005062943495  -0.004131349078  -0.000703574757
  18  Al  6.119741969989  8.047601764017  1.963635411835  -0.212514214913  -0.008308637919  0.101659968738  0.003252349814  -0.004224656551  -0.004772749330
  19  Al  6.093559787137  2.084057998510  8.024959231067  -0.166101892035  -0.205112829735  0.041328039859  0.001220799796  0.004431411658  -0.005976180838
  20  Al  4.067376739673  0.064296805853  4.055863316098  -0.094163504151  -0.209742332872  -0.042754022769  0.001253928457  0.004829783297  0.000403141961
  21  Al  4.063634966410  2.006861158284  6.088569653522  0.031013229920  0.084713527171  0.118361311791  0.001141271054  -0.001330270409  0.001272931934
  22  Al  6.075771619115  0.006171537625  6.082515996467  0.021257416628  0.202525398698  0.070839029350  0.000098713176  0.000812508745  0.000712576150
  23  Al  6.121886434934  2.034448138816  4.034176735687  -0.138148474629  -0.010575120002  0.214771015914  0.003538499442  0.000738865349  -0.000925322014
  24  Al  4.062242829703  4.043136373297  0.065894844058  0.083366967098  -0.070243919644  -0.209470528852  0.001110968054  -0.000654810176  0.004971947446
  25  Al  4.028250291209  6.134163836783  2.081019236907  0.063041064974  -0.104545316602  -0.127325370660  -0.001660524462  0.004567590956  0.004302330611
  26  Al  6.043617138796  4.095225196950  1.984030432838  0.013581673047  0.033476999757  0.095977026215  -0.002511497414  0.003688028974  -0.003152645312
  27  Al  6.051168283545  6.101333412124  0.053964762320  0.025885847922  -0.101961533092  -0.123350066346  -0.001861820698  0.001953551036  0.004157910857
  28  Al  4.062561231687  4.075107099910  4.094088427516  -0.034767625219  -0.003189108708  -0.186780298747  0.000953764084  0.001997178060  0.003228971075
  29  Al  3.999285796161  6.091828590809  6.153084190732  0.257788756640  -0.043117889670  -0.165597035622  -0.003652420726  0.001279662750  0.005982149561
  30  Al  6.089338991586  3.995580594716  6.086412306613  -0.010312212752  0.076398507279  0.001124933323  0.001133652738  -0.004264080942  0.000948593828
  31  Al  6.124700785815  6.052920026277  4.044200335896  -0.104756352039  0.071823028461  -0.139966122040  0.003815671331  -0.001665623687  -0.000679572192


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)
  -80.992570294198  -0.133831413511  0.033911194433
  -0.133831413511  -81.206389847598  -0.676294916268
  0.033911194433  -0.676294916268  -78.435899894406
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.044059842562  8.083461599190  8.072773388941  0.163316283379  0.017352714585  -0.112397158978  -0.004052197988  -0.001248224999  -0.002276676488
  1  Al  8.074342563862  1.986912329662  1.973278748329  0.146265494810  0.095427453252  0.003897557972  -0.001737885622  -0.002786831667  -0.003973579854
  2  Al  1.992971170113  8.046810251114  1.997196318503  0.065150477939  0.037119312699  0.116710244119  -0.002356596797  -0.004067472217  -0.001951011168
  3  Al  1.990442701336  2.008535658168  8.088974525135  0.021967160830  -0.022371882397  -0.183589086971  -0.002614603973  -0.001303066213  -0.001156573431
  4  Al  0.010017206485  8.059183807546  4.131179213238  0.119118218945  0.023594992121  -0.237893233091  0.000962595786  -0.003108905245  0.005883370554
  5  Al  0.007279612510  2.023916467363  6.105855440160  -0.014546188236  -0.043816668657  -0.088129942639  0.000531866323  -0.000147370550  0.002241225183
  6  Al  2.009689156506  8.092914493518  6.063273661087  -0.058952118409  0.191611438785  0.055114526236  -0.001286357024  -0.000230184426  -0.000826450368
  7  Al  2.020871685424  2.035788609932  4.082395655314  -0.025860859927  -0.078151241685  0.042450549358  -0.000360865218  0.000701182751  0.002567844641
  8  Al  8.077559725946  4.098998840792  8.029664025679  -0.005635711030  -0.137123127806  0.133464365141  -0.001733440422  0.003552425029  -0.005206795365
  9  Al  0.016428424929  6.068247422484  2.020422191571  -0.008658599325  -0.006841254087  0.090460477996  0.001267162366  -0.000527344281  -0.000200518177
  10  Al  2.056288620773  3.993486953066  2.017657878828  -0.081081647888  0.343614566203  0.155358098989  0.002292208363  -0.003785916589  -0.000326519280
  11  Al  2.036750082691  6.092490496708  0.059907753981  -0.107496513988  0.006765484048  0.100196923922  0.000723992309  0.001370890287  0.004797321506
  12  Al  8.071932764605  4.069186798322  4.005774415050  0.192461202663  0.000727383933  0.171339769291  -0.001856643665  0.001498940886  -0.003125343320
  13  Al  0.004600654915  6.056296033064  6.027268465231  -0.021805540281  0.018755004691  0.098546011778  0.000337108906  -0.001405466750  -0.003522524150
  14  Al  2.015267201301  4.028582996399  6.095405939768  -0.096680996880  -0.135512511827  -0.117969210022  -0.000916058189  -0.001873200309  0.001389878321
  15  Al  2.074410668192  6.082288005527  3.996423364098  -0.219176554188  -0.082782642252  -0.010601446006  0.003454234649  0.000433708883  -0.004174102589
  16  Al  4.110099276601  0.064499038812  8.098627665854  -0.021783524950  -0.031771859293  0.163152233597  0.004582980811  0.004933905582  0.000156760230
  17  Al  3.979886928281  1.969537173681  2.016221420483  0.233084555816  0.099783819788  -0.017009359045  -0.005022173872  -0.004113978578  -0.000706526993
  18  Al  6.121358645587  8.045489064348  1.961253581334  -0.222222025521  -0.005806920283  0.105870393021  0.003213484707  -0.004225918472  -0.004754196265
  19  Al  6.094162762340  2.086264535869  8.021972987997  -0.173113352926  -0.213306988789  0.047195046231  0.001190474198  0.004394005228  -0.005968266938
  20  Al  4.067999494827  0.066702322095  4.056062975989  -0.095916648057  -0.217954525384  -0.042954683114  0.001236935428  0.004791547506  0.000395479664
  21  Al  4.064206988217  2.006199809743  6.089211410197  0.034006327528  0.090172416871  0.122738717628  0.001147083755  -0.001314635732  0.001294486103
  22  Al  6.075821925902  0.006586844810  6.082875451021  0.018514665805  0.207579340214  0.074422194117  0.000102268772  0.000849171814  0.000725562399
  23  Al  6.123649509468  2.034817098786  4.033723674867  -0.145701169431  -0.009180420902  0.221194889970  0.003513123488  0.000737099218  -0.000886346976
  24  Al  4.062802040204  4.042805828331  0.068371454524  0.087979647447  -0.072159853434  -0.220481280959  0.001126286318  -0.000667540971  0.004933510064
  25  Al  4.027422846891  6.136442959123  2.083164710814  0.070108707341  -0.108920791173  -0.135017365158  -0.001648620968  0.004548507239  0.004278877359
  26  Al  6.042361997185  4.097070707848  1.982458400321  0.014233767045  0.032002318386  0.100481302132  -0.002509010734  0.003693882778  -0.003135082078
  27  Al  6.050238530284  6.102305629998  0.056038204045  0.023454701400  -0.107343104194  -0.132788466852  -0.001857409689  0.001934839352  0.004135012256
  28  Al  4.063036559628  4.076105546388  4.095694564041  -0.033716628580  -0.002652657070  -0.190706522900  0.000947641641  0.001996655810  0.003195224025
  29  Al  3.997471108863  6.092466494830  6.156067863385  0.268155232598  -0.046063027080  -0.168670983631  -0.003605401712  0.001271690040  0.005952266241
  30  Al  6.089905357003  3.993451969231  6.086886653811  -0.013899130585  0.083520621682  -0.001419641777  0.001131488262  -0.004249784287  0.000948567481
  31  Al  6.126603938909  6.052090424897  4.043854293365  -0.111569233346  0.073732609059  -0.142964920354  0.003796331979  -0.001652611117  -0.000704866023


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)
  -80.813125056392  -0.142295208680  0.038086726678
  -0.142295208680  -81.040131589419  -0.723158650792
  0.038086726678  -0.723158650792  -78.074034293954
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.042041043747  8.082838262351  8.071630026584  0.171786036512  0.018130550212  -0.115255462796  -0.004022240082  -0.001245052821  -0.002297028469
  1  Al  8.073480159066  1.985523179402  1.971292132621  0.152793762669  0.097959366846  0.006494799055  -0.001711149940  -0.002769543024  -0.003972650785
  2  Al  1.991795783917  8.044778174225  1.996226029825  0.063787280319  0.042897803548  0.122413605949  -0.002345069854  -0.004060318744  -0.001929633668
  3  Al  1.989136381274  2.007883125046  8.088388032053  0.018591502630  -0.024597011149  -0.187192689793  -0.002610978057  -0.001307265199  -0.001189721055
  4  Al  0.010503828920  8.057630409611  4.134110264773  0.124338075907  0.025737924107  -0.248238085962  0.000984360604  -0.003104494918  0.005839910764
  5  Al  0.007544895462  2.023840823499  6.106972113374  -0.012406307560  -0.047253003204  -0.094205591158  0.000529456789  -0.000155512113  0.002224924518
  6  Al  2.009043342856  8.092807966267  6.062862899503  -0.061814967654  0.196181924121  0.056272645913  -0.001297153515  -0.000195515978  -0.000816492435
  7  Al  2.020690096844  2.036135707975  4.083681475159  -0.029761146044  -0.081908330655  0.042160055870  -0.000365837785  0.000686873541  0.002575408768
  8  Al  8.076692753821  4.100768923952  8.027066593806  -0.003636972028  -0.141830617528  0.139243827870  -0.001734269393  0.003527486765  -0.005182415448
  9  Al  0.017061619076  6.067983444542  2.020325976033  -0.008902554395  -0.005761890178  0.094391087392  0.001265592412  -0.000528470993  -0.000183992580
  10  Al  2.057431100634  3.991609354220  2.017501563639  -0.088681441415  0.353052235216  0.163329968721  0.002277031665  -0.003723635078  -0.000298028796
  11  Al  2.037107273790  6.093176244266  0.062310893501  -0.112922619244  0.006968187102  0.099689243401  0.000704286997  0.001372118067  0.004815191185
  12  Al  8.071013045719  4.069936301279  4.004219402216  0.201328985825  -0.001919407584  0.176382241994  -0.001821439105  0.001498834320  -0.003094257222
  13  Al  0.004768234669  6.055594138031  6.025511608127  -0.022262157598  0.020729080763  0.101100116911  0.000333169286  -0.001401936901  -0.003504675930
  14  Al  2.014804850601  4.027640338884  6.096095605748  -0.101360625857  -0.138172044292  -0.124689834805  -0.000933762968  -0.001897667512  0.001368184777
  15  Al  2.076127988403  6.082501159614  3.994335838922  -0.229653910379  -0.084637524129  -0.006353128892  0.003414109528  0.000418741640  -0.004175618316
  16  Al  4.112389793291  0.066964571412  8.098713338815  -0.023907295086  -0.036170720083  0.168010931620  0.004578896084  0.004927831564  0.000186365979
  17  Al  3.977386260140  1.967484644692  2.015867396674  0.238753735199  0.102068058956  -0.014789282151  -0.004979991868  -0.004095933166  -0.000709369769
  18  Al  6.122955454696  8.043375845545  1.958881215570  -0.226160216360  -0.002544518502  0.113545633608  0.003173399657  -0.004226665085  -0.004734580630
  19  Al  6.094750261334  2.088452003737  8.018990964130  -0.174737287510  -0.224398869712  0.054216861276  0.001159376601  0.004354874639  -0.005959200786
  20  Al  4.068613675101  0.069088353359  4.056258795762  -0.101503236572  -0.226063016417  -0.043722484062  0.001219286233  0.004751852657  0.000387730788
  21  Al  4.064782050165  2.005546522552  6.089864139626  0.032904725004  0.092697326488  0.123827618802  0.001153065555  -0.001298287308  0.001316528956
  22  Al  6.075873887886  0.007020709439  6.083241558866  0.020847233902  0.212240834868  0.074703306990  0.000105787697  0.000886703435  0.000738894111
  23  Al  6.125399558422  2.035185238033  4.033290388711  -0.147335497933  -0.010868957677  0.226278411806  0.003486926221  0.000735306818  -0.000846343185
  24  Al  4.063369116021  4.042468832326  0.070828354122  0.088539803302  -0.073877947895  -0.230585413813  0.001142067029  -0.000680596645  0.004893185026
  25  Al  4.026601670240  6.138712344022  2.085298114266  0.072956894125  -0.110574643928  -0.139939769219  -0.001635831007  0.004528884505  0.004254296389
  26  Al  6.041108128062  4.098919079729  1.980895350760  0.020402237264  0.030166363014  0.108335376097  -0.002505914300  0.003699440614  -0.003116414018
  27  Al  6.049310873856  6.103268251476  0.058099774577  0.026027705500  -0.109724975574  -0.141597217693  -0.001852985997  0.001915433622  0.004110482373
  28  Al  4.063508873327  4.077103755720  4.097283651541  -0.036812410832  -0.002022425361  -0.195399714231  0.000941336395  0.001996237861  0.003160706405
  29  Al  3.995680394449  6.093100280849  6.159036456973  0.274019158380  -0.045889624314  -0.174540582767  -0.003556931711  0.001263469540  0.005921583374
  30  Al  6.090470479848  3.991330810429  6.087360874095  -0.012360111143  0.090617904855  -0.007317274801  0.001129140704  -0.004234216428  0.000947786407
  31  Al  6.128497117794  6.051267415160  4.043495469873  -0.112858378930  0.078767968086  -0.146569201133  0.003776268312  -0.001638977676  -0.000730750165


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)
  -80.624303990888  -0.149665599433  0.043775380447
  -0.149665599433  -80.868160390974  -0.770223534994
  0.043775380447  -0.770223534994  -77.704904673148
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.040037602481  8.082216546370  8.070476360472  0.177579831006  0.019235129018  -0.117334460502  -0.003991007024  -0.001241712356  -0.002317821840
  1  Al  8.072631413922  1.984142786638  1.969306097544  0.156771620754  0.102480114678  0.006070894694  -0.001683475017  -0.002751623879  -0.003971527421
  2  Al  1.990626100258  8.042749932369  1.995266684836  0.066113606722  0.049504625080  0.125421473452  -0.002333456808  -0.004052058034  -0.001907477390
  3  Al  1.987831723279  2.007228392969  8.087784804080  0.019296025533  -0.024870174845  -0.189752433537  -0.002607590940  -0.001311687529  -0.001223419678
  4  Al  0.011001567089  8.056079312628  4.137019124002  0.127464894081  0.028260356091  -0.259142290995  0.001006871608  -0.003099667510  0.005794551323
  5  Al  0.007809069300  2.023760955250  6.108080364677  -0.012852066122  -0.048731335094  -0.097203616022  0.000527198709  -0.000164093044  0.002207812672
  6  Al  2.008392002992  8.092718977540  6.062457168652  -0.060438071810  0.200651876990  0.060313521747  -0.001308082848  -0.000160039322  -0.000806069716
  7  Al  2.020505847639  2.036475483473  4.084971064083  -0.029417280338  -0.083681209873  0.040949484151  -0.000371128294  0.000672069955  0.002582838701
  8  Al  8.075825456553  4.102526327556  8.024481610231  -0.004559118925  -0.146818387671  0.145698537440  -0.001735002118  0.003501681751  -0.005156941806
  9  Al  0.017694017341  6.067718951491  2.020238198991  -0.011680724185  -0.006599742832  0.095131730487  0.001263752282  -0.000529576114  -0.000167049376
  10  Al  2.058565652438  3.989763317988  2.017359850032  -0.092139340293  0.361500664399  0.168485534967  0.002260866418  -0.003659754563  -0.000268364729
  11  Al  2.037454369688  6.093862614775  0.064722945167  -0.114332860664  0.005096163549  0.098787938880  0.000683970521  0.001373196611  0.004832934903
  12  Al  8.070111325500  4.070685632642  4.002680157827  0.207627969498  -0.005073717979  0.180719272229  -0.001784878648  0.001498209139  -0.003062332604
  13  Al  0.004933824201  6.054894096163  6.023763789301  -0.025256716826  0.020464345452  0.106890774984  0.000328921132  -0.001398254239  -0.003486081694
  14  Al  2.014333438334  4.026685328887  6.096774124545  -0.101652537844  -0.140677423787  -0.128579364934  -0.000951912198  -0.001922596453  0.001345542692
  15  Al  2.077824777720  6.082706747167  3.992247745782  -0.235847677911  -0.088347437215  -0.002198901230  0.003372494021  0.000403276909  -0.004176382861
  16  Al  4.114678172685  0.069426870376  8.098814031832  -0.023892651649  -0.040221547650  0.173140063017  0.004574622803  0.004921002150  0.000216864632
  17  Al  3.974906936412  1.965441240515  2.015512050714  0.246798518538  0.106703117674  -0.015411043511  -0.004936583846  -0.004077269173  -0.000712069656
  18  Al  6.124532045244  8.041262399263  1.956519000704  -0.233876136967  0.001341302616  0.118282875333  0.003132272738  -0.004226772651  -0.004713855328
  19  Al  6.095322138941  2.090619410508  8.016013787211  -0.180062586286  -0.233356357912  0.062501698893  0.001127657747  0.004313951651  -0.005948766231
  20  Al  4.069218781059  0.071454174752  4.056450706777  -0.104882272224  -0.233775572046  -0.044821952819  0.001200835517  0.004710743419  0.000379814979
  21  Al  4.065360053772  2.004901522435  6.090527939154  0.034115002190  0.097423615482  0.127561064886  0.001159057071  -0.001281290633  0.001339002924
  22  Al  6.075927713599  0.007473548246  6.083614345133  0.019043655023  0.216873118398  0.077952296330  0.000109353914  0.000925065914  0.000752541412
  23  Al  6.127136435689  2.035552405604  4.032877331683  -0.153181970397  -0.010301242476  0.230537555474  0.003460060175  0.000733414217  -0.000805504166
  24  Al  4.063944107233  4.042125231686  0.073264639549  0.091600449327  -0.076008668717  -0.240411718417  0.001158171438  -0.000693996401  0.004851078221
  25  Al  4.025787015884  6.140971843628  2.087419007203  0.078666993302  -0.114160514714  -0.147728337664  -0.001622275940  0.004508793344  0.004228579067
  26  Al  6.039856082885  4.100770148461  1.979341986303  0.022770460081  0.027485607034  0.113120221009  -0.002502054692  0.003704594658  -0.003096616047
  27  Al  6.048385544287  6.104221063620  0.060148686418  0.024790840778  -0.114413579940  -0.150603934839  -0.001848442856  0.001895395796  0.004084359801
  28  Al  4.063977896023  4.078101784249  4.098855270446  -0.037485466248  -0.001807284614  -0.200166619682  0.000934694219  0.001995895488  0.003125343059
  29  Al  3.993914177151  6.093729964369  6.161989446759  0.282413918819  -0.047884123896  -0.177541855562  -0.003507186994  0.001255086234  0.005890107457
  30  Al  6.091034497708  3.989217752803  6.087834440219  -0.014937769918  0.098098953047  -0.010444306804  0.001126700294  -0.004217345276  0.000946198535
  31  Al  6.130380207221  6.050451447222  4.043123543200  -0.118558537046  0.081609331757  -0.150224101453  0.003755579806  -0.001624640060  -0.000757283273


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)
  -80.430183685800  -0.157642994014  0.049085317920
  -0.157642994014  -80.689773125145  -0.817961850255
  0.049085317920  -0.817961850255  -77.325665608949
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.038050036723  8.081596549995  8.069312204743  0.184999843106  0.020279298866  -0.119527462346  -0.003958592663  -0.001238179794  -0.002338997126
  1  Al  8.071796684049  1.982771555523  1.967320605200  0.162051606637  0.105896800957  0.007172659086  -0.001654972450  -0.002732995133  -0.003970343457
  2  Al  1.989462327109  8.040726116191  1.994318552436  0.066048223577  0.056503529412  0.129610508651  -0.002321641636  -0.004042580981  -0.001884677714
  3  Al  1.986528790334  2.006571437516  8.087164612375  0.017505645209  -0.026323465579  -0.192195664968  -0.002604300897  -0.001316264204  -0.001257565563
  4  Al  0.011510700528  8.054530742100  4.139904816096  0.131656242301  0.030954398224  -0.269988951356  0.001030036851  -0.003094373754  0.005747247371
  5  Al  0.008072094171  2.023676730454  6.109179926047  -0.011684663511  -0.051313268218  -0.101746997470  0.000525005143  -0.000173036960  0.002190026631
  6  Al  2.007735260007  8.092647926946  6.062056829787  -0.061220874902  0.204701156175  0.063113278661  -0.001318959071  -0.000123801052  -0.000795035449
  7  Al  2.020318968550  2.036807777930  4.086264313860  -0.031556093071  -0.086470465568  0.039718280423  -0.000376579270  0.000656858518  0.002590050341
  8  Al  8.074957751702  4.104270605703  8.021909652000  -0.003809228697  -0.151671243722  0.152032138174  -0.001735750242  0.003474996993  -0.005130324898
  9  Al  0.018325371358  6.067453868428  2.020158926657  -0.013141262575  -0.006330902104  0.097130533626  0.001261533214  -0.000530732104  -0.000149861268
  10  Al  2.059691967052  3.987949599657  2.017233198910  -0.098229482236  0.369644874639  0.174933640914  0.002243847582  -0.003594390678  -0.000237663302
  11  Al  2.037791244311  6.094549440878  0.067143828403  -0.117938713554  0.004261777117  0.097317608451  0.000663205609  0.001374033205  0.004850466597
  12  Al  8.069228167071  4.071434510418  4.001157069612  0.215447601631  -0.008493383018  0.185108287035  -0.001747055996  0.001496996250  -0.003029627884
  13  Al  0.005097155801  6.054195883792  6.022025526433  -0.026846720373  0.021491212954  0.111409081163  0.000324263123  -0.001394503442  -0.003466565844
  14  Al  2.013852938403  4.025717742430  6.097441148440  -0.104243260600  -0.142884752564  -0.133865375170  -0.000970319135  -0.001947946708  0.001322080321
  15  Al  2.079500482425  6.082904436523  3.990159456061  -0.244411418136  -0.090993342092  0.002696076773  0.003329559204  0.000387243973  -0.004176338414
  16  Al  4.116964416094  0.071885573562  8.098930203447  -0.025239030992  -0.044748625143  0.177874802357  0.004570230466  0.004913405878  0.000248245108
  17  Al  3.972449676294  1.963407375520  2.015155327018  0.253168958193  0.110027447589  -0.014478278400  -0.004891887114  -0.004057893616  -0.000714741740
  18  Al  6.126087727434  8.039149072893  1.954167360242  -0.238901229185  0.005734612811  0.124639310952  0.003090006782  -0.004226140070  -0.004692138260
  19  Al  6.095877919082  2.092765955388  8.013042197899  -0.182694556878  -0.243709520803  0.071105242607  0.001095227520  0.004271302305  -0.005936821866
  20  Al  4.069814510618  0.073799096778  4.056638610741  -0.109556148393  -0.241509459411  -0.045547078084  0.001181664876  0.004668253279  0.000371736053
  21  Al  4.065941107235  2.004265231919  6.091203142549  0.033741916935  0.100833635825  0.129651955252  0.001165123430  -0.001263566577  0.001361997583
  22  Al  6.075983241800  0.007945775353  6.083994100278  0.019512295705  0.220952038323  0.079634637220  0.000112800788  0.000964207168  0.000766629571
  23  Al  6.128859618598  2.035918652250  4.032484884546  -0.156385518979  -0.011033190927  0.234508774468  0.003432385065  0.000731506934  -0.000763929359
  24  Al  4.064527287459  4.041774835925  0.075679432343  0.092985941106  -0.077719359353  -0.250508553200  0.001174673329  -0.000707739576  0.004807190302
  25  Al  4.024979394300  6.143221137366  2.089526693333  0.082920473437  -0.116502041407  -0.154301290046  -0.001607830137  0.004488172277  0.004201577836
  26  Al  6.038606073370  4.102623674387  1.977798734713  0.027819386805  0.024510391415  0.119483863727  -0.002497531996  0.003709243063  -0.003075821409
  27  Al  6.047462431000  6.105163647272  0.062184134377  0.025744424379  -0.117895440959  -0.160189837666  -0.001843925040  0.001874627537  0.004056575061
  28  Al  4.064443567546  4.079099651208  4.100408994600  -0.039693187309  -0.001506624373  -0.204584495620  0.000927794502  0.001995599227  0.003089158601
  29  Al  3.992173207455  6.094355367083  6.164926564430  0.288957624605  -0.048595580067  -0.181669596797  -0.003456106790  0.001246461018  0.005857994212
  30  Al  6.091597180141  3.987113465153  6.088307072629  -0.015197078144  0.106051070831  -0.015201877860  0.001124006260  -0.004199094411  0.000943905784
  31  Al  6.132252697600  6.049642775099  4.042738186600  -0.121811716093  0.085858420172  -0.153335220558  0.003734090879  -0.001609668564  -0.000784421258


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)
  -80.227042093339  -0.164439072156  0.056558286974
  -0.164439072156  -80.505327854175  -0.865929569853
  0.056558286974  -0.865929569853  -76.939648151453
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.036079009818  8.080978366575  8.068137363346  0.189253494206  0.021214789424  -0.121739188036  -0.003925134684  -0.001234470253  -0.002360566191
  1  Al  8.070976441472  1.981409791505  1.965335754087  0.164151300926  0.111692341266  0.006567490346  -0.001625810145  -0.002713542820  -0.003969115097
  2  Al  1.988304458622  8.038707351388  1.993382007122  0.069375831081  0.063762868542  0.132525729798  -0.002309534823  -0.004031829252  -0.001861242923
  3  Al  1.985227422382  2.005912128765  8.086527238517  0.019301456231  -0.025504532477  -0.194397009795  -0.002601010368  -0.001320897590  -0.001292126670
  4  Al  0.012031603940  8.052984938874  4.142766371373  0.133177635444  0.033471158276  -0.280659117993  0.001053712809  -0.003088614156  0.005698019830
  5  Al  0.008334074442  2.023587918290  6.110270391308  -0.013700596197  -0.051582471957  -0.104731534564  0.000522735719  -0.000182235765  0.002171567598
  6  Al  2.007073043921  8.092595176487  6.061662133204  -0.057934801435  0.207906947825  0.067406584509  -0.001329611502  -0.000086914185  -0.000783367067
  7  Al  2.020129268369  2.037132341990  4.087561114424  -0.029810120380  -0.087107428315  0.038414402938  -0.000382065365  0.000641340779  0.002597035347
  8  Al  8.074089706310  4.106001324550  8.019351285333  -0.006245168118  -0.156476497137  0.158327361168  -0.001736649098  0.003447448807  -0.005102578982
  9  Al  0.018955550555  6.067188219387  2.020088337723  -0.017667828066  -0.008386320141  0.097580117891  0.001258778903  -0.000532047813  -0.000132454276
  10  Al  2.060809500020  3.986168927310  2.017122186730  -0.100869857125  0.377395078814  0.179858637134  0.002226048244  -0.003527605844  -0.000205945127
  11  Al  2.038117575298  6.095236647980  0.069573411764  -0.117630842447  0.001084406887  0.094458744404  0.000642145861  0.001374511150  0.004867611265
  12  Al  8.068364269504  4.072182628892  3.999650529944  0.219946311661  -0.011840389137  0.189564284144  -0.001708132094  0.001495178426  -0.002996132425
  13  Al  0.005258087324  6.053499592721  6.020297223457  -0.031460416954  0.020013826123  0.117559689945  0.000319050507  -0.001390792921  -0.003446096201
  14  Al  2.013363119199  4.024737382179  6.098096204867  -0.102519044684  -0.144128978151  -0.137628727054  -0.000988803536  -0.001973605529  0.001297808944
  15  Al  2.081154336924  6.083093991140  3.988071407368  -0.249006110384  -0.095703173079  0.008507074847  0.003285448032  0.000370553439  -0.004175336860
  16  Al  4.119248403152  0.074340276254  8.099062276941  -0.023898862996  -0.049634839285  0.182078272086  0.004565837574  0.004904968064  0.000280424654
  17  Al  3.970015049299  1.961383346899  2.014797308974  0.262761205013  0.115634710377  -0.014804192124  -0.004845763328  -0.004037719581  -0.000717359572
  18  Al  6.127622052026  8.037036259194  1.951826862444  -0.247611195315  0.010291789784  0.129481190223  0.003046512921  -0.004224707321  -0.004669420070
  19  Al  6.096417366461  2.094890712813  8.010076965344  -0.188537955578  -0.251825289159  0.080376242672  0.001062039600  0.004227001849  -0.005923279531
  20  Al  4.070400445936  0.076122428031  4.056822442830  -0.111447584202  -0.249354637364  -0.045831365509  0.001161907302  0.004624370382  0.000363566886
  21  Al  4.066525177202  2.003637955858  6.091889936736  0.036096816685  0.106717919083  0.132840957682  0.001171366963  -0.001245011618  0.001385464260
  22  Al  6.076040514387  0.008437755413  6.084380974704  0.016085993039  0.224344139372  0.082781292539  0.000115983249  0.001004016326  0.000781149438
  23  Al  6.130568820753  2.036283912538  4.032113402324  -0.163480068890  -0.009152536902  0.238342993552  0.003403789311  0.000729702344  -0.000721656751
  24  Al  4.065118780562  4.041417492110  0.078071829852  0.097061729814  -0.079092652791  -0.261422256194  0.001191663454  -0.000721758457  0.004761424056
  25  Al  4.024179185747  6.145460015906  2.091620585039  0.090708109552  -0.120785008602  -0.162265338408  -0.001592307867  0.004466958986  0.004173277007
  26  Al  6.037358550889  4.104479391524  1.976266164894  0.029718152242  0.021062953963  0.124556314061  -0.002492388181  0.003713317287  -0.003054004393
  27  Al  6.046541619247  6.106095691157  0.064205261479  0.023053606264  -0.123708038218  -0.170731584245  -0.001839562531  0.001853028360  0.004026990924
  28  Al  4.064905690526  4.080097383476  4.101944429047  -0.038782562444  -0.001102775883  -0.208073930918  0.000920778827  0.001995365948  0.003052267234
  29  Al  3.990458070362  6.094976425387  6.167847440970  0.298310241636  -0.051816826882  -0.184291406010  -0.003403605465  0.001237484221  0.005825277561
  30  Al  6.092158503967  3.985018658392  6.088778346003  -0.019259292973  0.115029576932  -0.018971935987  0.001120925885  -0.004179329960  0.000940850670
  31  Al  6.134114298100  6.048841778658  4.042339121942  -0.129139575607  0.087579888813  -0.155679793102  0.003711656014  -0.001594163304  -0.000812046978


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)
  -80.019262566081  -0.172254915097  0.063140716390
  -0.172254915097  -80.314769229558  -0.914305741899
  0.063140716390  -0.914305741899  -76.543601709109
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.034124902039  8.080362079742  8.066951638553  0.197727756990  0.021957968761  -0.123396894042  -0.003890538838  -0.001230610639  -0.002382481180
  1  Al  8.070170873904  1.980058012703  1.963351490103  0.170467314618  0.114109713372  0.008878519021  -0.001595895482  -0.002693356279  -0.003967734235
  2  Al  1.987152792286  8.036694286940  1.992457309512  0.067206533094  0.071848332199  0.137447755232  -0.002297324458  -0.004019705708  -0.001837107488
  3  Al  1.983927779966  2.005250539927  8.085872485705  0.015421694682  -0.027706230644  -0.195709594032  -0.002597906144  -0.001325654594  -0.001327001919
  4  Al  0.012564413337  8.051442127945  4.145602835926  0.138072997685  0.036667307633  -0.291748403194  0.001077962421  -0.003082343827  0.005646847009
  5  Al  0.008594829890  2.023494494690  6.111351493645  -0.011110533143  -0.055081316269  -0.110509776750  0.000520517622  -0.000191771431  0.002152325180
  6  Al  2.006405648505  8.092561012761  6.061273462720  -0.059889380216  0.210836113512  0.069413270861  -0.001340144899  -0.000049478856  -0.000771135470
  7  Al  2.019936903185  2.037449118709  4.088861349208  -0.033942398270  -0.090682576317  0.036364839631  -0.000387764794  0.000625446480  0.002603720558
  8  Al  8.073221102604  4.107718054510  8.016807073018  -0.003865580993  -0.161069849613  0.164841334449  -0.001737552992  0.003419060392  -0.005073687933
  9  Al  0.019584150261  6.066921820615  2.020026472381  -0.018259544409  -0.007165765968  0.099996430679  0.001255567022  -0.000533438159  -0.000114791075
  10  Al  2.061918015296  3.984421993813  2.017027253783  -0.109016508669  0.384533033238  0.187013641735  0.002207284554  -0.003459490019  -0.000173147010
  11  Al  2.038433390172  6.095923952027  0.072011439669  -0.122482291914  0.000787068380  0.091799879137  0.000620679919  0.001374678458  0.004884262652
  12  Al  8.067520034978  4.072929688844  3.998160937186  0.228812603114  -0.015763574311  0.193540005158  -0.001668013370  0.001492710651  -0.002961883178
  13  Al  0.005416206308  6.052805090871  6.018579430233  -0.031892639673  0.022016925978  0.121430533329  0.000313386789  -0.001387035402  -0.003424730647
  14  Al  2.012864134867  4.023744136902  6.098738957384  -0.106532715802  -0.145276197326  -0.143675616329  -0.001007492613  -0.001999478143  0.001272660538
  15  Al  2.082785930457  6.083274989962  3.985984119201  -0.259140461241  -0.097566578554  0.014586103327  0.003240020094  0.000353275262  -0.004173272347
  16  Al  4.121530253668  0.076790541627  8.099210628101  -0.026196127872  -0.055342638023  0.186221560739  0.004561359118  0.004895583153  0.000313350394
  17  Al  3.967603912966  1.959369655938  2.014437967446  0.267464061209  0.117987498879  -0.012657060021  -0.004798361571  -0.004016833924  -0.000719814588
  18  Al  6.129134240355  8.034924365573  1.949497940172  -0.250157890124  0.015657690926  0.136906817852  0.003002012723  -0.004222387456  -0.004645605173
  19  Al  6.096939958682  2.096992957238  8.007118918368  -0.188925894239  -0.263384032486  0.090280187531  0.001028294604  0.004180942507  -0.005908022969
  20  Al  4.070976417919  0.078423467159  4.057002177627  -0.117159738160  -0.256978879085  -0.046124647334  0.001141469971  0.004579104530  0.000355346084
  21  Al  4.067112474198  2.003020220301  6.092588606809  0.034355589288  0.109156187967  0.133569959848  0.001177665357  -0.001225712628  0.001409281204
  22  Al  6.076099225049  0.008949791679  6.084775249717  0.017952466871  0.227154394378  0.083481856380  0.000119026263  0.001044379970  0.000796013244
  23  Al  6.132263407909  2.036648354595  4.031763227795  -0.164365470238  -0.010872832224  0.241207357181  0.003374480156  0.000727912091  -0.000678785295
  24  Al  4.065718950913  4.041053077468  0.080440856399  0.096788053720  -0.080027516955  -0.271704652309  0.001208993485  -0.000735983686  0.004713762894
  25  Al  4.023387086434  6.147688096352  2.093699970340  0.094025961547  -0.122176559410  -0.168494345116  -0.001575792774  0.004445238397  0.004143707329
  26  Al  6.036113685189  4.106336991675  1.974744730320  0.037052840492  0.017386048891  0.132244648346  -0.002486418903  0.003716754601  -0.003031046571
  27  Al  6.045622868470  6.107016675632  0.066211125301  0.025356749406  -0.125884549019  -0.181233164256  -0.001835234680  0.001830714962  0.003995525529
  28  Al  4.065364346373  4.081095017156  4.103461261835  -0.042225246653  -0.000651749366  -0.212099930438  0.000913536787  0.001995209095  0.003014703994
  29  Al  3.988769601990  6.095592851304  6.170751841992  0.303048840080  -0.051337548048  -0.188536516621  -0.003349844396  0.001228262294  0.005791947014
  30  Al  6.092718106026  3.982934135192  6.089247923299  -0.018067108891  0.124054983157  -0.025295303890  0.001117588932  -0.004157955973  0.000936893211
  31  Al  6.135964353614  6.048048611796  4.041926139623  -0.130523932289  0.092815126350  -0.158038796104  0.003688442283  -0.001578036119  -0.000840093194


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)
  -79.801513366927  -0.178533471417  0.071844003390
  -0.178533471417  -80.118431382062  -0.962660735843
  0.071844003390  -0.962660735843  -76.142866324439
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.032188470980  8.079747755936  8.065754882166  0.202049442695  0.022931648163  -0.125100825064  -0.003854799044  -0.001226597540  -0.002404696697
  1  Al  8.069380545990  1.978716435227  1.961368019852  0.172537113404  0.119634159416  0.008326283613  -0.001565231133  -0.002672459745  -0.003966196138
  2  Al  1.986007134165  8.034687645680  1.991544899634  0.070220194387  0.080480058551  0.140133031979  -0.002285038607  -0.004006087659  -0.001812291965
  3  Al  1.982629516238  2.004586474171  8.085200236597  0.016997821183  -0.027083792506  -0.196895147479  -0.002595007862  -0.001330552782  -0.001362100501
  4  Al  0.013109566361  8.049902595046  4.148413218382  0.139481572543  0.039934879237  -0.302574817227  0.001102775599  -0.003075495647  0.005593714941
  5  Al  0.008854592064  2.023396146859  6.112422716488  -0.012808734389  -0.055446128164  -0.113492244801  0.000518379256  -0.000201652505  0.002132299560
  6  Al  2.005732899021  8.092545697631  6.060890997733  -0.055875177737  0.213248666411  0.073866980526  -0.001350494168  -0.000011565982  -0.000758326319
  7  Al  2.019741503575  2.037757788471  4.090164834982  -0.032146890619  -0.091417032534  0.034308247847  -0.000393673129  0.000609166906  0.002610038681
  8  Al  8.072352153318  4.109420384942  8.014277597400  -0.006176166208  -0.165934758401  0.171184586397  -0.001738450717  0.003389826415  -0.005043647458
  9  Al  0.020211117577  6.066654781228  2.019973546648  -0.022944732699  -0.008952925748  0.099726609425  0.001251883389  -0.000534879158  -0.000096935979
  10  Al  2.063016784574  3.982709437292  2.016949039721  -0.111700282378  0.390892228130  0.191781903724  0.002187552632  -0.003390167559  -0.000139282960
  11  Al  2.038738255217  6.096611326438  0.074457674416  -0.121849828677  -0.002363970320  0.087631387062  0.000598836803  0.001374537484  0.004900303678
  12  Al  8.066696256134  4.073675339544  3.996688646766  0.233319369391  -0.019903485445  0.197653277249  -0.001626699104  0.001489522042  -0.002926910780
  13  Al  0.005571474113  6.052112557319  6.016872492810  -0.036426119215  0.020615812326  0.128154709144  0.000307279141  -0.001383224066  -0.003402417906
  14  Al  2.012355626586  4.022737904036  6.099368865405  -0.104420081008  -0.145863788023  -0.147341473881  -0.001026351641  -0.002025505848  0.001246643820
  15  Al  2.084394357018  6.083447266402  3.983898135021  -0.263284332687  -0.102158725920  0.021654278126  0.003193315693  0.000335419964  -0.004170032483
  16  Al  4.123809762269  0.079235859407  8.099375627335  -0.025009289753  -0.060815762619  0.189703647002  0.004556781390  0.004885198676  0.000346957837
  17  Al  3.965216687728  1.957366512975  2.014077494386  0.276438444233  0.123467827089  -0.012789966152  -0.004749737078  -0.003995247992  -0.000722089534
  18  Al  6.130624064749  8.032813871738  1.947181257271  -0.258201450014  0.021438266974  0.141733933371  0.002956565764  -0.004219071104  -0.004620694891
  19  Al  6.097445661065  2.099071655320  8.004168942376  -0.194324310489  -0.271758348019  0.100728888369  0.000994032311  0.004133101163  -0.005890946895
  20  Al  4.071541915907  0.080701532561  4.057177788914  -0.119240462102  -0.264398020261  -0.045808783915  0.001120335964  0.004532493810  0.000347127302
  21  Al  4.067702842559  2.002412243230  6.093299217941  0.036394853603  0.114807897225  0.136333576000  0.001183990396  -0.001205690400  0.001433410386
  22  Al  6.076159540650  0.009482135383  6.085176987948  0.013960177647  0.229617996313  0.086691582403  0.000121879231  0.001085215093  0.000811226627
  23  Al  6.133943300909  2.037011824628  4.031434617030  -0.171183137163  -0.009162235921  0.244126033992  0.003344482352  0.000726120970  -0.000635396839
  24  Al  4.066327774047  4.040681508424  0.082785592746  0.100599964882  -0.081151705937  -0.282903346090  0.001226639832  -0.000750392992  0.004664181338
  25  Al  4.022603392973  6.149905254302  2.095764292368  0.101974747315  -0.126237300551  -0.176842044918  -0.001558270451  0.004423030376  0.004112834505
  26  Al  6.034872131986  4.108196146125  1.973235118323  0.039396826316  0.012944738022  0.137352448454  -0.002479584358  0.003719466151  -0.003006944785
  27  Al  6.044706384567  6.107926406119  0.068200787008  0.022449866804  -0.131481115692  -0.192923672318  -0.001830960803  0.001807706657  0.003962076177
  28  Al  4.065819227313  4.082092592571  4.104959133041  -0.041540570891  -0.000397312157  -0.215025133602  0.000906048183  0.001995115310  0.002976519320
  29  Al  3.987108225966  6.096204687681  6.173639387984  0.311914038713  -0.054095755568  -0.190621702544  -0.003294867157  0.001218836633  0.005758050542
  30  Al  6.093276092899  3.980860702419  6.089715239214  -0.022503437187  0.133941053946  -0.029350818379  0.001113961954  -0.004134891313  0.000932007887
  31  Al  6.137802740383  6.047263742539  4.041499028748  -0.138099429899  0.094666931984  -0.159421428314  0.003664427548  -0.001561275358  -0.000868473909


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)
  -79.578385947153  -0.185531033635  0.080663773428
  -0.185531033635  -79.916077396168  -1.011277842693
  0.080663773428  -1.011277842693  -75.733144429991
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.030270102995  8.079135482202  8.064546941855  0.209395836206  0.023633927742  -0.127235669394  -0.003818016132  -0.001222434611  -0.002427255398
  1  Al  8.068605642771  1.977385552958  1.959385293965  0.177522474336  0.122705521031  0.011098847355  -0.001533936057  -0.002650794752  -0.003964459545
  2  Al  1.984867753678  8.032688199280  1.990645017547  0.069726792773  0.089570380375  0.145519850378  -0.002272527447  -0.003990885273  -0.001786754803
  3  Al  1.981332772103  2.003919987144  8.084510385205  0.015171522586  -0.028767162912  -0.198153359768  -0.002592131946  -0.001335545818  -0.001397417553
  4  Al  0.013667188937  8.048366632298  4.151196550867  0.143481634610  0.043567734078  -0.313072614913  0.001128072307  -0.003068030573  0.005538676504
  5  Al  0.009113209147  2.023292842185  6.113483793205  -0.011274287649  -0.058257521488  -0.119809826215  0.000516226252  -0.000211817529  0.002111442523
  6  Al  2.005055154337  8.092549446778  6.060515136402  -0.055033872129  0.215043377384  0.075508668570  -0.001360409357  0.000026723018  -0.000744972243
  7  Al  2.019543230056  2.038058285615  4.091471387888  -0.034176960730  -0.094434390511  0.032452702209  -0.000399602434  0.000592551923  0.002616007062
  8  Al  8.071482651887  4.111107880925  8.011763425560  -0.004998242708  -0.170419894011  0.176966115716  -0.001739449701  0.003359756551  -0.005012523035
  9  Al  0.020836033651  6.066386941456  2.019929536403  -0.024559483946  -0.008323019482  0.102085740979  0.001247636547  -0.000536423615  -0.000078894100
  10  Al  2.064105567928  3.981031826254  2.016887970823  -0.118111900386  0.396936222308  0.199193629604  0.002167007588  -0.003319736262  -0.000104330029
  11  Al  2.039032226975  6.097298489512  0.076911743347  -0.124261564010  -0.003513866124  0.082475139983  0.000576834622  0.001374012010  0.004915511079
  12  Al  8.065893335874  4.074419210886  3.995234026407  0.241036178758  -0.024442305700  0.202211059797  -0.001584292059  0.001485557560  -0.002891163196
  13  Al  0.005723485449  6.051421866805  6.015177012327  -0.037812772674  0.021913741936  0.132203523187  0.000300642237  -0.001379421955  -0.003379142067
  14  Al  2.011837783226  4.021718631053  6.099985601204  -0.105624556394  -0.145878651240  -0.153747389460  -0.001045129480  -0.002051587413  0.001219726692
  15  Al  2.085979246150  6.083610409926  3.981814086718  -0.271008301349  -0.104386545779  0.029999428811  0.003145550316  0.000316954965  -0.004165414679
  16  Al  4.126087035058  0.081675740302  8.099557585938  -0.026651615423  -0.067128332665  0.192355185318  0.004552162943  0.004873760566  0.000381113622
  17  Al  3.962854175888  1.955374407947  2.013715877912  0.281982787659  0.126424899411  -0.010042154961  -0.004699814622  -0.003972907762  -0.000724130709
  18  Al  6.132090806119  8.030705294469  1.944877245281  -0.262275928549  0.027982282430  0.149611842180  0.002910035461  -0.004214652942  -0.004594648788
  19  Al  6.097933990993  2.101126058401  8.001227971473  -0.196103563866  -0.282716334096  0.111104965639  0.000959128340  0.004083531526  -0.005872009101
  20  Al  4.072096753883  0.082955960969  4.057349304928  -0.124222483531  -0.271892893084  -0.044645790446  0.001098570552  0.004484549788  0.000339040728
  21  Al  4.068296464594  2.001814529901  6.094022017196  0.035267645365  0.117938445037  0.136083717545  0.001190396972  -0.001184883044  0.001457764296
  22  Al  6.076221104280  0.010035006771  6.085586476344  0.013412737694  0.231352294735  0.086912626615  0.000124326350  0.001126425505  0.000826746718
  23  Al  6.135607890261  2.037374475565  4.031127830956  -0.173910642804  -0.010141508606  0.247005405732  0.003313631216  0.000724395229  -0.000591490041
  24  Al  4.066945590745  4.040302684476  0.085105037737  0.101023726884  -0.081595650675  -0.294594488433  0.001244664845  -0.000764942489  0.004612553447
  25  Al  4.021828815982  6.152111126728  2.097812804845  0.106668702354  -0.127967725601  -0.182891612352  -0.001539617877  0.004400304630  0.004080674575
  26  Al  6.033634100831  4.110056457826  1.971737785535  0.045361000867  0.008103521828  0.145339447019  -0.002472007069  0.003721347850  -0.002981672333
  27  Al  6.043791907667  6.108824382289  0.070173201478  0.022582045948  -0.134481050043  -0.205592190363  -0.001826934982  0.001783929831  0.003926449146
  28  Al  4.066270394556  4.083090132466  4.106437781155  -0.044116449710  -0.000025685755  -0.217258288369  0.000898390507  0.001995077494  0.002937873494
  29  Al  3.985474734833  6.096811687936  6.176509892533  0.317032412768  -0.054307199007  -0.194934235588  -0.003238639797  0.001209145486  0.005723582118
  30  Al  6.093832067980  3.978799243880  6.090179931186  -0.023669836339  0.144160786106  -0.036388779323  0.001109834097  -0.004110029208  0.000926130814
  31  Al  6.139628781162  6.046487336437  4.041057665713  -0.141853036613  0.099346602378  -0.159761497052  0.003639399999  -0.001543930688  -0.000897008633


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)
  -79.346832896067  -0.191266896179  0.090573562743
  -0.191266896179  -79.707723138098  -1.058887598573
  0.090573562743  -1.058887598573  -75.318499475489
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.028370454847  8.078525321325  8.063327626767  0.214428866595  0.024466803434  -0.128444502677  -0.003780126509  -0.001218134440  -0.002450113022
  1  Al  8.067846609933  1.976065640475  1.957403560307  0.180226688339  0.127439814914  0.011771103244  -0.001501953540  -0.002628431939  -0.003962414988
  2  Al  1.983734606717  8.030696760408  1.989758144831  0.071096466477  0.099319749673  0.149092286875  -0.002259937949  -0.003973998631  -0.001760416690
  3  Al  1.980037384292  2.003250928354  8.083802819044  0.015335252625  -0.028756199171  -0.198178032074  -0.002589404662  -0.001340688365  -0.001432849294
  4  Al  0.014237638667  8.046834564473  4.153951894885  0.145417933902  0.047351785876  -0.324164351824  0.001153899720  -0.003059902434  0.005481707977
  5  Al  0.009370818316  2.023184329330  6.114534159011  -0.011999147316  -0.059381736986  -0.124036482784  0.000514145623  -0.000222334394  0.002089642839
  6  Al  2.004372489665  8.092572420649  6.060146025490  -0.051779778661  0.216391275794  0.079060898604  -0.001369958420  0.000065292966  -0.000731153835
  7  Al  2.019341901142  2.038350340393  4.092780842043  -0.033739111908  -0.095818222434  0.029540781851  -0.000405674082  0.000575543476  0.002621549234
  8  Al  8.070612703617  4.112780141493  8.009265074364  -0.006143613448  -0.175127218848  0.183605591874  -0.001740445775  0.003328864888  -0.004980288184
  9  Al  0.021458754124  6.066118357613  2.019894652549  -0.028541031697  -0.009337095876  0.102350057103  0.001242889399  -0.000538002417  -0.000060617686
  10  Al  2.065183792163  3.979389701030  2.016844709691  -0.122417844354  0.402152320118  0.204660953863  0.002145504402  -0.003248298321  -0.000068225720
  11  Al  2.039315089839  6.097985338448  0.079373185496  -0.124465409596  -0.006247219305  0.077109214249  0.000554598610  0.001373139376  0.004929777806
  12  Al  8.065111964074  4.075160897104  3.993797483571  0.246278996106  -0.029157463897  0.205885316657  -0.001540726433  0.001480765779  -0.002854679673
  13  Al  0.005872116350  6.050733135364  6.013493350744  -0.041457387112  0.021401826103  0.138315854765  0.000293555542  -0.001375549574  -0.003354957829
  14  Al  2.011310497106  4.020686316624  6.100588592097  -0.104329467054  -0.145488990964  -0.158282496755  -0.001063899219  -0.002077635470  0.001191831445
  15  Al  2.087539907335  6.083764221367  3.979732720343  -0.276350502637  -0.108250234093  0.038222375492  0.003096616833  0.000297945390  -0.004159315698
  16  Al  4.128361925212  0.084109619973  8.099756740957  -0.026202672501  -0.073445256258  0.195253768983  0.004547437807  0.004861193388  0.000415765583
  17  Al  3.960516873106  1.953393605213  2.013353363677  0.289641626648  0.131124568734  -0.008932535973  -0.004648711811  -0.003949883025  -0.000725827033
  18  Al  6.133534100209  8.028599218796  1.942586608483  -0.268257676900  0.034958730207  0.155505949115  0.002862606138  -0.004209026061  -0.004567371477
  19  Al  6.098404789405  2.103155186845  7.998296933275  -0.199653107910  -0.292159113797  0.122943751419  0.000923747979  0.004032138074  -0.005851085314
  20  Al  4.072640486459  0.085186082349  4.057516829642  -0.127179696052  -0.278990904323  -0.043899236778  0.001076095378  0.004435301173  0.000331124866
  21  Al  4.068893239531  2.001227360185  6.094756982237  0.036120738820  0.122741835849  0.137346488567  0.001196779042  -0.001163366401  0.001482208760
  22  Al  6.076283867000  0.010608560888  6.086003734666  0.010503342084  0.232753221457  0.089132244757  0.000126464430  0.001167916204  0.000842485003
  23  Al  6.137256932126  2.037736219858  4.030843126988  -0.178962507519  -0.009242978547  0.248848315533  0.003282084611  0.000722662270  -0.000547161076
  24  Al  4.067572438892  4.039916565935  0.087398146193  0.103463401512  -0.082042169202  -0.305969810012  0.001262945847  -0.000779571592  0.004558863431
  25  Al  4.021063775096  6.154305558932  2.099844966943  0.113946151629  -0.131214318575  -0.190787232698  -0.001519895068  0.004377133942  0.004047267955
  26  Al  6.032400124917  4.111917493976  1.970253445990  0.049597140822  0.002751752618  0.151648232334  -0.002463517879  0.003722318304  -0.002955121848
  27  Al  6.042879449585  6.109710335950  0.072127236154  0.020640657295  -0.139133167681  -0.218249578466  -0.001823070903  0.001759468917  0.003888557996
  28  Al  4.066717617820  4.084087670065  4.107897006534  -0.044423784671  0.000113518213  -0.219763257284  0.000890475074  0.001995085346  0.002898804082
  29  Al  3.983869586169  6.097413833167  6.179362970102  0.324347809976  -0.056216506031  -0.197295351303  -0.003181300867  0.001199264747  0.005688517075
  30  Al  6.094385926996  3.976750673211  6.090641370028  -0.027103128040  0.155060479808  -0.041922589610  0.001105295030  -0.004083279043  0.000919129834
  31  Al  6.141442140382  6.045719811851  4.040602020115  -0.148039205454  0.101981113189  -0.160367727049  0.003613483841  -0.001525932135  -0.000925627955


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)
  -79.109310064871  -0.197475118294  0.100690835614
  -0.197475118294  -79.493113191537  -1.106577277646
  0.100690835614  -1.106577277646  -74.897480392620
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.026489976486  8.077917347762  8.062096828833  0.223299095208  0.025267315457  -0.128901636035  -0.003740993944  -0.001213688246  -0.002473119581
  1  Al  8.067103689231  1.974757121020  1.955422878977  0.186353762845  0.129816267089  0.014108018617  -0.001469181511  -0.002605433430  -0.003960101413
  2  Al  1.982607815729  8.028714200649  1.988884600857  0.067948779466  0.109948401353  0.153648516645  -0.002247507404  -0.003955290209  -0.001733351880
  3  Al  1.978743367441  2.002579298780  8.083077535910  0.010874214210  -0.031375096574  -0.197049838321  -0.002587061555  -0.001346064059  -0.001468182381
  4  Al  0.014821088657  8.045306729864  4.156678258844  0.150185027305  0.051745840483  -0.336254779812  0.001180326412  -0.003051043177  0.005422666982
  5  Al  0.009627354770  2.023070507791  6.115573436044  -0.009054439392  -0.062786467528  -0.129686057641  0.000512263448  -0.000233256144  0.002066960226
  6  Al  2.003685195917  8.092614739744  6.059783982566  -0.052583477858  0.217290661850  0.081727626634  -0.001379288420  0.000104063819  -0.000716779457
  7  Al  2.019137555975  2.038633829092  4.094092937123  -0.038093090165  -0.099270542845  0.025511771158  -0.000412095829  0.000558102681  0.002626470893
  8  Al  8.069742206113  4.114436745813  8.006783137376  -0.003651962400  -0.179562527369  0.191033479388  -0.001741321492  0.003297155880  -0.004946795721
  9  Al  0.022078923050  6.065848939040  2.019868918716  -0.029346944837  -0.008079318759  0.103451407585  0.001237714255  -0.000539559432  -0.000042219184
  10  Al  2.066251072330  3.977783527933  2.016819745102  -0.131516766146  0.406656016055  0.211311714102  0.002122802831  -0.003175991438  -0.000031038063
  11  Al  2.039586825585  6.098671628888  0.081841521153  -0.128965035573  -0.006792629970  0.071706216595  0.000531942110  0.001371973623  0.004943081798
  12  Al  8.064352609440  4.075899976665  3.992379346733  0.255195359136  -0.034471893782  0.208666873451  -0.001495894987  0.001475077360  -0.002817619006
  13  Al  0.006017040991  6.050046317231  6.011822054498  -0.041660759074  0.023308102542  0.143539559768  0.000286124840  -0.001371552539  -0.003329760158
  14  Al  2.010773884007  4.019640995583  6.101177432649  -0.107330371931  -0.144655893012  -0.164187509918  -0.001082821456  -0.002103574214  0.001163002858
  15  Al  2.089075862983  6.083908355315  3.977654771020  -0.285825291491  -0.109989431630  0.046611213053  0.003046358722  0.000278434921  -0.004151731637
  16  Al  4.130634472865  0.086536933691  8.099973351522  -0.029289797520  -0.080409329338  0.198565829930  0.004542476820  0.004847438899  0.000450972772
  17  Al  3.958205464077  1.951424524922  2.012990050880  0.293312545677  0.133431497752  -0.006358457161  -0.004596596127  -0.003926231903  -0.000727194037
  18  Al  6.134953412257  8.026496268408  1.940309873804  -0.269238217213  0.042709043553  0.163144774691  0.002814554392  -0.004202082618  -0.004538884332
  19  Al  6.098857738972  2.105158196475  7.995376886160  -0.198263506668  -0.303909424359  0.136034291900  0.000888174520  0.003978849976  -0.005827932863
  20  Al  4.073172849261  0.087391262143  4.057680429794  -0.133280780715  -0.286461808340  -0.043561946330  0.001052810398  0.004384750108  0.000323305899
  21  Al  4.069493243636  2.000651163501  6.095504225955  0.033310766381  0.125129405677  0.137022715714  0.001202986168  -0.001141206890  0.001506737169
  22  Al  6.076347568710  0.011202922975  6.086428961347  0.011860811512  0.233297158656  0.089810042858  0.000128463769  0.001209580773  0.000858482315
  23  Al  6.138889974871  2.038097137835  4.030580669881  -0.179003315402  -0.010785699231  0.249266134341  0.003250082724  0.000720871721  -0.000502630002
  24  Al  4.068208536592  4.039523112884  0.089663901168  0.102325738610  -0.081980343584  -0.316661309767  0.001281343248  -0.000794235087  0.004503200657
  25  Al  4.020308920914  6.156488260670  2.101860072800  0.117758539327  -0.132014947319  -0.197617364408  -0.001499180835  0.004353601435  0.004012544863
  26  Al  6.031170582952  4.113778776130  1.968782663687  0.058512261722  -0.003156513615  0.159231713220  -0.002453852976  0.003722282119  -0.002927329405
  27  Al  6.041968836764  6.110583851205  0.074061759474  0.023055274706  -0.141490392964  -0.230774513937  -0.001819164519  0.001734381372  0.003848415566
  28  Al  4.067160869630  4.085085217812  4.109336585237  -0.048372967404  0.000401820873  -0.222607485933  0.000882179111  0.001995131417  0.002859256456
  29  Al  3.982293433966  6.098010952683  6.182198409609  0.327637701787  -0.055661277595  -0.200832982845  -0.003123013831  0.001189262953  0.005652924689
  30  Al  6.094937363011  3.974715964837  6.091099061020  -0.026232744503  0.166368743073  -0.048858107677  0.001100526841  -0.004054543501  0.000911014105
  31  Al  6.143242265003  6.044961404302  4.040132037758  -0.149920409602  0.107483263402  -0.161039909866  0.003586846466  -0.001507206171  -0.000954361567


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)
  -78.861472778645  -0.202191523900  0.113339671440
  -0.202191523900  -79.273105728918  -1.153388552649
  0.113339671440  -1.153388552649  -74.473704858270
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.024629460903  8.077311633079  8.060854507186  0.226865729246  0.025959718846  -0.129191577644  -0.003700749533  -0.001209108586  -0.002496192929
  1  Al  8.066377428422  1.973460207045  1.953443458893  0.187300930355  0.135720779646  0.013615657717  -0.001435777051  -0.002581694609  -0.003957622937
  2  Al  1.981487099313  8.026741470199  1.988024792950  0.070360402723  0.120765631810  0.156070661161  -0.002235142663  -0.003934664540  -0.001705663209
  3  Al  1.977450322737  2.001904864294  8.082334636663  0.012221954876  -0.030282693465  -0.195677666983  -0.002584996774  -0.001351576221  -0.001503291938
  4  Al  0.015417965079  8.043783521296  4.159374561868  0.150553424484  0.055853635725  -0.347849072489  0.001207212213  -0.003041423862  0.005361508590
  5  Al  0.009883081764  2.022951073186  6.116601119237  -0.011136986075  -0.062527575206  -0.132760432300  0.000510458349  -0.000244459129  0.002043497699
  6  Al  2.002993201244  8.092676484468  6.059429246034  -0.047006254234  0.217305082209  0.086498551547  -0.001388191671  0.000142916366  -0.000701740157
  7  Al  2.018929805313  2.038908443075  4.095407312936  -0.035987168847  -0.099384849377  0.021442955129  -0.000418718551  0.000540343032  0.002630668612
  8  Al  8.068871382125  4.116077297373  8.004318278644  -0.006354637957  -0.184301167147  0.198113239649  -0.001742216075  0.003264626728  -0.004912006284
  9  Al  0.022696468379  6.065578798181  2.019852433365  -0.035061574181  -0.010145762986  0.102168061490  0.001231956180  -0.000541188741  -0.000023836951
  10  Al  2.067306594993  3.976213709591  2.016813671629  -0.134434982368  0.410589242985  0.215672722268  0.002099026936  -0.003102930300  0.000007134038
  11  Al  2.039847031949  6.099357312071  0.084316267294  -0.127248026035  -0.010802709105  0.064815067928  0.000509036847  0.001370400612  0.004955286703
  12  Al  8.063616069087  4.076635974464  3.990979864565  0.258719991167  -0.039586081096  0.211584804207  -0.001449951325  0.001468456631  -0.002780048808
  13  Al  0.006158241190  6.049361582825  6.010163590586  -0.046724663143  0.021370494843  0.151166436404  0.000278223247  -0.001367558304  -0.003303413654
  14  Al  2.010227675650  4.018582742410  6.101751594955  -0.103896342928  -0.142950966847  -0.167555333665  -0.001101704973  -0.002129286060  0.001133345287
  15  Al  2.090586266056  6.084042656288  3.975580988706  -0.289078815668  -0.115024207969  0.055858446267  0.002994962708  0.000258318863  -0.004142570923
  16  Al  4.132904402032  0.088957058872  0.000211465985  -0.027738267849  -0.087586534826  0.201037418202  0.004537378552  0.004832420190  0.000486697015
  17  Al  3.955920276978  1.949467373310  2.012626169641  0.302088457548  0.139317565649  -0.005876369266  -0.004543367706  -0.003901848333  -0.000728287821
  18  Al  6.136348654601  8.024397136178  1.938047724151  -0.276081201136  0.050701501022  0.168120315548  0.002765803229  -0.004193731782  -0.004509269471
  19  Al  6.099292963925  2.107134036821  7.992469000412  -0.202447264841  -0.312092929537  0.149776807496  0.000852351265  0.003923779809  -0.005802381556
  20  Al  4.073693296857  0.089570832457  4.057840135541  -0.134781616724  -0.293455466172  -0.042445716715  0.001028845813  0.004332905921  0.000315616876
  21  Al  4.070096225699  2.000086153295  6.096263719406  0.035253186888  0.131112378450  0.138564742940  0.001209115737  -0.001118299059  0.001531374490
  22  Al  6.076412330769  0.011818141661  6.086862216981  0.006802693095  0.233213785608  0.092835974635  0.000130132273  0.001251286515  0.000874810737
  23  Al  6.140507014850  2.038457091579  4.030340496986  -0.185470321416  -0.008598488924  0.249673798453  0.003217499043  0.000719138788  -0.000458025131
  24  Al  4.068853782140  4.039122330849  0.091901346850  0.105859237116  -0.081730894554  -0.328287208615  0.001299954835  -0.000808870754  0.004445542724
  25  Al  4.019564594261  6.158659160367  2.103857511806  0.127034856523  -0.136239229257  -0.206631774758  -0.001477296482  0.004329619704  0.003976405281
  26  Al  6.029946271941  4.115639776094  1.967326116585  0.061919653405  -0.009501946677  0.164632423093  -0.002443086450  0.003721150462  -0.002898376184
  27  Al  6.041060285067  6.111444717322  0.075975651720  0.019459935948  -0.147428551081  -0.244493021488  -0.001815363689  0.001708552227  0.003805926990
  28  Al  4.067599796932  4.086082801482  4.110756262990  -0.047330447333  0.000674308755  -0.224563196244  0.000873623295  0.001995227622  0.002819279719
  29  Al  3.980746572338  6.098603096121  6.185015894791  0.336012787127  -0.058701669791  -0.201836144766  -0.003063683955  0.001179038988  0.005616926359
  30  Al  6.095486453837  3.972696129709  6.091552384133  -0.031518400642  0.178894183834  -0.053732583200  0.001095363931  -0.004023677244  0.000901842571
  31  Al  6.145028986848  6.044212605680  4.039647658548  -0.158156269126  0.108863414636  -0.160747986004  0.003559304632  -0.001487864933  -0.000983129173


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)
  -78.608256615241  -0.207453132436  0.125883457879
  -0.207453132436  -79.047192738782  -1.199986187343
  0.125883457879  -1.199986187343  -74.042999017769
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.022789226953  8.076708239177  8.059600635905  0.234069649644  0.026628022125  -0.130069379325  -0.003659542242  -0.001204407280  -0.002519370672
  1  Al  8.065667912181  1.972175426411  1.951465256040  0.191846985885  0.138777376071  0.016391646617  -0.001401881500  -0.002557154672  -0.003954940305
  2  Al  1.980372673066  8.024779536109  1.987178937649  0.069233208694  0.132445274811  0.161091739903  -0.002222663095  -0.003912027667  -0.001677309118
  3  Al  1.976158370667  2.001227722558  8.081574243973  0.010161995476  -0.031960008932  -0.194441976010  -0.002582995665  -0.001357140674  -0.001538168353
  4  Al  0.016028300870  8.042265306002  4.162039767434  0.154147306917  0.060748920595  -0.358948086783  0.001234452239  -0.003030999677  0.005298321433
  5  Al  0.010137813119  2.022826048662  6.117616933743  -0.009401482575  -0.065129137977  -0.139103888024  0.000508622225  -0.000255871547  0.002019193224
  6  Al  2.002297004246  8.092757656110  6.059082242409  -0.044602612627  0.216910192609  0.088557731034  -0.001396381438  0.000181734899  -0.000686090252
  7  Al  2.018718837424  2.039174172123  4.096723605734  -0.037822260879  -0.102208441015  0.017651874272  -0.000425317060  0.000522320737  0.002634163661
  8  Al  8.067999990037  4.117701372541  8.001871131092  -0.004980515505  -0.188738695861  0.204589068270  -0.001743229430  0.003231277232  -0.004876004988
  9  Al  0.023310879230  6.065307750299  2.019845081765  -0.037052372328  -0.009523551163  0.103214628149  0.001225509245  -0.000542947163  -0.000005475886
  10  Al  2.068350099266  3.974680597633  2.016826879141  -0.141273999492  0.413886242671  0.222496508583  0.002074378751  -0.003029222785  0.000046306052
  11  Al  2.040095862431  6.100042029500  0.086796807856  -0.128722405439  -0.012400108407  0.056801385961  0.000486153274  0.001368326297  0.004966159126
  12  Al  8.062902658116  4.077368433296  3.989599297925  0.266144074395  -0.045450029650  0.215072886332  -0.001403028855  0.001460854464  -0.002741905918
  13  Al  0.006295264238  6.048678758927  6.008518640844  -0.048043316376  0.022558497966  0.156420816813  0.000269751057  -0.001363631084  -0.003275915575
  14  Al  2.009672179034  4.017511709523  6.102310777936  -0.103789430749  -0.140924828081  -0.173620693684  -0.001120271931  -0.002154664352  0.001102844396
  15  Al  2.092070825692  6.084166674179  3.973512200097  -0.295903339171  -0.117292739962  0.066646034668  0.002942665725  0.000237549895  -0.004131619110
  16  Al  4.135171851418  0.091369353880  0.000463800793  -0.029635677425  -0.095356313329  0.202468046406  0.004532249363  0.004816065231  0.000522770113
  17  Al  3.953662096370  1.947522676589  2.012261763058  0.306767205703  0.142242776237  -0.002623520765  -0.004488936448  -0.003876677041  -0.000729047705
  18  Al  6.137719215485  8.022302536626  1.935800604333  -0.278895483115  0.059786040198  0.175960249984  0.002716188712  -0.004183854276  -0.004478508916
  19  Al  6.099710090237  2.109081976284  7.989574504603  -0.202948437968  -0.323291373573  0.163252750316  0.000816109181  0.003866976909  -0.005774396939
  20  Al  4.074201695074  0.091724168064  4.057996046670  -0.139845129697  -0.300387807385  -0.040370438090  0.001004294379  0.004279816760  0.000308213171
  21  Al  4.070702359372  1.999532864442  6.097035600445  0.033313276679  0.134164787256  0.137199354216  0.001215245529  -0.001094583471  0.001556027602
  22  Al  6.076477700983  0.012454209491  6.087303772084  0.005243227282  0.232521869050  0.093102671117  0.000131209170  0.001292922948  0.000891433519
  23  Al  6.142107473914  2.038816276623  4.030122644749  -0.187673942198  -0.009440490901  0.250153816371  0.003184140214  0.000717526116  -0.000413340902
  24  Al  4.069508491427  4.038714242130  0.094109443892  0.105430623356  -0.081007958602  -0.340526917733  0.001318843996  -0.000823419490  0.004385751222
  25  Al  4.018831624432  6.160817880374  2.105836478081  0.132374606120  -0.137644295053  -0.213400306618  -0.001454105463  0.004305134714  0.003938854715
  26  Al  6.028727496502  4.117499926592  1.965884287503  0.069021222392  -0.016494301536  0.172704015343  -0.002431380430  0.003718826416  -0.002868218549
  27  Al  6.040153473074  6.112292403432  0.077867686464  0.019042592975  -0.150376729308  -0.259406406881  -0.001811921591  0.001681928649  0.003760878744
  28  Al  4.068034492925  4.087080445435  4.112155864955  -0.050157152176  0.000790111959  -0.225630185204  0.000864907974  0.001995358541  0.002779032754
  29  Al  3.979229750011  6.099189991671  6.187815335967  0.340044871999  -0.058762406940  -0.205043856164  -0.003003244887  0.001168537784  0.005580551579
  30  Al  6.096032726941  3.970692287593  6.092000903591  -0.033495806250  0.191459448187  -0.061417667496  0.001089551707  -0.003990567896  0.000891548221
  31  Al  6.146801569635  6.043473539369  4.039148908585  -0.162597483549  0.113469657937  -0.159171901576  0.003530629478  -0.001467988517  -0.001011729781


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)
  -78.346847354103  -0.211471369944  0.140048190036
  -0.211471369944  -78.815580715759  -1.245128245765
  0.140048190036  -1.245128245765  -73.609595005405
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.020969918662  8.076107225800  8.058335136514  0.239036424243  0.027267229888  -0.129781129915  -0.003617246899  -0.001199589083  -0.002542601120
  1  Al  8.064975546922  1.970903052374  1.949488518588  0.194152941126  0.143421741197  0.017670565303  -0.001367373384  -0.002531926274  -0.003951895168
  2  Al  1.979264436218  8.022829442532  1.986347483832  0.069251728348  0.144563736607  0.164780536887  -0.002210282641  -0.003887263261  -0.001648176371
  3  Al  1.974867327072  2.000547723620  8.080796468310  0.009411601131  -0.032031588225  -0.191726129765  -0.002581245800  -0.001362861477  -0.001572691504
  4  Al  0.016652417319  8.040752521619  4.164672883300  0.155541135187  0.065691099580  -0.370988875237  0.001262138163  -0.003019696030  0.005233065594
  5  Al  0.010391703988  2.022695201639  6.118620312461  -0.009920386811  -0.066038266395  -0.143858901602  0.000506894863  -0.000267597819  0.001993896554
  6  Al  2.001596819807  8.092858219367  6.058743155782  -0.040479573572  0.215973665673  0.092084457878  -0.001403987724  0.000220434404  -0.000669940970
  7  Al  2.018504488252  2.039430763811  4.098041476597  -0.037954870197  -0.103415772304  0.012546029396  -0.000432091481  0.000503938080  0.002636863332
  8  Al  8.067128152695  4.119308574606  7.999442273656  -0.005872636121  -0.193275600236  0.212046043022  -0.001744199694  0.003197125429  -0.004838758109
  9  Al  0.023921977625  6.065035851018  2.019846957479  -0.041411684356  -0.010432478536  0.102721905574  0.001218494615  -0.000544731218  0.000012934691
  10  Al  2.069380973745  3.973184486806  2.016859977681  -0.146616267798  0.416476115095  0.227851007170  0.002048641568  -0.002954988988  0.000086566796
  11  Al  2.040333185223  6.100725638368  0.089282426420  -0.128704714703  -0.015572274636  0.048811074120  0.000463139475  0.001365825586  0.004975600804
  12  Al  8.062213040233  4.078096828928  3.988237958647  0.271014600076  -0.051364729859  0.217430245645  -0.001355007256  0.001452199294  -0.002703240449
  13  Al  0.006427992247  6.047997951742  6.006887675011  -0.051488316430  0.021913482263  0.163226666131  0.000260853001  -0.001359655321  -0.003247339320
  14  Al  2.009107403718  4.016428078058  6.102854439351  -0.102011164098  -0.138321048250  -0.178263062370  -0.001138670356  -0.002179628732  0.001071386241
  15  Al  2.093528931781  6.084280206183  3.971449369596  -0.300977800800  -0.121152754354  0.076989534483  0.002889304980  0.000216233040  -0.004118778194
  16  Al  4.137436651395  0.093773124103  0.000734236098  -0.029558660705  -0.103201025267  0.204432885674  0.004526957432  0.004798314347  0.000559146764
  17  Al  3.951431340530  1.945590696269  2.011897121935  0.313449063139  0.146960843969  -0.000602440165  -0.004433489560  -0.003850822445  -0.000729336104
  18  Al  6.139064843314  8.020213281902  1.933569215235  -0.282812972530  0.069114363807  0.182441155449  0.002665972381  -0.004172330672  -0.004446468088
  19  Al  6.100109073106  2.111001013731  7.986694603473  -0.204534826318  -0.332887647081  0.178400285849  0.000779680470  0.003808314977  -0.005743853404
  20  Al  4.074697591236  0.093850649217  4.058148348712  -0.142891908196  -0.307046421986  -0.038845348978  0.000979017892  0.004225512577  0.000301131337
  21  Al  4.071311471228  1.998991569824  6.097819747008  0.033408544313  0.138775698699  0.136861133652  0.001221210412  -0.001070182788  0.001580528412
  22  Al  6.076543539938  0.013111064609  6.087753650499  0.002038277952  0.231467148169  0.094752879069  0.000131860131  0.001334403232  0.000908227670
  23  Al  6.143691155064  2.039174617695  4.029927156084  -0.191417633022  -0.008440681149  0.249393735352  0.003150249700  0.000715927553  -0.000368681711
  24  Al  4.070172626136  4.038298911359  0.096287098073  0.107017542455  -0.080206445755  -0.352017578191  0.001337836710  -0.000837831942  0.004323838243
  25  Al  4.018110488798  6.162964295081  2.107796366521  0.140238773680  -0.140573946687  -0.221574806427  -0.001429734023  0.004280262204  0.003899968253
  26  Al  6.027514891511  4.119358602510  1.964457898036  0.075061243015  -0.023964645863  0.179567013805  -0.002418499561  0.003715209415  -0.002836725773
  27  Al  6.039248363476  6.113126645971  0.079736530463  0.017332284640  -0.154959051183  -0.273951301081  -0.001808669703  0.001654631850  0.003713196949
  28  Al  4.068464704905  4.088078160023  4.113535295744  -0.050731017873  0.000801203298  -0.227325210236  0.000855888644  0.001995500803  0.002738538868
  29  Al  3.977743327451  6.099771633905  6.190596446370  0.346064201541  -0.060425182969  -0.206844127541  -0.002941907229  0.001157882499  0.005543729090
  30  Al  6.096576005544  3.968705561813  6.092443932354  -0.036948253868  0.204719972159  -0.068057651419  0.001083254059  -0.003955149741  0.000879973221
  31  Al  6.148559616325  6.042744617164  4.038635928767  -0.168685673446  0.116163260331  -0.158170591532  0.003501013002  -0.001447459499  -0.001040099971


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)
  -78.078468450690  -0.215406336759  0.154811157196
  -0.215406336759  -78.578033534816  -1.288955911033
  0.154811157196  -1.288955911033  -73.172342645875
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.019171980054  8.075508650094  8.057058034784  0.247001129457  0.027966619043  -0.129456800480  -0.003573795492  -0.001194651216  -0.002565776805
  1  Al  8.064300538797  1.969643500137  1.947513360872  0.198977224740  0.145894993848  0.019895469503  -0.001332227830  -0.002506061566  -0.003948536792
  2  Al  1.978162390425  8.020892272848  1.985530761277  0.065978218291  0.157602661787  0.168934814441  -0.002198193181  -0.003860249803  -0.001618342459
  3  Al  1.973577124867  1.999864861081  8.080001552469  0.005418202185  -0.034470800606  -0.188688998902  -0.002579920026  -0.001368806743  -0.001606700343
  4  Al  0.017290439033  8.039245609972  4.167272833028  0.159194567035  0.071243797156  -0.383105730398  0.001290275308  -0.003007454149  0.005165650079
  5  Al  0.010644707982  2.022558450843  6.119610830297  -0.007622144802  -0.069000022925  -0.149442444215  0.000505326574  -0.000279670145  0.001967675625
  6  Al  2.000893016523  8.092978090514  6.058412301439  -0.039140377043  0.214582003125  0.095200100091  -0.001411105690  0.000258925771  -0.000653197865
  7  Al  2.018286745943  2.039678110204  4.099360469067  -0.041496287995  -0.106564235206  0.007214726035  -0.000439194358  0.000485166019  0.002638629930
  8  Al  8.066255790344  4.120898497971  7.997032372983  -0.004027443656  -0.197695306532  0.219564792568  -0.001745084754  0.003162172912  -0.004800172411
  9  Al  0.024529373845  6.064763019081  2.019858016457  -0.043274688315  -0.009260724435  0.102504032207  0.001210923714  -0.000546491776  0.000031281743
  10  Al  2.070398740834  3.971725608645  2.016913445937  -0.155424581916  0.418311818625  0.233795668492  0.002021639334  -0.002880359547  0.000127837677
  11  Al  2.040559001907  6.101407855086  0.091772408660  -0.131658948725  -0.016701376590  0.039958330650  0.000439863151  0.001362940345  0.004983536725
  12  Al  8.061547650860  4.078820632590  3.986896057476  0.278800135728  -0.057827857739  0.219724319662  -0.001305854214  0.001442437555  -0.002664159146
  13  Al  0.006556117239  6.047319103606  6.005271301524  -0.052287076511  0.023505287422  0.169645015972  0.000251575556  -0.001355594915  -0.003217580831
  14  Al  2.008533508678  4.015332080790  6.103382164177  -0.103094382422  -0.135360678957  -0.183734534831  -0.001157006645  -0.002204095682  0.001039023916
  15  Al  2.094960130672  6.084382907218  3.969393421903  -0.309027192093  -0.123037183086  0.088302678513  0.002834770973  0.000194402635  -0.004104001189
  16  Al  4.139698808850  0.096167668228  0.001022947556  -0.032263533114  -0.111609561094  0.205911552930  0.004521430572  0.004779110436  0.000595831261
  17  Al  3.949228606810  1.943671854144  2.011532426954  0.317034869059  0.149467785354  0.002365920050  -0.004377124750  -0.003824321939  -0.000729178450
  18  Al  6.140385187866  8.018130205953  1.931354136245  -0.283010305550  0.079411619419  0.189950234732  0.002615388187  -0.004159052556  -0.004413176566
  19  Al  6.100489770708  2.112890291261  7.983830651200  -0.202413935802  -0.344531780490  0.194005516819  0.000743299544  0.003747754168  -0.005710560593
  20  Al  4.075180712965  0.095949680640  4.058297178008  -0.148342726542  -0.313890363715  -0.036981912140  0.000952981725  0.004170001275  0.000294352434
  21  Al  4.071923569784  1.998462681654  6.098616128857  0.030525984497  0.141295190742  0.135484637348  0.001226926113  -0.001045144652  0.001604875928
  22  Al  6.076609561114  0.013788612723  6.088211999754  0.001830744105  0.229569976506  0.095494126714  0.000132206019  0.001375619619  0.000925235615
  23  Al  6.145257723615  2.039532204176  4.029753963039  -0.191535166204  -0.009648718393  0.248000082201  0.003116013996  0.000714310373  -0.000324215061
  24  Al  4.070846328137  4.037876410189  0.098433282135  0.105727949701  -0.079000811845  -0.363758986253  0.001356856003  -0.000852064956  0.004259848333
  25  Al  4.017401890410  6.165098142578  2.109736446334  0.145405543074  -0.141280388346  -0.229153950130  -0.001404197626  0.004255064629  0.003859673427
  26  Al  6.026308996941  4.121215136007  1.963047561730  0.084497395559  -0.032027557257  0.187085013127  -0.002404235134  0.003710203752  -0.002803947345
  27  Al  6.038344803371  6.113947035282  0.081580883413  0.018663833043  -0.157470532327  -0.289253572341  -0.001805451676  0.001626700870  0.003662846838
  28  Al  4.068890381569  4.089075946238  4.114894403823  -0.054197839167  0.000821634913  -0.228409328488  0.000846508079  0.001995645884  0.002697796528
  29  Al  3.976287842782  6.100347874171  6.193359065057  0.348962701360  -0.059949320595  -0.209234082524  -0.002879772324  0.001147121105  0.005506531997
  30  Al  6.097115981000  3.966737137852  6.092880876812  -0.037450543468  0.218335547140  -0.075514186439  0.001076602860  -0.003917328882  0.000867138002
  31  Al  6.150302582637  6.042026079870  4.038108808613  -0.171751324505  0.121318285057  -0.156302504916  0.003470578179  -0.001426228820  -0.001068213640


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)
  -77.800474061460  -0.217979210874  0.172130636433
  -0.217979210874  -78.335667203845  -1.331755924603
  0.172130636433  -1.331755924603  -72.733901901685
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.017396123170  8.074912574583  8.055769359709  0.250446333290  0.028904878720  -0.128566039875  -0.003529324046  -0.001189566945  -0.002588843861
  1  Al  8.063643319092  1.968396990808  1.945539981796  0.199574142279  0.150846407548  0.020849751024  -0.001296597625  -0.002479533098  -0.003944894198
  2  Al  1.977066243037  8.018969192729  1.984729141373  0.067346064262  0.171253961235  0.172169132282  -0.002186274086  -0.003830850257  -0.001587848011
  3  Al  1.972287407046  1.999178916878  8.079189767967  0.006250993272  -0.034221142693  -0.184842866194  -0.002578876808  -0.001374947753  -0.001640093823
  4  Al  0.017942692627  8.037745067470  4.169838533379  0.159102236894  0.077185105639  -0.395206821185  0.001318730814  -0.002994184712  0.005096069497
  5  Al  0.010897030562  2.022415531494  6.120587988087  -0.009483165149  -0.069437699850  -0.153936046844  0.000503797371  -0.000292046378  0.001940553806
  6  Al  2.000185714117  8.093117145138  6.058089957916  -0.032467176564  0.212774441697  0.099119875422  -0.001417507354  0.000297131130  -0.000635825799
  7  Al  2.018065293894  2.039915929830  4.100680106527  -0.039785563414  -0.107431057829  0.001253638600  -0.000446460897  0.000466034993  0.002639386995
  8  Al  8.065383067941  4.122470747517  7.994642101245  -0.006269383048  -0.202668033708  0.227145669168  -0.001746005283  0.003126380717  -0.004760236817
  9  Al  0.025132901339  6.064489359241  2.019878239221  -0.049058184510  -0.010397285216  0.101058367741  0.001202669222  -0.000548249188  0.000049480075
  10  Al  2.071402613078  3.970304127259  2.016987815358  -0.159129983052  0.419127469999  0.238618565072  0.001993518382  -0.002805493078  0.000170071169
  11  Al  2.040773048375  6.102088578713  0.094265963146  -0.129444959101  -0.020327202974  0.030284543879  0.000416520650  0.001359630016  0.004989816388
  12  Al  8.060907186019  4.079539266483  3.985573799501  0.282038282978  -0.064760183641  0.221613340318  -0.001255715663  0.001431478272  -0.002624703876
  13  Al  0.006679567803  6.046642356826  6.003670094179  -0.057021214856  0.022451992319  0.177346949784  0.000241803473  -0.001351486368  -0.003186559999
  14  Al  2.007950397074  4.014223982376  6.103893463267  -0.098881689662  -0.131976110860  -0.187804881666  -0.001175063160  -0.002227995398  0.001005808560
  15  Al  2.096363702754  6.084474608818  3.967345368407  -0.311796134305  -0.127134812580  0.099952199521  0.002779269814  0.000172037439  -0.004087171338
  16  Al  4.141958081967  0.098552234538  0.001330067359  -0.031078232248  -0.119832903210  0.207112847745  0.004515767864  0.004758419646  0.000632755345
  17  Al  3.947054215780  1.941766374330  2.011167943485  0.324776377043  0.154414356057  0.004410003268  -0.004319747287  -0.003797155094  -0.000728572687
  18  Al  6.141680231501  8.016054229346  1.929156038669  -0.288082397407  0.090493275568  0.196019421566  0.002564332910  -0.004143863181  -0.004378671157
  19  Al  6.100852372650  2.114748767898  7.980984042880  -0.204972075763  -0.353900937642  0.210612396888  0.000706879528  0.003685314785  -0.005674388043
  20  Al  4.075650572961  0.098020650491  4.058442701147  -0.150036187995  -0.319832907701  -0.034768785564  0.000926306865  0.004113346870  0.000287937974
  21  Al  4.072538397341  1.997946425172  6.099424622936  0.031579221618  0.146124936846  0.134747813010  0.001232478273  -0.001019449500  0.001629034515
  22  Al  6.076675745957  0.014486684228  6.088678886114  -0.003711238362  0.227551724609  0.097321853962  0.000132037904  0.001416485970  0.000942473225
  23  Al  6.146807169059  2.039888928068  4.029602941022  -0.196799555624  -0.008340367448  0.246145963021  0.003081297151  0.000712702162  -0.000280038760
  24  Al  4.071529482140  4.037446846403  0.100546946406  0.108152898049  -0.077914070535  -0.375747546160  0.001375976797  -0.000866093033  0.004193736981
  25  Al  4.016706291172  6.167219359710  2.111656039948  0.154967748247  -0.144259892134  -0.237853000185  -0.001377344470  0.004229537533  0.003817923341
  26  Al  6.025110656377  4.123068806263  1.961653950690  0.089460619107  -0.040982234527  0.193698748649  -0.002388683412  0.003703676729  -0.002769905551
  27  Al  6.037442911800  6.114753346841  0.083399377301  0.014997637779  -0.162337460934  -0.305195096327  -0.001802442365  0.001598110265  0.003609703555
  28  Al  4.069311212985  4.090073805906  4.116233092272  -0.053584780805  0.000356899599  -0.229255947314  0.000836872391  0.001995751244  0.002656881582
  29  Al  3.974863555127  6.100918755010  6.196102978368  0.355964865200  -0.061870862515  -0.210235045883  -0.002816752307  0.001136230469  0.005469031759
  30  Al  6.097652608404  3.964788232931  6.093311070356  -0.043029926084  0.232552718874  -0.082094153961  0.001069407964  -0.003877019795  0.000853047930
  31  Al  6.152030194505  6.041318388344  4.037567715128  -0.180025572069  0.123586997287  -0.153974849762  0.003439129578  -0.001404334464  -0.001095952212


