MDSTEP:  0
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.332434106529  0.000000001162  -0.000000000009
  0.000000001162  -83.332434105858  -0.000000000001
  -0.000000000009  -0.000000000001  -83.332434096787
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  0.000000000000  0.000000000000  0.000000000000  -0.000000000001  -0.000000000001  -0.000000000002  -0.004425071690  -0.001281498630  -0.002000837435
  1  Al  0.000000000000  2.024999061936  2.024999061936  0.000000000001  -0.000000000001  0.000000000001  -0.002093470803  -0.002999294889  -0.003980228943
  2  Al  2.024999061936  0.000000000000  2.024999061936  -0.000000000001  0.000000000001  -0.000000000001  -0.002520087903  -0.004089644083  -0.002235195941
  3  Al  2.024999061936  2.024999061936  0.000000000000  0.000000000001  -0.000000000000  0.000000000000  -0.002685752935  -0.001248068535  -0.000685388041
  4  Al  0.000000000000  0.000000000000  4.049998123872  -0.000000000000  -0.000000000000  0.000000000002  0.000672675373  -0.003153411104  0.006422181302
  5  Al  0.000000000000  2.024999061936  6.074997185808  0.000000000001  -0.000000000003  -0.000000000001  0.000577602730  -0.000054943841  0.002437434778
  6  Al  2.024999061936  0.000000000000  6.074997185808  -0.000000000003  0.000000000001  0.000000000000  -0.001118347254  -0.000706385492  -0.000934920366
  7  Al  2.024999061936  2.024999061936  4.049998123872  -0.000000000000  0.000000000001  0.000000000001  -0.000295344746  0.000897088638  0.002452610785
  8  Al  0.000000000000  4.049998123872  0.000000000000  0.000000000001  0.000000000000  0.000000000001  -0.001722053504  0.003879162029  -0.005510877052
  9  Al  0.000000000000  6.074997185808  2.024999061936  -0.000000000001  0.000000000001  -0.000000000000  0.001254808809  -0.000515667031  -0.000431025296
  10  Al  2.024999061936  4.049998123872  2.024999061936  0.000000000003  -0.000000000001  0.000000000000  0.002458152205  -0.004637196700  -0.000680566371
  11  Al  2.024999061936  6.074997185808  0.000000000000  0.000000000000  0.000000000000  -0.000000000000  0.000998063669  0.001326982898  0.004502338722
  12  Al  0.000000000000  4.049998123872  4.049998123872  0.000000000000  0.000000000000  -0.000000000000  -0.002309748049  0.001455304057  -0.003543981631
  13  Al  0.000000000000  6.074997185808  6.074997185808  -0.000000000000  0.000000000003  -0.000000000001  0.000354044851  -0.001455910047  -0.003746358293
  14  Al  2.024999061936  4.049998123872  6.074997185808  0.000000000001  -0.000000000001  -0.000000000001  -0.000659153259  -0.001530613106  0.001657278184
  15  Al  2.024999061936  6.074997185808  4.049998123872  -0.000000000001  -0.000000000001  0.000000000001  0.003974836287  0.000624379923  -0.004080285144
  16  Al  4.049998123872  0.000000000000  0.000000000000  0.000000000000  0.000000000000  -0.000000000000  0.004646739405  0.004966787549  -0.000238329163
  17  Al  4.049998123872  2.024999061936  2.024999061936  -0.000000000000  0.000000000003  -0.000000000001  -0.005583145212  -0.004341976652  -0.000657799079
  18  Al  6.074997185808  0.000000000000  2.024999061936  0.000000000001  -0.000000000001  -0.000000000001  0.003744986611  -0.004168035588  -0.004969968451
  19  Al  6.074997185808  2.024999061936  0.000000000000  -0.000000000001  -0.000000000001  0.000000000001  0.001622668924  0.004864793055  -0.006003461764
  20  Al  4.049998123872  0.000000000000  4.049998123872  0.000000000000  0.000000000000  0.000000000001  0.001457128591  0.005300222171  0.000502385564
  21  Al  4.049998123872  2.024999061936  6.074997185808  -0.000000000001  0.000000000001  0.000000000000  0.001065947697  -0.001508108336  0.000989194773
  22  Al  6.074997185808  0.000000000000  6.074997185808  0.000000000002  -0.000000000001  0.000000000000  0.000041316718  0.000329776803  0.000544102629
  23  Al  6.074997185808  2.024999061936  4.049998123872  -0.000000000000  0.000000000000  -0.000000000000  0.003858799008  0.000765111849  -0.001441803820
  24  Al  4.049998123872  4.049998123872  0.000000000000  -0.000000000000  -0.000000000000  0.000000000002  0.000912465913  -0.000497224802  0.005414710564
  25  Al  4.049998123872  6.074997185808  2.024999061936  0.000000000001  -0.000000000003  -0.000000000001  -0.001771589374  0.004820691407  0.004566037699
  26  Al  6.074997185808  4.049998123872  2.024999061936  -0.000000000003  0.000000000001  0.000000000000  -0.002501510038  0.003576368197  -0.003330736524
  27  Al  6.074997185808  6.074997185808  0.000000000000  -0.000000000000  0.000000000001  0.000000000001  -0.001932157088  0.002184091497  0.004386629597
  28  Al  4.049998123872  4.049998123872  4.049998123872  -0.000000000000  -0.000000000001  -0.000000000002  0.001031692844  0.002018651797  0.003685142344
  29  Al  4.049998123872  6.074997185808  6.074997185808  0.000000000000  -0.000000000001  0.000000000001  -0.004266906061  0.001380701632  0.006387900195
  30  Al  6.074997185808  4.049998123872  6.074997185808  -0.000000000001  0.000000000001  -0.000000000000  0.001153464058  -0.004388882918  0.000879320218
  31  Al  6.074997185808  6.074997185808  4.049998123872  0.000000000001  -0.000000000000  0.000000000000  0.004058946414  -0.001813251747  -0.000355497477


MDSTEP:  1
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.336957341596  -0.000381560997  0.000091526151
  -0.000381560997  -83.337528206200  -0.001000840632
  0.000091526151  -0.001000840632  -83.333249838597
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.097783711899  8.099355498429  8.098995829026  0.006559393440  -0.000134747771  -0.004163577944  -0.004424485285  -0.001281510676  -0.002001209656
  1  Al  8.098949512342  2.023499414492  2.023008947464  0.006149621537  0.002978260376  -0.000036655010  -0.002092921032  -0.002999028634  -0.003980232220
  2  Al  2.023739017984  8.097951425702  2.023881463966  0.002544604563  0.000068649203  0.004159394704  -0.002519860417  -0.004089637946  -0.002234824094
  3  Al  2.023656185469  2.024375027668  8.099653553723  0.001571091096  -0.001172947736  -0.007780627571  -0.002685612480  -0.001248173396  -0.000686083623
  4  Al  0.000336337686  8.098419542192  4.053209214523  0.004486654322  0.001432916788  -0.009238585628  0.000673076476  -0.003153283002  0.006421355379
  5  Al  0.000288801365  2.024971590016  6.076215903197  -0.000811615130  -0.001504285740  -0.002800984731  0.000577530172  -0.000055078323  0.002437184372
  6  Al  2.024439888309  8.099643054998  6.074529725625  -0.002952271323  0.007076912387  0.002318588197  -0.001118611185  -0.000705752821  -0.000934713085
  7  Al  2.024851389563  2.025447606255  4.051224429264  -0.001496620745  -0.004078774622  0.001048114172  -0.000295478543  0.000896723999  0.002452704486
  8  Al  8.099135220992  4.051937704886  8.097240809218  0.000518988060  -0.005503664212  0.005561924024  -0.001722007107  0.003878670006  -0.005510379820
  9  Al  0.000627404404  6.074739352292  2.024783549288  0.000854277354  0.000388465562  0.002906928315  0.001254885181  -0.000515632303  -0.000430765418
  10  Al  2.026228138038  4.047679525522  2.024658778750  -0.002809936752  0.014439660663  0.004468385683  0.002457900998  -0.004635905805  -0.000680166901
  11  Al  2.025498093770  6.075660677257  0.002251169361  -0.005072829510  0.001598679123  0.004043328083  0.000997610162  0.001327125819  0.004502700193
  12  Al  8.098841373719  4.050725775900  4.048226133056  0.007398093926  0.001227453579  0.007208397188  -0.002309086665  0.001455413790  -0.003543337206
  13  Al  0.000177022426  6.074269230784  6.073124006661  0.001077588114  0.001538145370  0.005383064991  0.000354141187  -0.001455772538  -0.003745877051
  14  Al  2.024669485306  4.049232817319  6.075825824900  -0.004486393497  -0.004439541397  -0.002927325378  -0.000659554339  -0.001531009998  0.001657016483
  15  Al  2.026986480079  6.075309375769  4.047957981300  -0.008682794403  -0.002856136589  -0.001477392305  0.003974060051  0.000624124586  -0.004080417222
  16  Al  4.052321493574  0.002483393775  8.099877083162  -0.002268411875  -0.000749775778  0.005997490622  0.004646536610  0.004966720520  -0.000237792992
  17  Al  4.047206551266  2.022828073610  2.024670162396  0.010333617352  0.003501860968  -0.001035720697  -0.005582221394  -0.004341663588  -0.000657891672
  18  Al  6.076869679113  8.097912229950  2.022514077710  -0.008572935370  -0.000529868932  0.002914064344  0.003744220197  -0.004168082958  -0.004969707936
  19  Al  6.075808520270  2.027431458463  8.096994516862  -0.007555265692  -0.007679005645  0.000566794004  0.001621993489  0.004864106557  -0.006003411093
  20  Al  4.050726688167  0.002650111085  4.050249316654  -0.002925563151  -0.008682758382  -0.001132404028  0.001456867047  0.005299445938  0.000502284328
  21  Al  4.050531097721  2.024245007768  6.075491783194  0.000870577076  0.002241368382  0.005626079525  0.001066025526  -0.001507907960  0.000989697740
  22  Al  6.075017844167  0.000164888402  6.075269237122  0.000841714362  0.007608896848  0.003236198064  0.000041391967  0.000330457033  0.000544391943
  23  Al  6.076926585312  2.025381617860  4.049277221962  -0.005827098015  -0.001394743027  0.008594759394  0.003858278070  0.000764987160  -0.001441035455
  24  Al  4.050454356828  4.049749511471  0.002707355282  0.002984602494  -0.001682015320  -0.008242006090  0.000912732734  -0.000497375173  0.005413973735
  25  Al  4.049112329185  6.077407531511  2.027282080785  0.001238098213  -0.004946095281  -0.005184845642  -0.001771478689  0.004820249230  0.004565574178
  26  Al  6.073746430789  4.051786307971  2.023333693674  -0.000398881263  0.001586945257  0.001821344800  -0.002501545697  0.003576510069  -0.003330573697
  27  Al  6.074031107264  6.076089231556  0.002193314799  0.001934125552  -0.003878498219  -0.004283880107  -0.001931984178  0.002183744762  0.004386246622
  28  Al  4.050513970294  4.051007449770  4.051840695044  -0.001474052526  -0.000903450192  -0.008941344147  0.001031561064  0.002018571029  0.003684342995
  29  Al  4.047864670841  6.075687536624  6.078191135905  0.012038916988  -0.001539109310  -0.007868056607  -0.004265829790  0.001380564037  0.006387196797
  30  Al  6.075573917837  4.047803682413  6.075436845917  -0.000779727668  0.002908322905  0.003701282141  0.001153394351  -0.004388622916  0.000879651110
  31  Al  6.077026659015  6.074090559934  4.049820375133  -0.005287567527  0.003078880742  -0.004442732366  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)
  -83.326189574067  -0.001401342033  0.000261166564
  -0.001401342033  -83.328143224134  -0.004230240953
  0.000261166564  -0.004230240953  -83.310838761576
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.095571762458  8.098714737068  8.097995038087  0.011471527727  0.000341559929  -0.009523685872  -0.004422873334  -0.001281492187  -0.002002433288
  1  Al  8.097903326712  2.022000033302  2.021018829716  0.011806062736  0.005428934340  0.000068034184  -0.002091315806  -0.002998277037  -0.003980229415
  2  Al  2.022479201519  8.095906609798  2.022764237842  0.005927978658  -0.001620830333  0.009392549069  -0.002519102975  -0.004089776710  -0.002233612560
  3  Al  2.022313449456  2.023750888540  8.099310164121  0.004091021698  -0.002942016909  -0.017267284858  -0.002685106292  -0.001248541271  -0.000688322888
  4  Al  0.000673076476  8.096842964742  4.056419479250  0.009338803136  0.001654323512  -0.017372633241  0.000674312462  -0.003153007005  0.006418976355
  5  Al  0.000577530172  2.024943983613  6.077434370180  -0.002655855838  -0.002963292030  -0.005572482878  0.000577220183  -0.000055477721  0.002436435790
  6  Al  2.023880450751  8.099290494923  6.074062472722  -0.005791607399  0.015642407972  0.003399594839  -0.001119392882  -0.000703721730  -0.000934201884
  7  Al  2.024703583393  2.025895785934  4.052450828358  -0.002326323488  -0.007945143651  0.003810460119  -0.000295820312  0.000895649069  0.002453138839
  8  Al  8.098274240637  4.053876793877  8.094485867924  -0.000704797443  -0.010674601691  0.009837817201  -0.001722023718  0.003877223680  -0.005509003094
  9  Al  0.001254885181  6.074481553505  2.024568296518  0.001820880394  0.000790587018  0.007377237194  0.001255124338  -0.000515526896  -0.000429846021
  10  Al  2.027456962934  4.045362218067  2.024318895035  -0.004353489996  0.029878832267  0.010196842903  0.002457260593  -0.004631943763  -0.000678855840
  11  Al  2.025996672098  6.076324311626  0.004502700193  -0.009632994813  0.003876025025  0.010868758275  0.000996295472  0.001327615253  0.004504033323
  12  Al  8.097687161079  4.051453537662  4.046454786666  0.014893973995  0.003182583742  0.015013411827  -0.002307093770  0.001455808045  -0.003541350592
  13  Al  0.000354141187  6.073541413270  6.071251308757  0.000964296331  0.002717406613  0.008663972317  0.000354323730  -0.001455392095  -0.003744621256
  14  Al  2.024339507596  4.048467113874  6.076654202291  -0.009170373502  -0.011280314683  -0.007814456924  -0.000660775245  -0.001532415342  0.001656056175
  15  Al  2.028973121987  6.075621310394  4.045917706650  -0.016946816760  -0.005439602955  -0.004937145702  0.003971768782  0.000623382953  -0.004080990677
  16  Al  4.054644660482  0.004966720520  8.099758454752  -0.003399393582  0.000161263386  0.012794581827  0.004646029913  0.004966667907  -0.000236112994
  17  Al  4.044415902478  2.020657398348  2.024341170264  0.020071084754  0.006362398231  -0.002096020008  -0.005579503235  -0.004340781730  -0.000658171647
  18  Al  6.078741406004  8.095828164786  2.020029354000  -0.017861269126  -0.003005144310  0.005292581079  0.003741856998  -0.004168398985  -0.004968974267
  19  Al  6.076619179296  2.029863168493  8.093992836651  -0.015428329698  -0.014847355010  -0.001489336977  0.001619938772  0.004862092717  -0.006003493567
  20  Al  4.051454990919  0.005299445938  4.050500408199  -0.006272971057  -0.017073665261  -0.002895945351  0.001456044705  0.005297143333  0.000501924196
  21  Al  4.051064149398  2.023491153976  6.075986883548  0.002356560235  0.004606555616  0.011050736756  0.001066314030  -0.001507295760  0.000991188636
  22  Al  6.075038577774  0.000330457033  6.075541577751  0.002281811994  0.017131250547  0.006619981516  0.000041671208  0.000332668784  0.000545273078
  23  Al  6.078855463878  2.025764049095  4.048557088417  -0.011796207128  -0.002289649227  0.019417802946  0.003856702559  0.000764657778  -0.001438531152
  24  Al  4.050910856606  4.049500748698  0.005413973735  0.007476864063  -0.004773400477  -0.014954768376  0.000913667982  -0.000497952283  0.005411899960
  25  Al  4.048226645183  6.079817435037  2.029564636114  0.002462293329  -0.009041583512  -0.008916875821  -0.001771147877  0.004818998741  0.004564313494
  26  Al  6.072495640110  4.053574633941  2.021668488239  -0.002252522557  0.004939276374  0.003572258694  -0.002501782731  0.003577093509  -0.003330091513
  27  Al  6.073065201629  6.077180930569  0.004386246622  0.003381259158  -0.007704685166  -0.007092478464  -0.001931508987  0.002182709233  0.004385229583
  28  Al  4.051029684936  4.052016694901  4.053682466866  -0.002844951677  -0.001875918198  -0.017774262097  0.001031174948  0.002018322556  0.003681954639
  29  Al  4.045732294082  6.076377749844  6.081384382605  0.024159281283  -0.002665479536  -0.016397698951  -0.004262593697  0.001380188149  0.006385027456
  30  Al  6.076150580159  4.045609500956  6.075876836918  -0.000916310493  0.003478209002  0.007012000174  0.001153242726  -0.004388051965  0.000880608870
  31  Al  6.079055659517  6.073184209310  4.049642229217  -0.010149484933  0.005951069378  -0.010283545399  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)
  -83.307605643063  -0.002449263422  0.000291696345
  -0.002449263422  -83.312353658316  -0.009845969696
  0.000291696345  -0.009845969696  -83.273705709581
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.093360838565  8.098074006241  8.096993395738  0.017907184760  0.000790891523  -0.012799922359  -0.004420246898  -0.001281390947  -0.002004429002
  1  Al  8.096858196535  2.020501137454  2.019028718049  0.019034481512  0.011270263267  0.000942715378  -0.002088558684  -0.002996784141  -0.003980139055
  2  Al  2.021219915010  8.093861648992  2.021647851406  0.008159471616  -0.002589586487  0.015996705609  -0.002517843567  -0.004090153118  -0.002231342779
  3  Al  2.020971079177  2.023126486398  8.098965230835  0.004729154092  -0.001258669531  -0.024146722653  -0.002684317774  -0.001248916809  -0.000692025271
  4  Al  0.001010650148  8.095266535187  4.059628190877  0.015602843969  0.002148682654  -0.027139078587  0.000676542227  -0.003152667019  0.006414997040
  5  Al  0.000866021547  2.024916112295  6.078652338987  -0.002905135107  -0.001846820280  -0.009804964511  0.000576723034  -0.000055907741  0.002435061057
  6  Al  2.023320495427  8.098939333268  6.073595523741  -0.010079859974  0.024199821007  0.002884592563  -0.001120811779  -0.000700159863  -0.000933640082
  7  Al  2.024555569251  2.026343255324  4.053677568103  -0.004027165779  -0.009465199519  0.004489689329  -0.000296388309  0.000894092597  0.002453880866
  8  Al  8.097413197274  4.055814928567  8.091731806123  0.000250743462  -0.016586615314  0.016085246422  -0.001722064310  0.003874786547  -0.005506685591
  9  Al  0.001882528742  6.074223825396  2.024353703267  0.003475791642  -0.001702645493  0.013010927528  0.001255597856  -0.000515608434  -0.000428023334
  10  Al  2.028685398631  4.043047581759  2.023979922910  -0.007208155319  0.044709181359  0.017050933468  0.002456226990  -0.004625275648  -0.000676419908
  11  Al  2.026494389242  6.076988292510  0.006755202684  -0.015398223082  0.002562137912  0.018389146789  0.000994057699  0.001328190820  0.004506648958
  12  Al  8.096534279949  4.052181583945  4.044684782465  0.022919479731  0.004932816191  0.020783101886  -0.002303713274  0.001456533555  -0.003538150409
  13  Al  0.000531346155  6.072813838690  6.069379385406  0.002592092647  0.001319941201  0.010913128027  0.000354641668  -0.001455031159  -0.003742871077
  14  Al  2.024008710062  4.047700401977  6.077481881075  -0.014955029220  -0.017363150589  -0.013027818091  -0.000662932038  -0.001534976047  0.001654192891
  15  Al  2.030958248862  6.075932758722  4.043876990622  -0.026549696928  -0.010635063790  -0.009606769160  0.003967880225  0.000621945889  -0.004082290893
  16  Al  4.056967523487  0.007450061682  8.099640970168  -0.005020213094  0.000522074284  0.021074149194  0.004645277206  0.004966728997  -0.000233085154
  17  Al  4.041627048031  2.018487291880  2.024011990750  0.028523170260  0.012482346575  -0.001941000260  -0.005575158944  -0.004339097024  -0.000658532554
  18  Al  6.080611536111  8.093743830964  2.017545103443  -0.025988434260  -0.004927842693  0.008703312495  0.003737936866  -0.004169108189  -0.004967723045
  19  Al  6.077428459041  2.032293551180  8.090991023295  -0.022510411038  -0.019876659172  -0.001097727702  0.001616547076  0.004858988415  -0.006003724849
  20  Al  4.052182732872  0.007947254418  4.050751240850  -0.011373867898  -0.024975750393  -0.006168496584  0.001454467090  0.005293384145  0.000501113841
  21  Al  4.051597411751  2.022737712008  6.076482971830  0.003078182671  0.009718839283  0.015093468313  0.001066799892  -0.001506015080  0.000993525909
  22  Al  6.075059515374  0.000497557186  6.075814510200  0.004458772824  0.026839840846  0.008996514531  0.000042273811  0.000336599768  0.000546669182
  23  Al  6.080783287871  2.026146275638  4.047838690810  -0.016809524339  -0.000155626839  0.028192101510  0.003854145227  0.000764439172  -0.001434274861
  24  Al  4.051368024810  4.049251559188  0.008119255242  0.010156684284  -0.007647345627  -0.020600247583  0.000915244408  -0.000499062689  0.005408721367
  25  Al  4.047341181308  6.082226530252  2.031846394279  0.002734442774  -0.016380093464  -0.011798954320  -0.001770683292  0.004816726062  0.004562461514
  26  Al  6.071244648058  4.055363401479  2.020003602161  -0.002399149852  0.007875275509  0.007288523684  -0.002502198587  0.003578239120  -0.003329120567
  27  Al  6.072099598277  6.078271940789  0.006578544382  0.005686813999  -0.013802017086  -0.008278271603  -0.001930698308  0.002180786550  0.004383855449
  28  Al  4.051545145242  4.053025772326  4.055522649683  -0.005184875550  -0.002840683634  -0.028429655164  0.001030457088  0.002017900895  0.003677824042
  29  Al  4.043602077144  6.077067724773  6.084576163361  0.034737651256  -0.007001241815  -0.025439911682  -0.004257328354  0.001379323951  0.006381287203
  30  Al  6.076727160563  4.043415630448  6.076317454786  -0.000265903040  0.004296625806  0.008400809555  0.001153137037  -0.004387356900  0.000881986764
  31  Al  6.081083752662  6.072278390707  4.049463163960  -0.013371317018  0.005386274310  -0.018015526023  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)
  -83.281666250249  -0.004258689569  0.000500109100
  -0.004258689569  -83.289834348555  -0.017565819777
  0.000500109100  -0.017565819777  -83.220986281075
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.091151515560  8.097433346121  8.095990609085  0.023534723628  0.001266701945  -0.018116306844  -0.004416542021  -0.001281207000  -0.002007192891
  1  Al  8.095814768028  2.019003249161  2.017038690661  0.024749885575  0.013659389168  0.000085858765  -0.002084644393  -0.002994555448  -0.003980047101
  2  Al  2.019961357952  8.091816456680  2.020532895063  0.011846635291  -0.003324209988  0.020062316128  -0.002516055035  -0.004090681807  -0.002228119128
  3  Al  2.019629131681  2.022501971731  8.098618138850  0.007003299060  -0.003341421171  -0.033295053833  -0.002683268901  -0.001249328054  -0.000697160524
  4  Al  0.001349618704  8.093690297723  4.062834476290  0.020176939958  0.002700786896  -0.035186005488  0.000679740914  -0.003152233480  0.006409425222
  5  Al  0.001154253206  2.024888075872  6.079869431237  -0.004255354005  -0.004029151589  -0.011959823753  0.000576082891  -0.000056433049  0.002433115301
  6  Al  2.022759638971  8.098590335060  6.073128832640  -0.012677595216  0.032781248072  0.005217680472  -0.001122846280  -0.000695065797  -0.000932915745
  7  Al  2.024407195084  2.026789878531  4.054904709224  -0.004484161729  -0.013785350277  0.007184906624  -0.000297149216  0.000892014014  0.002454924567
  8  Al  8.096552176327  4.057751580424  8.088979182332  -0.000536835972  -0.022284166699  0.020416115750  -0.001722089887  0.003871311527  -0.005503422396
  9  Al  0.002510483037  6.073965945072  2.024140273184  0.003868908063  -0.000826626521  0.016272878929  0.001256254467  -0.000515834549  -0.000425405383
  10  Al  2.029913189925  4.040736942419  2.023642475127  -0.008626098222  0.059672816871  0.022021650841  0.002454811419  -0.004615943973  -0.000672926847
  11  Al  2.026990729797  6.077652502447  0.009009349151  -0.019680954575  0.004924774517  0.023928703228  0.000990921646  0.001328860145  0.004510432144
  12  Al  8.095383447805  4.052910071218  4.042916636257  0.030214705044  0.006370046796  0.028664147810  -0.002298963116  0.001457544023  -0.003533729861
  13  Al  0.000708782855  6.072086382111  6.067508437680  0.002537987640  0.003216207488  0.015369778584  0.000355100294  -0.001454625630  -0.003740521404
  14  Al  2.023676575558  4.046932137827  6.078308395181  -0.019178753996  -0.023712545637  -0.016666333241  -0.000665983574  -0.001538648184  0.001651538255
  15  Al  2.032941002212  6.076243256283  4.041835415757  -0.034572430105  -0.012924927307  -0.011999497410  0.003962415951  0.000619839643  -0.004084222477
  16  Al  4.059289937688  0.009933449517  8.099525369598  -0.006010975823  0.000824547524  0.027230662779  0.004644291025  0.004966849384  -0.000228766738
  17  Al  4.038840743534  2.016318301325  2.023682637711  0.038432823157  0.015207421102  -0.003800981801  -0.005569173126  -0.004336621578  -0.000659045883
  18  Al  6.082479342870  8.091659056597  2.015061630956  -0.035682511837  -0.006623793083  0.010798771619  0.003732423528  -0.004170140897  -0.004965979572
  19  Al  6.078235726372  2.034722156908  8.087989111802  -0.030962504320  -0.027981831594  -0.002465576726  0.001611766635  0.004854709900  -0.006004043406
  20  Al  4.052909458009  0.010592830083  4.051001522041  -0.014491599776  -0.033359354592  -0.007469988843  0.001452154736  0.005288169029  0.000499894571
  21  Al  4.052130949291  2.021985138896  6.076980409457  0.004921573960  0.011627165139  0.021413006801  0.001067515065  -0.001504106763  0.000996789561
  22  Al  6.075080851586  0.000667056802  6.076088246932  0.004948191394  0.036158784570  0.013049902446  0.000043114787  0.000342231800  0.000548640115
  23  Al  6.082709609105  2.026528488267  4.047122813556  -0.023347719304  -0.001702830877  0.038762003205  0.003850555199  0.000764273027  -0.001428289212
  24  Al  4.051826101014  4.049001686010  0.010822695102  0.014497084765  -0.010551295076  -0.028412575268  0.000917448437  -0.000500689634  0.005404339656
  25  Al  4.046455961890  6.084634161099  2.034127097627  0.004406097005  -0.020364143184  -0.016785272645  -0.001770044933  0.004813441153  0.004559906104
  26  Al  6.069993441523  4.057152873062  2.018339367672  -0.003990912260  0.010600294215  0.008711002902  -0.002502769854  0.003579890823  -0.003327690221
  27  Al  6.071134503322  6.079361717119  0.008770102071  0.006589156082  -0.017090576418  -0.011913908615  -0.001929600845  0.002178024774  0.004382050283
  28  Al  4.052060142024  4.054034595796  4.057360290908  -0.006455110338  -0.003512422695  -0.036858806045  0.001029416481  0.002017332932  0.003671987300
  29  Al  4.041474965727  6.077757073796  6.087765669808  0.046961200899  -0.007828808010  -0.032710921281  -0.004250024536  0.001377998156  0.006376088561
  30  Al  6.077303717196  4.041222144055  6.076758823681  -0.001180406405  0.005431674478  0.011940701255  0.001153007738  -0.004386487197  0.000883805280
  31  Al  6.083110650422  6.071373053634  4.049282488128  -0.018555287639  0.008801595937  -0.023489036344  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)
  -83.248712131396  -0.006496157446  0.000809880262
  -0.006496157446  -83.261273848232  -0.027458739054
  0.000809880262  -0.027458739054  -83.153427208427
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.088944296543  8.096792799242  8.094986202847  0.029917495363  0.001605963943  -0.022826825992  -0.004411763431  -0.001280950185  -0.002010853178
  1  Al  8.094773552142  2.017506582006  2.015048670949  0.031080886037  0.017703425579  0.001151552313  -0.002079653162  -0.002991751635  -0.003979936477
  2  Al  2.018703859975  8.089770967185  2.019419732278  0.013919227006  -0.003693726980  0.025845990577  -0.002513751585  -0.004091309206  -0.002224014959
  3  Al  2.018287810276  2.021877158344  8.098268070311  0.007868384130  -0.003638224657  -0.041463156141  -0.002681939384  -0.001249952029  -0.000703843855
  4  Al  0.001690391063  8.092114301708  4.066037616100  0.025415089484  0.003454437755  -0.043998562809  0.000683816809  -0.003151683207  0.006402346179
  5  Al  0.001442104439  2.024859679246  6.081085454288  -0.004937308682  -0.004796733631  -0.016060005133  0.000575261074  -0.000057222077  0.002430610348
  6  Al  2.022197649148  8.098244267472  6.072662607996  -0.016528209727  0.040642227035  0.005882877768  -0.001125457258  -0.000688501791  -0.000931923363
  7  Al  2.024258420035  2.027235269338  4.056132492670  -0.006396103234  -0.016574547338  0.009008970224  -0.000298121903  0.000889299861  0.002456372288
  8  Al  8.095691107387  4.059686240094  8.086228383727  -0.000385912068  -0.027751852301  0.025584163444  -0.001722172380  0.003866838343  -0.005499310004
  9  Al  0.003138783210  6.073707990847  2.023928297884  0.004846627372  -0.001632016698  0.021182400422  0.001257033630  -0.000516054350  -0.000422056908
  10  Al  2.031140210051  4.038431637786  2.023306996063  -0.011760001727  0.074243112532  0.028587534666  0.002452988917  -0.004603971985  -0.000668402423
  11  Al  2.027485310888  6.078317152655  0.011265634827  -0.025201495603  0.005475567478  0.029292772865  0.000986909187  0.001329789928  0.004515190105
  12  Al  8.094235316833  4.053639127968  4.041151052604  0.038108542568  0.007608775798  0.035731996526  -0.002292855067  0.001458793720  -0.003527972892
  13  Al  0.000886446449  6.071359213059  6.065638864002  0.003325713866  0.003593566603  0.018260881047  0.000355624505  -0.001454016841  -0.003737514847
  14  Al  2.023342726488  4.046161753793  6.079133419330  -0.024445191026  -0.029325688279  -0.021855369954  -0.000669883523  -0.001543389764  0.001648094442
  15  Al  2.034920664813  6.076552598365  4.039792768145  -0.044031424875  -0.016753579580  -0.014186257253  0.003955388823  0.000617186406  -0.004086563465
  16  Al  4.061611814512  0.012416911066  8.099412203430  -0.007627445706  0.000799933373  0.033828533602  0.004643071760  0.004966994612  -0.000223308090
  17  Al  4.036057874904  2.014150670302  2.023352944867  0.047797182706  0.019726720546  -0.003719156430  -0.005561464226  -0.004333498491  -0.000659718178
  18  Al  6.084343959639  8.089573690068  2.012579123871  -0.043836960431  -0.007894999423  0.014798355286  0.003725314544  -0.004171438866  -0.004963691208
  19  Al  6.079040225677  2.037148261080  8.084986979889  -0.037807323323  -0.034737587319  -0.002595893896  0.001605618662  0.004849102829  -0.006004495898
  20  Al  4.053634887608  0.013235423447  4.051251135420  -0.018286458600  -0.041701995676  -0.009166961137  0.001449224401  0.005281458598  0.000498407239
  21  Al  4.052664926816  2.021233605245  6.077479761391  0.005933257397  0.015097333322  0.025749872863  0.001068485479  -0.001501717612  0.001001005889
  22  Al  6.075102630161  0.000839788986  6.076363150316  0.006821668899  0.045053469410  0.015218773837  0.000044167004  0.000349492117  0.000551167315
  23  Al  6.084633843070  2.026910548665  4.046410401597  -0.028465736034  -0.001692656837  0.048140380783  0.003845923113  0.000763969473  -0.001420520202
  24  Al  4.052285473247  4.048750869554  0.013523594898  0.017750535660  -0.013235207861  -0.035821253003  0.000920331352  -0.000502816130  0.005398597198
  25  Al  4.045571136374  6.087039971406  2.036406300384  0.005546390209  -0.025908414797  -0.020362242046  -0.001769155188  0.004809304420  0.004556585143
  26  Al  6.068741878204  4.058943292302  2.016675911940  -0.003992082025  0.012826930332  0.012223030932  -0.002503483528  0.003581985200  -0.003325818733
  27  Al  6.070169997433  6.080449965564  0.010960594665  0.008841020890  -0.021878873204  -0.015407001978  -0.001928221398  0.002174540933  0.004379607813
  28  Al  4.052574561724  4.055043105258  4.059194636983  -0.008278698875  -0.004266591732  -0.045733356549  0.001028099289  0.002016637493  0.003664603620
  29  Al  4.039352052608  6.078445722929  6.090952251922  0.057978148975  -0.010275171554  -0.041400653071  -0.004240643033  0.001376379673  0.006369463039
  30  Al  6.077880168302  4.039029143250  6.077201260066  -0.000799815581  0.007226267250  0.013361020128  0.001152830708  -0.004385355586  0.000886067236
  31  Al  6.085135889352  6.070468503417  4.049099712392  -0.022370003045  0.010700136911  -0.029252411892  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)
  -83.208747269084  -0.009373331515  0.001016917412
  -0.009373331515  -83.226217028838  -0.039379279432
  0.001016917412  -0.039379279432  -83.070846093034
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.086739752129  8.096152395935  8.093979755908  0.034143846111  0.002090832538  -0.029039333921  -0.004406036394  -0.001280619694  -0.002015489975
  1  Al  8.093735114866  2.016011497526  2.013058754184  0.035132783178  0.019156849035  -0.000641776659  -0.002073733708  -0.002988456353  -0.003979890904
  2  Al  2.017447606366  8.087725147474  2.018308880105  0.018775419721  -0.004247276830  0.028970229421  -0.002510828708  -0.004092019126  -0.002219114428
  3  Al  2.016947192298  2.021252019702  8.097914294995  0.011331253275  -0.006514051585  -0.051406332301  -0.002680222950  -0.001250859635  -0.000712146320
  4  Al  0.002033435513  8.090538614516  4.069236822469  0.028564057210  0.004029949174  -0.051289347385  0.000688642506  -0.003151014108  0.006393827508
  5  Al  0.001729514280  2.024830853795  6.082300041585  -0.007685271883  -0.008089654723  -0.017387619982  0.000574132624  -0.000058374111  0.002427620155
  6  Al  2.021634181714  8.097901833269  6.072196909277  -0.017823994219  0.049194212089  0.009303686442  -0.001128528320  -0.000680470478  -0.000930565695
  7  Al  2.024109073180  2.027679178393  4.057361081512  -0.005555037532  -0.021880351851  0.012766335643  -0.000299190327  0.000885862021  0.002458318984
  8  Al  8.094830003947  4.061618418767  8.083479872328  -0.002540806966  -0.033193631017  0.029190838772  -0.001722434026  0.003861389861  -0.005494413158
  9  Al  0.003767516667  6.073449890722  2.023718216276  0.003739092069  0.000020103970  0.023478883802  0.001257801187  -0.000516198453  -0.000418064221
  10  Al  2.032366178841  4.036132970434  2.022974072704  -0.012318388608  0.089203480857  0.032577681935  0.002450836326  -0.004589359977  -0.000662934296
  11  Al  2.027977638983  6.078982292375  0.013524539256  -0.028170401376  0.008467093484  0.033785029053  0.000982137778  0.001331036392  0.004520829215
  12  Al  8.093090592737  4.054368864938  4.039388663365  0.043835138277  0.008998111565  0.044413842493  -0.002285529361  0.001460278364  -0.003520807911
  13  Al  0.001064407360  6.070632365270  6.063770922833  0.001321000026  0.006414790261  0.023695943550  0.000356039917  -0.001453122102  -0.003733763937
  14  Al  2.023006692035  4.045388748063  6.079956489624  -0.027095914766  -0.035733319758  -0.024542481405  -0.000674491261  -0.001549205993  0.001643946508
  15  Al  2.036896391036  6.076860442689  4.037748852292  -0.050829789089  -0.017982109671  -0.015563852479  0.003946908299  0.000614081060  -0.004089223103
  16  Al  4.063933009448  0.014900444129  8.099302061508  -0.007143783087  0.000760973971  0.039247102403  0.004641751223  0.004967134156  -0.000216775181
  17  Al  4.033279279308  2.011984802833  2.023022919533  0.059202589918  0.021423100801  -0.006529817136  -0.005551898523  -0.004329819727  -0.000660634428
  18  Al  6.086204657415  8.087487617731  2.010097939748  -0.054839515742  -0.009449516667  0.016247827897  0.003716492938  -0.004172989454  -0.004960915701
  19  Al  6.079841345034  2.039571259737  8.081984615904  -0.047137764047  -0.044019469269  -0.004279031931  0.001598024633  0.004842062005  -0.006005110511
  20  Al  4.054358682411  0.015874288681  4.051499929280  -0.020083439367  -0.050345896665  -0.009807407336  0.001445794160  0.005273229583  0.000496710944
  21  Al  4.053199434770  2.020483421284  6.077981415346  0.008919777742  0.016406052890  0.032867824657  0.001069813330  -0.001498901232  0.001006246269
  22  Al  6.075125018590  0.001016548919  6.076639414247  0.006280422375  0.053983128824  0.020074472563  0.000045338322  0.000358345918  0.000554322506
  23  Al  6.086555532218  2.027292457740  4.045702293354  -0.036139568532  -0.004042675507  0.059337279982  0.003840147445  0.000763456738  -0.001410911776
  24  Al  4.052746432366  4.048498869880  0.016221292300  0.023257518911  -0.016182533869  -0.044825507033  0.000923997442  -0.000505446055  0.005391387436
  25  Al  4.044686806702  6.089443465519  2.038683682770  0.008958643748  -0.028606514129  -0.026383576775  -0.001767858449  0.004804430824  0.004552406101
  26  Al  6.067489957995  4.060734858262  2.015013548939  -0.006468685734  0.015368560853  0.013062488134  -0.002504418713  0.003584505857  -0.003323558226
  27  Al  6.069206281924  6.081536258052  0.013149709884  0.008463703746  -0.024189610552  -0.020321581982  -0.001926674368  0.002170422444  0.004376413703
  28  Al  4.053088241313  4.056051233289  4.061024894528  -0.007925344806  -0.004722199574  -0.052858686593  0.001026650660  0.002015833902  0.003655789563
  29  Al  4.037234322694  6.079133453469  6.094135132847  0.071537719802  -0.010250014365  -0.047492229308  -0.004229064408  0.001374544736  0.006361516080
  30  Al  6.078456547904  4.036836788469  6.077644890917  -0.002909207613  0.008823406878  0.017160832733  0.001152499124  -0.004383920757  0.000888795867
  31  Al  6.087159128419  6.069564909784  4.048914321512  -0.028796052742  0.015108178843  -0.033811717258  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)
  -83.161897941285  -0.012594524215  0.001506215092
  -0.012594524215  -83.184933663461  -0.053659492773
  0.001506215092  -0.053659492773  -82.972938881976
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.084538260150  8.095512179547  8.092970712872  0.042386003013  0.002247294076  -0.032955759221  -0.004399194680  -0.001280231869  -0.002021032292
  1  Al  8.092699818434  2.014518125653  2.011068780045  0.043406530193  0.024071053629  0.001157971313  -0.002066712350  -0.002984591810  -0.003979844756
  2  Al  2.016193031267  8.085678948059  2.017200617850  0.019656232261  -0.004839750013  0.035464114608  -0.002507392946  -0.004092831499  -0.002213354044
  3  Al  2.015607587326  2.020626298708  8.097555923991  0.010600644930  -0.005945477930  -0.058863422250  -0.002678262254  -0.001251973508  -0.000722004357
  4  Al  0.002379033569  8.088963287599  4.072431443608  0.035593333364  0.004304360820  -0.060803729077  0.000694378130  -0.003150269027  0.006383806468
  5  Al  0.002016237063  2.024801305135  6.083513074442  -0.006394591553  -0.008039428235  -0.022238153288  0.000572873895  -0.000059816039  0.002424077639
  6  Al  2.021069120828  8.097563796994  6.071732042301  -0.022822178980  0.056992346024  0.009077133076  -0.001132162058  -0.000670977476  -0.000928922463
  7  Al  2.023959229709  2.028121131359  4.058590811654  -0.008611553400  -0.023850787604  0.014052466978  -0.000300456810  0.000881773690  0.002460716566
  8  Al  8.093968673360  4.063547629954  8.080733970569  -0.000512224666  -0.038453121928  0.034693818790  -0.001722706965  0.003854984693  -0.005488701916
  9  Al  0.004396584397  6.073191792394  2.023510233663  0.006259078167  -0.001493066906  0.029228524596  0.001258695016  -0.000516330135  -0.000413352217
  10  Al  2.033591046377  4.033842277809  2.022644061767  -0.016672323228  0.104117397120  0.040092344846  0.002448244577  -0.004572077230  -0.000656437648
  11  Al  2.028467448665  6.079648189046  0.015786464043  -0.034802233715  0.007900240817  0.040026714212  0.000976508069  0.001332499620  0.004527427932
  12  Al  8.091949787472  4.055099406332  4.037630244692  0.053399009677  0.010406724057  0.050817528068  -0.002276836698  0.001462013142  -0.003512294295
  13  Al  0.001242486367  6.069906090958  6.061905100065  0.003530758871  0.005774290960  0.025569415749  0.000356473661  -0.001452032406  -0.003729359650
  14  Al  2.022668235227  4.044612547800  6.080777365838  -0.033671845330  -0.041199924317  -0.030477836015  -0.000679923855  -0.001556083770  0.001639027731
  15  Al  2.038867573112  6.077166679425  4.035703545042  -0.061485988831  -0.022561448425  -0.018392725163  0.003936867349  0.000610456495  -0.004092258797
  16  Al  4.066253565735  0.017384045222  8.099195428249  -0.010235336155  0.000231850080  0.046681769632  0.004640197542  0.004967222913  -0.000209093202
  17  Al  4.030505976381  2.009820850575  2.022692310438  0.066510078388  0.026700836142  -0.005628335808  -0.005540659901  -0.004325517481  -0.000661721359
  18  Al  6.088060452577  8.085400700614  2.007618208169  -0.061836144747  -0.011245982059  0.021242262091  0.003706062218  -0.004174839616  -0.004957564114
  19  Al  6.080638250309  2.041990323085  8.078981869378  -0.052722826658  -0.050127276498  -0.003841894953  0.001589097168  0.004833645354  -0.006005836516
  20  Al  4.055080681768  0.018508653029  4.051747846365  -0.025828691077  -0.058998276603  -0.012269483715  0.001441689649  0.005263454292  0.000494737286
  21  Al  4.053734740145  2.019734704013  6.078486007660  0.008391880896  0.020894031772  0.036347364532  0.001071360979  -0.001495566631  0.001012434057
  22  Al  6.075147968483  0.001198134904  6.076917472822  0.009256686150  0.062713853746  0.021482858468  0.000046727328  0.000368778544  0.000558037701
  23  Al  6.088473990515  2.027674005403  4.044999489821  -0.040075486984  -0.003104889139  0.068237441157  0.003833333874  0.000762817751  -0.001399506688
  24  Al  4.053209470690  4.048245423498  0.018914982334  0.024849313529  -0.018596765824  -0.051804837095  0.000928298158  -0.000508555300  0.005382748752
  25  Al  4.043803277926  6.091844402230  2.040958706484  0.008475631957  -0.034900847707  -0.029280660048  -0.001766299837  0.004798753312  0.004547429758
  26  Al  6.066237459491  4.062527798159  2.013352353714  -0.005164423862  0.018161463337  0.017830830667  -0.002505458705  0.003587503417  -0.003320796386
  27  Al  6.068243323065  6.082620388008  0.015337008368  0.011684928424  -0.029749928359  -0.023177700520  -0.001924873095  0.002165600288  0.004372524899
  28  Al  4.053601212383  4.057058939160  4.062850426545  -0.011370548270  -0.004895477731  -0.062253621163  0.001024925621  0.002014974089  0.003645498605
  29  Al  4.035122988201  6.079820267665  6.097313768002  0.080646495863  -0.013570761201  -0.056705599833  -0.004215459248  0.001372415176  0.006352200869
  30  Al  6.079032667426  4.034645222493  6.078090055934  -0.001302991566  0.010930533018  0.017278516541  0.001152122556  -0.004382154769  0.000891874721
  31  Al  6.089179793141  6.068662666811  4.048725907889  -0.031137216661  0.016126934879  -0.040587317172  0.004038545798  -0.001803044208  -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)
  -83.107579766839  -0.016227471023  0.001728107862
  -0.016227471023  -83.137139610263  -0.070024537298
  0.001728107862  -0.070024537298  -82.860214133122
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.082340557449  8.094872164066  8.091958723616  0.047340092767  0.003013172034  -0.037767302650  -0.004391173232  -0.001279761587  -0.002027354882
  1  Al  8.091668402516  2.013026905716  2.009078909428  0.048261301754  0.026917025032  0.000152341473  -0.002058517312  -0.002980033512  -0.003979727615
  2  Al  2.014940213421  8.083632315974  2.016095526061  0.023244450599  -0.004636763076  0.039156939093  -0.002503557655  -0.004093678693  -0.002206682975
  3  Al  2.014268930044  2.020000046193  8.097192290639  0.012677734788  -0.007601352582  -0.067053282234  -0.002676181184  -0.001253184585  -0.000733261219
  4  Al  0.002727813643  8.087388345489  4.075620628937  0.039313000274  0.005059814807  -0.069462647759  0.000701074703  -0.003149431876  0.006372160747
  5  Al  0.002302388175  2.024771037756  6.084724119224  -0.008325706732  -0.010335940339  -0.024343334290  0.000571557911  -0.000061458784  0.002419913288
  6  Al  2.020502019655  8.097230855793  6.071267986815  -0.025033471371  0.065367198849  0.011893401383  -0.001136440319  -0.000660038621  -0.000927047712
  7  Al  2.023808616370  2.028560952083  4.059821798078  -0.008935504287  -0.027788536170  0.016199775825  -0.000302025504  0.000877157172  0.002463421095
  8  Al  8.093107296982  4.065473403460  8.077991170413  -0.001847152802  -0.044122442012  0.039622115185  -0.001722917892  0.003847602497  -0.005482058125
  9  Al  0.005026211683  6.072933560587  2.023304864059  0.005406955796  -0.001011715816  0.032196733794  0.001259737951  -0.000516554061  -0.000407860843
  10  Al  2.034814423418  4.031560893204  2.022317635056  -0.018582378168  0.118248283028  0.045027147410  0.002445092832  -0.004552197898  -0.000648828027
  11  Al  2.028954147053  6.080314791994  0.018051967188  -0.038717751403  0.009529468638  0.045173159264  0.000969935436  0.001334057823  0.004535044739
  12  Al  8.090813756039  4.055830878080  4.035876369070  0.059883865537  0.011275283755  0.057877498574  -0.002266709291  0.001463951498  -0.003502577038
  13  Al  0.001420881021  6.069180332863  6.060041563184  0.002299614250  0.007350911613  0.030174317851  0.000356994892  -0.001450859023  -0.003724376200
  14  Al  2.022326768180  4.043832664293  6.081595517355  -0.037437932942  -0.047283418582  -0.033880375844  -0.000686281018  -0.001563994117  0.001633274153
  15  Al  2.040833258385  6.077470899184  4.033656593495  -0.069439047085  -0.025092626010  -0.020301525866  0.003925162745  0.000606196255  -0.004095718035
  16  Al  4.068573206991  0.019867667042  8.099092968306  -0.010139717676  0.000251727748  0.053240040876  0.004638376027  0.004967266145  -0.000200160264
  17  Al  4.027738619407  2.007659285352  2.022361198175  0.077053474663  0.029719881796  -0.007680477055  -0.005527825423  -0.004320473510  -0.000662911157
  18  Al  6.089910719633  8.083312778115  2.005140375634  -0.071608663840  -0.012354251178  0.023554187409  0.003694132348  -0.004176949460  -0.004953559344
  19  Al  6.081430442202  2.044404905091  8.075978779388  -0.060958402723  -0.058566299642  -0.003754696616  0.001578934148  0.004823928226  -0.006006515646
  20  Al  4.055800372059  0.021137742974  4.051994666567  -0.028274109028  -0.067268735490  -0.014056441531  0.001436852897  0.005252166112  0.000492383768
  21  Al  4.054270795749  2.018987854653  6.078993849403  0.010941990114  0.023228634166  0.042703435964  0.001073089414  -0.001491622096  0.001019501142
  22  Al  6.075171745917  0.001385327463  6.077197451948  0.009615446404  0.071858999884  0.025615456672  0.000048414483  0.000380809260  0.000562248257
  23  Al  6.090388866092  2.028055275491  4.044302786666  -0.046695787970  -0.004339759198  0.077812718906  0.003825576585  0.000762152205  -0.001386449909
  24  Al  4.053674730524  4.047990314580  0.021604041053  0.029652533072  -0.021842616699  -0.059652144527  0.000933170584  -0.000512170551  0.005372784579
  25  Al  4.042920506865  6.094242218831  2.043231112528  0.011561028972  -0.038723538883  -0.034851552445  -0.001764508574  0.004792171345  0.004541696384
  26  Al  6.064984499291  4.064322361678  2.011692752553  -0.006254849996  0.020229022799  0.019816746310  -0.002506479580  0.003590935499  -0.003317430719
  27  Al  6.067281408829  6.083701858340  0.017522234783  0.012283332681  -0.033070706378  -0.026956451989  -0.001922730349  0.002159984169  0.004368042942
  28  Al  4.054113166934  4.058066207378  4.064670393133  -0.011657691563  -0.005450016948  -0.070535362509  0.001022866913  0.002014049209  0.003633627365
  29  Al  4.033018863446  6.080505868644  6.100487333716  0.092894288045  -0.014606538985  -0.063107673031  -0.004199944827  0.001369896145  0.006341489648
  30  Al  6.079608670461  4.032454633700  6.078536765638  -0.002336542899  0.012622428950  0.019765106399  0.001151797185  -0.004380049151  0.000895186394
  31  Al  6.091197674217  6.067761865575  4.048533865789  -0.036184399229  0.019423404892  -0.046577854045  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)
  -83.047125724425  -0.020301298454  0.002356357253
  -0.020301298454  -83.083088106992  -0.088452460815
  0.002356357253  -0.088452460815  -82.732197873171
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.080147086918  8.094232417960  8.090943357990  0.055090890327  0.003343630669  -0.041906841982  -0.004382015976  -0.001279193294  -0.002034477694
  1  Al  8.090641301123  2.011538092141  2.007089052430  0.055831479487  0.031287857724  0.001551008567  -0.002049211492  -0.002974830037  -0.003979575337
  2  Al  2.013689473612  8.081585269366  2.014993934874  0.024679396944  -0.004788554843  0.044964601439  -0.002499273298  -0.004094521310  -0.002199162570
  3  Al  2.012931406142  2.019373114123  8.096822662771  0.012522235631  -0.007563452224  -0.074551684147  -0.002673928324  -0.001254540308  -0.000745920602
  4  Al  0.003080108271  8.085813855723  4.078803604355  0.045664513971  0.005703419153  -0.079044214065  0.000708671631  -0.003148469651  0.006358884341
  5  Al  0.002587794974  2.024739846351  6.085932987730  -0.007677302373  -0.010898840101  -0.028737583455  0.000570127253  -0.000063357158  0.002415167892
  6  Al  2.019932680509  8.096903758373  6.070804994589  -0.029367280726  0.073341582659  0.012577030729  -0.001141303707  -0.000647638155  -0.000924860073
  7  Al  2.023657204204  2.028998288531  4.061054232749  -0.011516053270  -0.030191297885  0.017691128069  -0.000303853859  0.000871973816  0.002466450917
  8  Al  8.092245755469  4.067395232451  8.075251912445  -0.000525973980  -0.049323594967  0.045145194363  -0.001723130048  0.003839248488  -0.005474479988
  9  Al  0.005656322348  6.072675238333  2.023102372820  0.007255339965  -0.002132776962  0.037086428707  0.001260869951  -0.000516835176  -0.000401666978
  10  Al  2.036036139209  4.029290079910  2.021995233740  -0.022540253038  0.133001518426  0.051911816241  0.002441416499  -0.004529736347  -0.000640161753
  11  Al  2.029437384101  6.080982246870  0.020321508782  -0.044700236734  0.009328142387  0.051212182932  0.000962477928  0.001335743680  0.004543661520
  12  Al  8.089683078181  4.056563357830  4.034127667654  0.068853926903  0.011995274178  0.064287816236  -0.002255200225  0.001466031869  -0.003491655547
  13  Al  0.001599481259  6.068455231935  6.058180723865  0.003495982983  0.007324427226  0.032876318349  0.000357513015  -0.001449547058  -0.003718739518
  14  Al  2.021981954209  4.043048553683  6.082410639991  -0.043082449688  -0.053089570585  -0.039330220349  -0.000693479482  -0.001572967390  0.001626729179
  15  Al  2.042792735857  6.077772875681  4.031607827006  -0.079329966922  -0.029128949660  -0.022822221367  0.003911862902  0.000601348886  -0.004099573267
  16  Al  4.070891941762  0.022351311367  8.098995267985  -0.012603595865  -0.000255979349  0.060624251062  0.004636342791  0.004967265765  -0.000189980878
  17  Al  4.024978150958  2.005500377065  2.022029399282  0.084862675566  0.034510540663  -0.007468527959  -0.005513350235  -0.004314731356  -0.000664265467
  18  Al  6.091754584925  8.081223751154  2.002664648825  -0.079171782201  -0.013831011469  0.028197683321  0.003680652685  -0.004179290404  -0.004948932764
  19  Al  6.082217184457  2.046814251311  8.072975353732  -0.066943415742  -0.065377510409  -0.003221505863  0.001567499817  0.004812847739  -0.006007139313
  20  Al  4.056517534665  0.023760819141  4.052240230132  -0.033441300523  -0.075924295606  -0.016500449588  0.001431335584  0.005239364758  0.000489652003
  21  Al  4.054807829559  2.018243081917  6.079505508802  0.011012732816  0.027433695982  0.046766543971  0.001075052150  -0.001487092921  0.001027499693
  22  Al  6.075196382966  0.001578944165  6.077479721078  0.012039335673  0.080694529150  0.027549191216  0.000050350405  0.000394447436  0.000567001138
  23  Al  6.092299567100  2.028436157607  4.043613039913  -0.051034807249  -0.003842144212  0.086858672288  0.003816839540  0.000761420748  -0.001371728405
  24  Al  4.054142641274  4.047733252947  0.024287766912  0.031779972837  -0.024468093407  -0.066895668467  0.000938662606  -0.000516310695  0.005361471295
  25  Al  4.042038769352  6.096636573575  2.045500402869  0.011810088294  -0.044322289775  -0.038607143032  -0.001762419213  0.004784747107  0.004535129230
  26  Al  6.063730979911  4.066118733658  2.010034922995  -0.005321615989  0.022623858074  0.024146491249  -0.002507514507  0.003594766515  -0.003313500437
  27  Al  6.066320592715  6.084780372176  0.019705051310  0.014902974914  -0.038188598260  -0.030229712047  -0.001920299913  0.002153613638  0.004362930540
  28  Al  4.054624079296  4.059072988369  4.066484053911  -0.014452354708  -0.005627912634  -0.079381592962  0.001020532693  0.002013058850  0.003620224898
  29  Al  4.030923043374  6.081190163810  6.103655257650  0.102427173161  -0.017492334753  -0.071510374826  -0.004182483229  0.001367026529  0.006329454892
  30  Al  6.080184464610  4.030265173342  6.078985242328  -0.001341415230  0.014661424589  0.019972112342  0.001151468378  -0.004377609994  0.000898738873
  31  Al  6.093212320435  6.066862800778  4.048337659662  -0.039178915234  0.021197306219  -0.053210730973  0.004025789868  -0.001796234571  -0.000397169254


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)
  -82.978972790470  -0.024658576476  0.002856920187
  -0.024658576476  -83.022843373482  -0.108781528262
  0.002856920187  -0.108781528262  -82.589794659277
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.077958541473  8.093592970773  8.089924245922  0.059074032309  0.005177867827  -0.047245235184  -0.004371809714  -0.001278431478  -0.002042447825
  1  Al  8.089619191024  2.010052075679  2.005099334091  0.059282410721  0.033587738443  -0.000026600636  -0.002038920393  -0.002969030206  -0.003979439056
  2  Al  2.012440940123  8.079537794665  2.013896363491  0.030403360417  -0.003287356861  0.048237296389  -0.002494348939  -0.004095243290  -0.002190830388
  3  Al  2.011595001719  2.018745505886  8.096446370037  0.016636789930  -0.009735121131  -0.083138558607  -0.002671321528  -0.001256086788  -0.000760017996
  4  Al  0.003436485274  8.084239875838  4.081979513278  0.048308686298  0.007358944732  -0.087188578146  0.000717072768  -0.003147301885  0.006344023249
  5  Al  0.002872515428  2.024707680598  6.087139287116  -0.010640241665  -0.013918827639  -0.030494958854  0.000568489678  -0.000065575840  0.002409872545
  6  Al  2.019360715948  8.096583217638  6.070343126741  -0.029307533304  0.082648706372  0.015871683142  -0.001146549193  -0.000633692736  -0.000922316779
  7  Al  2.023504762511  2.029432925899  4.062288248995  -0.009413861254  -0.034724416911  0.020484903359  -0.000305724978  0.000866170398  0.002469863827
  8  Al  8.091384166934  4.069312651948  8.072516690425  -0.003119134614  -0.055947836410  0.049564001850  -0.001723455918  0.003829837298  -0.005466013054
  9  Al  0.006287081635  6.072416725410  2.022903197081  0.005121538601  -0.001073104239  0.039643503580  0.001261976435  -0.000517121780  -0.000394807377
  10  Al  2.037255839917  4.027031156857  2.021677473303  -0.022330996289  0.145935952388  0.056462411201  0.002437405041  -0.004504799538  -0.000630473175
  11  Al  2.029916624980  6.081650535674  0.022595628708  -0.046309878000  0.011328082852  0.055550008247  0.000954341689  0.001337590332  0.004553205983
  12  Al  8.088558555814  4.057296909949  4.032384713523  0.074072785099  0.011837691152  0.071957979414  -0.002242422680  0.001468162519  -0.003479475271
  13  Al  0.001778394035  6.067730785805  6.056322823665  0.000750000412  0.009397801081  0.037744906556  0.000357892602  -0.001448052103  -0.003712426032
  14  Al  2.021633288698  4.042259696904  6.083222246534  -0.044390079391  -0.060137441701  -0.042394175735  -0.000701299463  -0.001583089803  0.001619423077
  15  Al  2.044745121287  6.078072248070  4.029557020228  -0.085129606343  -0.030956243057  -0.023835146854  0.003897160335  0.000595977313  -0.004103744402
  16  Al  4.073209549782  0.024834932807  8.098902987428  -0.011410080770  0.000373069855  0.066604230927  0.004634195986  0.004967276233  -0.000178606743
  17  Al  4.022225269172  2.003344553996  2.021696932707  0.096573530755  0.036987541523  -0.009686190514  -0.005497129969  -0.004308339479  -0.000665799087
  18  Al  6.093591372317  8.079133487711  2.000191442870  -0.091201503660  -0.013671852690  0.030546532454  0.003665421436  -0.004181749140  -0.004943681073
  19  Al  6.082997942019  2.049217752829  8.069971640075  -0.077013811956  -0.074423318303  -0.003165237425  0.001554630144  0.004800349645  -0.006007710284
  20  Al  4.057231707643  0.026377107732  4.052484318570  -0.034824429760  -0.083279070170  -0.017851839447  0.001425232677  0.005225132092  0.000486580934
  21  Al  4.055345847899  2.017500761733  6.080021349096  0.014576265324  0.029460465910  0.053326218613  0.001077339788  -0.001482006623  0.001036447914
  22  Al  6.075222096322  0.001779774899  6.077764453086  0.010178528309  0.090540560387  0.031905503224  0.000052336666  0.000409755730  0.000572316345
  23  Al  6.094205705632  2.028816696239  4.042931058262  -0.059965879031  -0.005610343179  0.096685598196  0.003806916158  0.000760575703  -0.001355319679
  24  Al  4.054613393130  4.047474003884  0.026965512348  0.037690175461  -0.028697936797  -0.075634853821  0.000944873187  -0.000521063700  0.005348729169
  25  Al  4.041158087652  6.099026965938  2.047766241758  0.016367324289  -0.047380012527  -0.044630765699  -0.001759900172  0.004776548988  0.004527687821
  26  Al  6.062476984784  4.067917128194  2.008379252116  -0.008379248101  0.023465324027  0.026023597429  -0.002508739355  0.003598886855  -0.003309015268
  27  Al  6.065361108916  6.085855471978  0.021885165323  0.013105483226  -0.041132194849  -0.035055029610  -0.001917795977  0.002146522416  0.004357094131
  28  Al  4.055133699627  4.060079266228  4.068290618031  -0.013452260825  -0.007020342597  -0.086821919815  0.001018038041  0.002011928105  0.003605366423
  29  Al  4.028836380217  6.081872895174  6.106816788608  0.115830838609  -0.018016434866  -0.077221521254  -0.004162971120  0.001363852071  0.006316158367
  30  Al  6.080760138838  4.028077023705  6.079435504510  -0.004606785468  0.015825560885  0.022355543219  0.001150936613  -0.004374884480  0.000902522934
  31  Al  6.095223464085  6.065965631004  4.048136696535  -0.046476419329  0.025086546494  -0.058573306196  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)
  -82.904717014686  -0.029711548407  0.003497666939
  -0.029711548407  -82.956071683881  -0.131566422692
  0.003497666939  -0.131566422692  -82.431985420864
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.075775277204  8.092953986483  8.088900910165  0.066084388089  0.005048882855  -0.051881411429  -0.004360620641  -0.001277517214  -0.002051309676
  1  Al  8.088602380730  2.008569061936  2.003109613374  0.065933231329  0.037798591048  0.000720152039  -0.002027726205  -0.002962648319  -0.003979377053
  2  Al  2.011195124673  8.077490026076  2.012803104486  0.031501638349  -0.003703935740  0.053306445972  -0.002488814677  -0.004095868307  -0.002181752450
  3  Al  2.010260084614  2.018117027335  8.096062644776  0.016001881607  -0.010044091665  -0.091049022151  -0.002668403655  -0.001257855035  -0.000775590240
  4  Al  0.003797181039  8.082666553838  4.085147627604  0.053799823713  0.007189690717  -0.096053499149  0.000726201195  -0.003146001247  0.006327641539
  5  Al  0.003156284652  2.024674270512  6.088342860275  -0.010553756624  -0.014989176624  -0.034388152668  0.000566594950  -0.000068160194  0.002404072042
  6  Al  2.018786131315  8.096270065637  6.069882677811  -0.033709608849  0.089888690733  0.017225049474  -0.001152182881  -0.000618268017  -0.000919357955
  7  Al  2.023351479226  2.029864458929  4.063524096576  -0.012173724970  -0.037155972711  0.022626321104  -0.000307654893  0.000859744343  0.002473717939
  8  Al  8.090522299551  4.071225069749  8.069785899391  -0.002467002689  -0.060567905299  0.054487776679  -0.001723955314  0.003819420874  -0.005456710900
  9  Al  0.006918298783  6.072158116553  2.022707565443  0.005898589659  -0.001899859859  0.044086156530  0.001262961627  -0.000517387561  -0.000387322006
  10  Al  2.038473544250  4.024785280373  2.021364760565  -0.026781138353  0.160928887501  0.063120158982  0.002433014452  -0.004477366042  -0.000619782580
  11  Al  2.030391725790  6.082319837201  0.024874714765  -0.052327089401  0.011301146698  0.060567320086  0.000945523615  0.001339613369  0.004563586788
  12  Al  8.087440655501  4.058031520349  4.030648192383  0.082435835155  0.013147519257  0.078823665184  -0.002228430922  0.001470396179  -0.003465995500
  13  Al  0.001957373861  6.067007179832  6.054468297833  0.000977888450  0.009651341742  0.040676752423  0.000358047074  -0.001446349123  -0.003705415192
  14  Al  2.021280654745  4.041465463880  6.084030063068  -0.050250521941  -0.065197597514  -0.047476727951  -0.000709760265  -0.001594294665  0.001611388682
  15  Al  2.046689896192  6.078368852993  4.027504082604  -0.095492463749  -0.034833982418  -0.025273001414  0.003881012852  0.000590095714  -0.004108134635
  16  Al  4.075526137748  0.027318587599  8.098816661242  -0.012873994684  -0.001033487494  0.073188851963  0.004632025007  0.004967217192  -0.000166109342
  17  Al  4.019481020989  2.001192037586  2.021363600195  0.105019341835  0.041336656722  -0.009997698886  -0.005479107711  -0.004301337352  -0.000667558812
  18  Al  6.095420006361  8.077042002014  1.997720967752  -0.098541245241  -0.015466365595  0.034812064172  0.003648458571  -0.004184354076  -0.004937838062
  19  Al  6.083771814601  2.051614600957  8.066967643448  -0.082603692049  -0.081959998014  -0.002660409658  0.001540360455  0.004786369089  -0.006008231092
  20  Al  4.057942767342  0.028985951233  4.052726811066  -0.039147388954  -0.092490350032  -0.019663990872  0.001418619649  0.005209418432  0.000483227045
  21  Al  4.055885169347  2.016761075293  6.080541956716  0.015410033964  0.033326544327  0.057889767243  0.001080020542  -0.001476393510  0.001046390544
  22  Al  6.075248719632  0.001988699894  6.078052037423  0.012683610294  0.098531581279  0.034406656634  0.000054380525  0.000426658643  0.000578244604
  23  Al  6.096106483258  2.029196733310  4.042257720234  -0.064050491147  -0.005531273795  0.105990068957  0.003795829184  0.000759579650  -0.001337200620
  24  Al  4.055087514461  4.047212189247  0.029636496081  0.040476715987  -0.030840327032  -0.083762034656  0.000951861251  -0.000526386378  0.005334479202
  25  Al  4.040278869180  6.101413122563  2.050028090689  0.017782811775  -0.052429716216  -0.049042902795  -0.001756847175  0.004767626070  0.004519313462
  26  Al  6.061222240557  4.069717620513  2.006725907727  -0.006774370993  0.026302763511  0.030218586814  -0.002510094077  0.003603336086  -0.003303987257
  27  Al  6.064402796738  6.086926894592  0.024062145441  0.015767396105  -0.045673698023  -0.039265863559  -0.001915214763  0.002138762032  0.004350449897
  28  Al  4.055642117336  4.061084916474  4.070089420334  -0.015616253190  -0.006403873335  -0.094791778127  0.001015439336  0.002010727990  0.003589130289
  29  Al  4.026760072254  6.082554015881  6.109971416017  0.125859375357  -0.020362143377  -0.084684334453  -0.004141364189  0.001360421054  0.006301684100
  30  Al  6.081335401223  4.025890288862  6.079887765262  -0.003329006284  0.018865901273  0.022475790562  0.001150227159  -0.004371783088  0.000906530823
  31  Al  6.097230452778  6.065070703949  4.047930496995  -0.048940812550  0.027265557080  -0.064630757051  0.004009602111  -0.001787416588  -0.000418177022


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)
  -82.823357933393  -0.034805450796  0.004120613013
  -0.034805450796  -82.883150798029  -0.155863224787
  0.004120613013  -0.155863224787  -82.259990732993
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.073597920832  8.092315453559  8.087872936246  0.071567203749  0.005825469729  -0.057345889799  -0.004348314688  -0.001276545054  -0.002061074518
  1  Al  8.087591464819  2.007089427360  2.001119957038  0.070862069534  0.040900591588  0.000177584773  -0.002015496803  -0.002955612669  -0.003979296796
  2  Al  2.009952125446  8.075441926358  2.011714611040  0.035304259333  -0.002928567027  0.057333245952  -0.002482842278  -0.004096461248  -0.002171861341
  3  Al  2.008926598065  2.017487650850  8.095670779797  0.018130325036  -0.011422263461  -0.099602683387  -0.002665352260  -0.001259774112  -0.000792634365
  4  Al  0.004162686470  8.081093874591  4.088307154817  0.057738037962  0.007857434313  -0.104185044844  0.000736172600  -0.003144656045  0.006309740357
  5  Al  0.003439110377  2.024639520404  6.089543359158  -0.012040670461  -0.017222589243  -0.037142769771  0.000564575024  -0.000071039903  0.002397677229
  6  Al  2.018208533068  8.095964949621  6.069423768787  -0.035315864833  0.097912602652  0.019804479018  -0.001158353708  -0.000601478716  -0.000916047541
  7  Al  2.023197107619  2.030292670242  4.064761966934  -0.012031306298  -0.040750924179  0.025570131231  -0.000309818805  0.000852779522  0.002478026668
  8  Al  8.089660211620  4.073132072822  8.067059979525  -0.003633618977  -0.066002964483  0.058698607406  -0.001724500706  0.003808105530  -0.005446592119
  9  Al  0.007550043262  6.071899337849  2.022515875075  0.004995219529  -0.001671088704  0.047349022532  0.001263935526  -0.000517706801  -0.000379147767
  10  Al  2.039688854369  4.022553790815  2.021057690723  -0.028608410923  0.174813775750  0.068622080765  0.002428062666  -0.004447350889  -0.000608004918
  11  Al  2.030862148595  6.082990149043  0.027159215496  -0.055606971948  0.012283060017  0.064459261134  0.000935874387  0.001341721780  0.004574764075
  12  Al  8.086330124893  4.058767306128  4.028918718023  0.089081647449  0.013599716375  0.086512436447  -0.002213097382  0.001472787362  -0.003451214572
  13  Al  0.002136441110  6.066284436682  6.052617408473  -0.000596984106  0.010934981588  0.044727671447  0.000358081127  -0.001444508721  -0.003697780098
  14  Al  2.020923528433  4.040665402238  6.084833635216  -0.053120789603  -0.071044792607  -0.051507445622  -0.000719001586  -0.001606474637  0.001602539569
  15  Al  2.048626134139  6.078662343784  4.025448885592  -0.103034088624  -0.037498260331  -0.025659369343  0.003863264721  0.000583629263  -0.004112687953
  16  Al  4.077841574789  0.029802149999  8.098736878086  -0.012904804688  -0.001708924652  0.078996605084  0.004629720401  0.004966972022  -0.000152504072
  17  Al  4.016746161460  1.999043216644  2.021029373895  0.115166708908  0.044636605667  -0.011345198516  -0.005459423237  -0.004293651404  -0.000669466852
  18  Al  6.097239830888  8.074949133635  1.995253604808  -0.108647230478  -0.016259318897  0.038216697196  0.003629936070  -0.004187190329  -0.004931309343
  19  Al  6.084538302473  2.054004121919  8.063963408982  -0.090737638484  -0.090450713948  -0.002547836220  0.001524863864  0.004770955696  -0.006008696706
  20  Al  4.058650327293  0.031586526164  4.052967545615  -0.041955855230  -0.100937860912  -0.020791274715  0.001411369078  0.005192126089  0.000479610374
  21  Al  4.056425868440  2.016024368223  6.081067739640  0.017636381018  0.036308935992  0.063510636530  0.001082974867  -0.001470168148  0.001057243652
  22  Al  6.075276476847  0.002206433542  6.078342697690  0.012570372279  0.107234759831  0.037862692496  0.000056638212  0.000445054006  0.000584705432
  23  Al  6.098001534816  2.029576275889  4.041593857641  -0.071008165700  -0.006409559079  0.115944795098  0.003783755037  0.000758512148  -0.001317359803
  24  Al  4.055565254381  4.046947617506  0.032299991550  0.044939556428  -0.033914521555  -0.092890563884  0.000959497404  -0.000532175415  0.005318686587
  25  Al  4.039401240478  6.103794592008  2.052285555220  0.021101365206  -0.056221952102  -0.054510686144  -0.001753370957  0.004757912689  0.004510055846
  26  Al  6.059966890706  4.071520464280  2.005075264859  -0.007797266269  0.028073601116  0.033288418437  -0.002511396771  0.003608197294  -0.003298309776
  27  Al  6.063445894154  6.087994234010  0.026235615219  0.015660713478  -0.049393628716  -0.044522296783  -0.001912405112  0.002130263081  0.004342959295
  28  Al  4.056149138964  4.062089994218  4.071879748320  -0.016010015560  -0.006573340480  -0.101670542338  0.001012611971  0.002009567836  0.003571566699
  29  Al  4.024695016028  6.083233316227  6.113118472708  0.137392207923  -0.021761971696  -0.090937014753  -0.004117829687  0.001356655188  0.006285983678
  30  Al  6.081910365997  4.023705240617  6.080342035334  -0.004826358252  0.021283093425  0.023423555558  0.001149498075  -0.004368193797  0.000910634192
  31  Al  6.099233066196  6.064178214416  4.047718519513  -0.054270027397  0.030508614029  -0.069839304983  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)
  -82.736095152839  -0.040404827506  0.004916557183
  -0.040404827506  -82.803729692161  -0.182567750785
  0.004916557183  -0.182567750785  -82.072880687413
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.071426962516  8.091677441428  8.086839835647  0.080236949025  0.005876154348  -0.060764102915  -0.004334743506  -0.001275498937  -0.002071633467
  1  Al  8.086586883927  2.005613449267  1.999130316578  0.079089239524  0.045226386278  0.001409247737  -0.002002091264  -0.002947912979  -0.003979154934
  2  Al  2.008712282395  8.073393564828  2.010631243145  0.035417450866  -0.002612446327  0.062686320264  -0.002476519808  -0.004096956610  -0.002161131679
  3  Al  2.007594732354  2.016857253223  8.095270010410  0.016417615559  -0.011703046871  -0.105878513025  -0.002662263699  -0.001261841498  -0.000811004236
  4  Al  0.004533353639  8.079521897793  4.091457367961  0.064606061489  0.008026488279  -0.114497940504  0.000747110074  -0.003143236034  0.006290190256
  5  Al  0.003720859676  2.024603230608  6.090740537503  -0.010342901905  -0.018294163365  -0.041454714014  0.000562573949  -0.000074215075  0.002390650670
  6  Al  2.017627777607  8.095668586921  6.068966630269  -0.040498972028  0.105150320074  0.020977493182  -0.001165131500  -0.000583325037  -0.000912401662
  7  Al  2.023041660421  2.030717238452  4.066002123244  -0.015744777793  -0.043090583437  0.026315024059  -0.000312301967  0.000845284152  0.002482665163
  8  Al  8.088797798845  4.075033175279  8.064339307272  -0.001411501461  -0.070716752689  0.064960108047  -0.001724951736  0.003795882885  -0.005435537119
  9  Al  0.008182234309  6.071640409752  2.022328417676  0.007129977455  -0.002639751556  0.051928850248  0.001265019510  -0.000518092187  -0.000370272396
  10  Al  2.040901606916  4.020337929484  2.020756755646  -0.034290502373  0.189269973925  0.075624286434  0.002422439548  -0.004414802064  -0.000595109397
  11  Al  2.031327600177  6.083661558981  0.029449478840  -0.062625787334  0.012030068063  0.070350199840  0.000925304464  0.001343895356  0.004586815944
  12  Al  8.085227558119  4.059504307711  4.027196977811  0.099012200907  0.014289603112  0.091948907090  -0.002196281927  0.001475280648  -0.003435260256
  13  Al  0.002315454988  6.065562671111  6.050770517735  0.000944481245  0.011195943618  0.047469845915  0.000358112193  -0.001442530232  -0.003689537706
  14  Al  2.020561653160  4.039858989243  6.085632602636  -0.059769326864  -0.076166450010  -0.057054541344  -0.000729093881  -0.001619635216  0.001592834205
  15  Al  2.050553160913  6.078952482257  4.023391394651  -0.114207629957  -0.041397802096  -0.027855297385  0.003843843468  0.000576576012  -0.004117472125
  16  Al  4.080155858149  0.032285559622  8.098664157170  -0.015889125578  -0.003049490492  0.086816157265  0.004627146244  0.004966546623  -0.000137680530
  17  Al  4.014021597752  1.996898386182  2.020694133343  0.121738460059  0.049091294065  -0.011294342539  -0.005438244085  -0.004285272198  -0.000671490810
  18  Al  6.099049942431  8.072854811685  1.992789658409  -0.114830734863  -0.017659192928  0.043160648782  0.003609957301  -0.004190222620  -0.004924034267
  19  Al  6.085296678466  2.056385556652  8.060958946742  -0.095109117198  -0.098110146272  -0.000372124951  0.001508249298  0.004754098491  -0.006008957748
  20  Al  4.059354136420  0.034178077323  4.053206421440  -0.047951396537  -0.110012480680  -0.023795694592  0.001403331434  0.005173267281  0.000475624331
  21  Al  4.056968144214  2.015290907145  6.081599200369  0.016825302001  0.040273199591  0.067584714107  0.001086055717  -0.001463321760  0.001068963482
  22  Al  6.075305357844  0.002433753901  6.078636742855  0.016039849424  0.115200462006  0.039866168409  0.000059195946  0.000464939555  0.000591654336
  23  Al  6.099890238296  2.029955245459  4.040940360430  -0.073935685719  -0.006233139326  0.123803876377  0.003770797161  0.000757381900  -0.001295926444
  24  Al  4.056047011865  4.046680013832  0.034955182668  0.046152940473  -0.036283627734  -0.099834205390  0.000967641008  -0.000538451079  0.005301457131
  25  Al  4.038525498222  6.106171035251  2.054538146535  0.021185259484  -0.061219448413  -0.058747475203  -0.001749590563  0.004747413512  0.004499930648
  26  Al  6.058710843786  4.073325817807  2.003427597951  -0.004973943261  0.030429972256  0.038114253187  -0.002512538508  0.003613427471  -0.003291926429
  27  Al  6.062490391626  6.089057157673  0.028405104736  0.019268628135  -0.054045558594  -0.047845214528  -0.001909282454  0.002121015692  0.004334701706
  28  Al  4.056654729307  4.063094484310  4.073660987033  -0.019673057094  -0.006032670015  -0.110627740542  0.001009421930  0.002008440868  0.003552587385
  29  Al  4.022642242567  6.083910671069  6.116257399695  0.145510506382  -0.024127766108  -0.098571885934  -0.004092538388  0.001352552678  0.006269041719
  30  Al  6.082484899298  4.021522095066  6.080798399454  -0.002569176004  0.024448424450  0.022673125038  0.001148836920  -0.004364105432  0.000914755202
  31  Al  6.101230827914  6.063288452331  4.047500298447  -0.055751286062  0.032886226848  -0.077095433113  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)
  -82.640938628580  -0.046174532339  0.005825618315
  -0.046174532339  -82.718234178926  -0.210532636438
  0.005825618315  -0.210532636438  -81.872144191179
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.069263177326  8.091039954622  8.085801302780  0.084322620473  0.007788274685  -0.065506191230  -0.004320031999  -0.001274277347  -0.002082921940
  1  Al  8.085589373555  2.004141514380  1.997140802104  0.082389552142  0.048811194578  0.000376400010  -0.001987655176  -0.002939506087  -0.003978995299
  2  Al  2.007475605639  8.071344969747  2.009553479362  0.041109195360  -0.000360830253  0.066288036471  -0.002469678380  -0.004097222419  -0.002149601464
  3  Al  2.006264334366  2.016225809352  8.094859775560  0.020365458035  -0.012604429003  -0.113572738611  -0.002658975319  -0.001264014569  -0.000830623020
  4  Al  0.004909796544  8.077950638557  4.094597345072  0.067131150016  0.009810707983  -0.123301910392  0.000758887286  -0.003141641402  0.006268931120
  5  Al  0.004001684326  2.024565305328  6.091934009828  -0.013080252283  -0.020303098627  -0.043835121879  0.000560479936  -0.000077665643  0.002383025820
  6  Al  2.017043401567  8.095381624584  6.068511367124  -0.039941721052  0.114153904063  0.024128127318  -0.001172322840  -0.000563719397  -0.000908369252
  7  Al  2.022884805652  2.031137954394  4.067244632097  -0.013506109342  -0.046301575486  0.028542455266  -0.000314916975  0.000837292557  0.002487569382
  8  Al  8.087935259884  4.076927955708  8.061624442406  -0.004031140807  -0.077157037064  0.069731737587  -0.001725438304  0.003782663075  -0.005423495765
  9  Al  0.008815062771  6.071381245662  2.022145602679  0.004416626762  -0.002729245673  0.054671480135  0.001266051768  -0.000518572171  -0.000360742403
  10  Al  2.042111293917  4.018138988751  2.020462581326  -0.034129694539  0.201587431966  0.080746809471  0.002416322832  -0.004379859693  -0.000581129933
  11  Al  2.031787453059  6.084334044399  0.031746031440  -0.063660033638  0.012364322764  0.074305260143  0.000914014602  0.001346076197  0.004599748038
  12  Al  8.084133842965  4.060242586775  4.025483457766  0.104064589955  0.013511426377  0.099010794261  -0.002178127008  0.001477766040  -0.003418188596
  13  Al  0.002494553303  6.064841906450  6.048927870767  -0.002347186198  0.011850568012  0.051952542840  0.000357986792  -0.001440469890  -0.003680649416
  14  Al  2.020194434552  4.039045767022  6.086426469421  -0.060478764657  -0.082827020544  -0.060570856899  -0.000739843974  -0.001633849118  0.001582318579
  15  Al  2.052469977607  6.079238919796  4.021331413467  -0.119612216016  -0.044414963271  -0.028359712607  0.003822940142  0.000568904413  -0.004122497707
  16  Al  4.082468721033  0.034768696622  8.098599197555  -0.014443465811  -0.003049368433  0.093071653486  0.004624434532  0.004966001390  -0.000121598689
  17  Al  4.011307917375  1.994757944446  2.020357883085  0.133233530120  0.052971379598  -0.012956726178  -0.005415449773  -0.004276147868  -0.000673658839
  18  Al  6.100849788189  8.070758911016  1.990329570541  -0.126812675967  -0.017134783568  0.046362260230  0.003588354554  -0.004193333176  -0.004916030983
  19  Al  6.086046551771  2.058758220409  8.057954451234  -0.105010379819  -0.106368135229  0.001010527377  0.001490358759  0.004735818279  -0.006008900676
  20  Al  4.060053658727  0.036759793445  4.053443169946  -0.049371817050  -0.117440766576  -0.025492631722  0.001394630809  0.005152933124  0.000471217990
  21  Al  4.057511924157  2.014561046462  6.082136703122  0.020517542654  0.043837530951  0.073437554625  0.001089394140  -0.001455802322  0.001081570772
  22  Al  6.075335672793  0.002671373097  6.078934352026  0.013752804713  0.124684370560  0.043642101213  0.000061859388  0.000486385086  0.000599119915
  23  Al  6.101772331978  2.030333657790  4.040297931197  -0.083009731559  -0.006614910530  0.132812910785  0.003756766354  0.000756233294  -0.001272985088
  24  Al  4.056532895389  4.046409166427  0.037601448681  0.051911193037  -0.040487682852  -0.108679684287  0.000976407871  -0.000545314379  0.005282816139
  25  Al  4.037651649914  6.108542005520  2.056785485868  0.026311787628  -0.065173660506  -0.064723738429  -0.001745344362  0.004736114059  0.004488892410
  26  Al  6.057454352198  4.075133891751  2.001783338430  -0.007673545397  0.030753586249  0.041109545708  -0.002513669185  0.003618897238  -0.003284843878
  27  Al  6.061536611700  6.090115249702  0.030570316926  0.017046371980  -0.058147092658  -0.052946929425  -0.001906035919  0.002110985750  0.004325690961
  28  Al  4.057158560893  4.064098435085  4.075432335705  -0.018476028196  -0.007099453866  -0.117782132816  0.001006011429  0.002007266865  0.003532167707
  29  Al  4.020602477641  6.084585868905  6.119387514427  0.158362378504  -0.025947216550  -0.104107701998  -0.004065372370  0.001348076011  0.006250922309
  30  Al  6.083059202917  4.019341135185  6.081256790536  -0.006163690846  0.026350244740  0.023400397188  0.001148056208  -0.004359564068  0.000918874142
  31  Al  6.103223605506  6.062401630251  4.047275185105  -0.063186348201  0.035686328165  -0.082764517643  0.003979906371  -0.001770453828  -0.000457625773


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)
  -82.540056570229  -0.052533396590  0.006766714233
  -0.052533396590  -82.626357536467  -0.241302959203
  0.006766714233  -0.241302959203  -81.656502013994
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.067106930518  8.090403164081  8.084756913707  0.091339457191  0.007794418717  -0.070138915335  -0.004387010918  -0.001297335439  -0.002135292860
  1  Al  8.084599228750  2.002673943180  1.995151321280  0.088686123565  0.052230521816  0.001041553172  -0.002010248745  -0.002986765268  -0.004055299681
  2  Al  2.006242604015  8.069296342409  2.008481641681  0.042361199297  0.000210274465  0.071033100878  -0.002509513554  -0.004175940775  -0.002178381500
  3  Al  2.004935757035  2.015593238654  8.094439387390  0.019793427532  -0.013819010672  -0.121032711327  -0.002706393144  -0.001290702975  -0.000867955124
  4  Al  0.005292240925  8.076380256391  4.097726299081  0.072351647039  0.009807706177  -0.132145891617  0.000786174149  -0.003200202466  0.006366077160
  5  Al  0.004281339612  2.024525564966  6.093123563324  -0.012937550989  -0.022474200162  -0.047761774827  0.000568875691  -0.000083055264  0.002420456003
  6  Al  2.016455454767  8.095104867524  6.068058261017  -0.043588483641  0.120996416010  0.025871295938  -0.001202453288  -0.000553121942  -0.000921262583
  7  Al  2.022726743446  2.031554531009  4.068489692626  -0.015905399450  -0.049493379914  0.030691353874  -0.000323646175  0.000844647825  0.002540750947
  8  Al  8.087072360541  4.078815838354  8.058915811507  -0.003543923591  -0.081655538488  0.074563639818  -0.001759272922  0.003840854800  -0.005514529440
  9  Al  0.009448286077  6.071121837580  2.021967675273  0.004645541390  -0.002724006320  0.058671611943  0.001291197407  -0.000529030444  -0.000357344566
  10  Al  2.043317929748  4.015958069790  2.020175625713  -0.038701266080  0.215813018823  0.087400968280  0.002456102514  -0.004425961486  -0.000576971963
  11  Al  2.032241614780  6.085007635178  0.034049226877  -0.069090203215  0.012857194006  0.078262538575  0.000919476406  0.001374231431  0.004702007279
  12  Al  8.083049431111  4.060982073751  4.023778789215  0.112245211924  0.014165851985  0.105758030707  -0.002200257822  0.001508674700  -0.003465191658
  13  Al  0.002673441780  6.064122201221  6.047089868319  -0.002735076498  0.012982779563  0.055016020403  0.000364400378  -0.001465877531  -0.003741605383
  14  Al  2.019821809186  4.038225140125  6.087214921215  -0.065573145413  -0.087567745472  -0.065672252011  -0.000765541252  -0.001680759949  0.001601210919
  15  Al  2.054376101054  6.079521386669  4.019268896944  -0.129573849115  -0.047330808752  -0.028586024517  0.003873671037  0.000571473089  -0.004206876565
  16  Al  4.084780292682  0.037251561011  8.098542558480  -0.015611413757  -0.005001315162  0.099270446734  0.004710528030  0.005060661083  -0.000106408958
  17  Al  4.008606147979  1.992622238313  2.020020474505  0.141494946649  0.056377499491  -0.013310020023  -0.005494444273  -0.004348326037  -0.000688992667
  18  Al  6.102638296984  8.068661478509  1.987873627426  -0.134287576739  -0.018273041331  0.051017032087  0.003633493652  -0.004277110270  -0.005001591465
  19  Al  6.086787037225  2.061121374932  8.054950046067  -0.110479272914  -0.115173369815  0.002389405291  0.001499352779  0.004806603772  -0.006124017460
  20  Al  4.060748767229  0.039331010447  4.053677639429  -0.053698515820  -0.126603993159  -0.027086519339  0.001412029228  0.005229680667  0.000475478910
  21  Al  4.058057538354  2.013835104823  6.082680771140  0.021399542855  0.047016872215  0.077897250074  0.001114139944  -0.001475488874  0.001116136062
  22  Al  6.075367217232  0.002920138987  6.079235862770  0.015794144123  0.132228707629  0.046118084380  0.000065739878  0.000519137227  0.000618807210
  23  Al  6.103647004650  2.030711478753  4.039667375342  -0.087252961040  -0.007369914963  0.141744835532  0.003813417327  0.000769485731  -0.001272421437
  24  Al  4.057023419736  4.046134699453  0.040237998808  0.054723748603  -0.042719158481  -0.117450342554  0.001004880161  -0.000563370991  0.005363690969
  25  Al  4.036780153861  6.110907149310  2.059027038945  0.028460344069  -0.068975200292  -0.069662326586  -0.001773880498  0.004814868152  0.004562875943
  26  Al  6.056197174601  4.076944715044  2.000142754073  -0.005741681224  0.032976695252  0.045725171242  -0.002563177275  0.003694220484  -0.003340031238
  27  Al  6.060584355707  6.091168143423  0.032730795697  0.019129107130  -0.061784613628  -0.058117458194  -0.001939353285  0.002140608472  0.004398664505
  28  Al  4.057660740736  4.065101751175  4.077193154740  -0.020408022167  -0.006250327808  -0.124842312573  0.001021793189  0.002044608603  0.003577910950
  29  Al  4.018576870197  6.085258747080  6.122508322005  0.167842443372  -0.027305007302  -0.110751001069  -0.004113742526  0.001369119402  0.006351420753
  30  Al  6.083632955506  4.017162530998  6.081717273596  -0.005300459175  0.030069048559  0.022544211662  0.001169064951  -0.004438167363  0.000940711355
  31  Al  6.105210734284  6.061517998503  4.047042672674  -0.065838083913  0.038993627011  -0.088459000618  0.004044601189  -0.001797658366  -0.000482017729


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)
  -82.430071718083  -0.059014925376  0.007922131732
  -0.059014925376  -82.526374802676  -0.273551462066
  0.007922131732  -0.273551462066  -81.423000686655
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.064917507900  8.089754844769  8.083686132092  0.097934367806  0.009073824390  -0.074560065211  -0.004370089974  -0.001295827430  -0.002148228845
  1  Al  8.083598068616  2.001182895231  1.993123717996  0.094295072807  0.056291449459  0.000754888140  -0.001993890357  -0.002977063482  -0.004055139080
  2  Al  2.004989740768  8.067208381421  2.007395626086  0.045457115219  0.002373059991  0.075305409751  -0.002501662660  -0.004175709826  -0.002165298942
  3  Al  2.003583445222  2.014947269462  8.093999999709  0.020945666819  -0.014391637154  -0.128084615850  -0.002702751098  -0.001293224987  -0.000890226034
  4  Al  0.005688562092  8.074780593559  4.100903430788  0.076975630404  0.010930206885  -0.141671513469  0.000799523900  -0.003198348511  0.006341598081
  5  Al  0.004565199153  2.024483032745  6.094331656391  -0.013482882823  -0.024091375309  -0.050895772787  0.000566513723  -0.000087218193  0.002411636089
  6  Al  2.015852279733  8.094833715049  6.067598786163  -0.045387793884  0.128982302171  0.028470240539  -0.001210407703  -0.000530774024  -0.000916404489
  7  Al  2.022564209393  2.031974642585  4.069761439992  -0.016187980996  -0.052250766381  0.032474759815  -0.000326515300  0.000835551972  0.002546397952
  8  Al  8.086192565668  4.080732615781  8.056161879755  -0.003965264533  -0.087457306292  0.079871399826  -0.001759944238  0.003825736234  -0.005500723058
  9  Al  0.010094092434  6.070857200596  2.021791625590  0.003923548541  -0.003265418176  0.061995085256  0.001291963478  -0.000529565894  -0.000346557050
  10  Al  2.044544251072  4.013754735812  2.019891046523  -0.041523408425  0.228738466389  0.093324886019  0.002448930485  -0.004386218903  -0.000560815202
  11  Al  2.032698264675  6.085695325606  0.036403728824  -0.072770238515  0.012671127074  0.082116651742  0.000906794184  0.001376513645  0.004716345063
  12  Al  8.081954319520  4.061737044309  4.022050920732  0.119640190082  0.013630027091  0.112401678876  -0.002179527434  0.001511159632  -0.003445688337
  13  Al  0.002855519712  6.063389842781  6.045221524824  -0.004107026336  0.013407565690  0.059004307506  0.000363788698  -0.001463518253  -0.003731412047
  14  Al  2.019436107463  4.037380845904  6.088012591149  -0.068605586278  -0.093427375078  -0.070148960474  -0.000777536734  -0.001696940782  0.001589068600
  15  Al  2.056307144668  6.079805007544  4.017164180877  -0.137616209745  -0.050703263830  -0.028750154877  0.003849784438  0.000562708913  -0.004212002378
  16  Al  4.087134858872  0.039781667996  8.098493791355  -0.016323778049  -0.005869110972  0.105952596288  0.004707673047  0.005059689275  -0.000088062165
  17  Al  4.005865250616  1.990450595349  2.019675383218  0.150686699211  0.060594799138  -0.014192653352  -0.005468323444  -0.004337868797  -0.000691451386
  18  Al  6.104449041204  8.066522106576  1.985375112137  -0.143695081804  -0.018046306948  0.055388712937  0.003608642202  -0.004280357194  -0.004992078868
  19  Al  6.087531775230  2.063519528609  8.051888144142  -0.117591788803  -0.123399872032  0.004623611830  0.001478963390  0.004785275496  -0.006123390501
  20  Al  4.061452381539  0.041940191627  4.053914168127  -0.057453758429  -0.134889015448  -0.029110292176  0.001402092295  0.005206303380  0.000470454955
  21  Al  4.058615564878  2.013099462023  6.083242321150  0.022826223948  0.051123477926  0.082923701570  0.001118093696  -0.001466715198  0.001130513339
  22  Al  6.075400793163  0.003185618176  6.079547327837  0.016029695457  0.140788772066  0.049099961839  0.000068584906  0.000543544793  0.000627319635
  23  Al  6.105549813137  2.031095892186  4.039037500567  -0.093684483820  -0.007401276842  0.150279019366  0.003797241649  0.000768165197  -0.001246314714
  24  Al  4.057528305949  4.045851104426  0.042914594304  0.058354303036  -0.046228257700  -0.126314336462  0.001014989257  -0.000571322826  0.005341898582
  25  Al  4.035894485779  6.113311500220  2.061305363035  0.031683979220  -0.073282377703  -0.075213937127  -0.001768503638  0.004802150426  0.004549924109
  26  Al  6.054915329312  4.078793299333  1.998474782353  -0.005571370794  0.033750218333  0.049810954324  -0.002564188654  0.003700185822  -0.003331490377
  27  Al  6.059615534128  6.092235685909  0.034927530120  0.019430557918  -0.066494973761  -0.063524501109  -0.001935906079  0.002129140369  0.004387789801
  28  Al  4.058170725099  4.066123776089  4.078976529808  -0.021435472411  -0.006508017795  -0.132066285764  0.001018052411  0.002043468016  0.003554943506
  29  Al  4.016527501431  6.085942086257  6.125679081851  0.178278448310  -0.029541097149  -0.116958886772  -0.004082799567  0.001364037401  0.006331063653
  30  Al  6.084217251053  4.014944791392  6.082188636992  -0.006368554794  0.033186702055  0.022078868087  0.001168021750  -0.004432512344  0.000944700627
  31  Al  6.107230091940  6.060620912321  4.046797709725  -0.070690818342  0.041705449912  -0.094384758280  0.004032395603  -0.001790443927  -0.000498363829


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)
  -82.313919043850  -0.065889863267  0.009272721910
  -0.065889863267  -82.419772867685  -0.308362535007
  0.009272721910  -0.308362535007  -81.174290459805
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.062736840544  8.089107336651  8.082608684862  0.106656978125  0.010065246006  -0.078122621160  -0.004351799655  -0.001294116411  -0.002161878567
  1  Al  8.082605338393  1.999696879698  1.991096182200  0.102109268490  0.058921124312  0.002501923375  -0.001976331951  -0.002966763560  -0.004054847923
  2  Al  2.003740941355  8.065120632582  2.006316342739  0.046179294198  0.004760638351  0.080824669620  -0.002493470431  -0.004175072079  -0.002151341025
  3  Al  2.002233005937  2.014300013668  8.093549161355  0.019786735863  -0.016594311579  -0.134035532377  -0.002699109651  -0.001295995108  -0.000913659387
  4  Al  0.006091764825  8.073181907880  4.104067897163  0.083330730497  0.012268272957  -0.152280404464  0.000813855173  -0.003196274584  0.006315318991
  5  Al  0.004847853335  2.024438346773  6.095535199413  -0.011833386098  -0.027208757018  -0.055798644279  0.000564250467  -0.000091804387  0.002402097685
  6  Al  2.015245047063  8.094574093500  6.067141856528  -0.049252139455  0.136811076853  0.029860918893  -0.001218868445  -0.000507012287  -0.000911189725
  7  Al  2.022400228145  2.032390082980  4.071036090578  -0.019183745659  -0.056240661954  0.033214562580  -0.000329677507  0.000825852916  0.002552270531
  8  Al  8.085312416303  4.082641574587  8.053415088449  -0.002078551432  -0.092841332478  0.086068764760  -0.001760484551  0.003809617665  -0.005485888127
  9  Al  0.010740249555  6.070592271686  2.021621118223  0.005296665064  -0.002446244993  0.066569677572  0.001292787758  -0.000530076513  -0.000335063453
  10  Al  2.045766860234  4.011571850887  2.019614810511  -0.046858838310  0.241694161428  0.100847332925  0.002441029176  -0.004344162565  -0.000543456346
  11  Al  2.033148408964  6.086384148823  0.038765571940  -0.078556085190  0.013805582878  0.086826939929  0.000893265720  0.001378880644  0.004731448498
  12  Al  8.080869903676  4.062493233383  4.020333100878  0.129489793975  0.012775005117  0.117999372104  -0.002157255393  0.001513520223  -0.003425090649
  13  Al  0.003037230479  6.062658682968  6.043358456272  -0.003386540278  0.015366441927  0.061633358325  0.000363118779  -0.001460945877  -0.003720627127
  14  Al  2.019044272451  4.036528199343  6.088803989815  -0.074050883942  -0.099042018198  -0.076344647163  -0.000790290120  -0.001714147407  0.001575972177
  15  Al  2.058225885492  6.080084095582  4.015056894566  -0.147940339110  -0.052993367502  -0.029500794176  0.003824255888  0.000553438509  -0.004217209971
  16  Al  4.089487965729  0.042311250286  8.098454496315  -0.019056422756  -0.007348414704  0.113234722810  0.004704510083  0.005058507638  -0.000068466977
  17  Al  4.003137824535  1.988284369516  2.019329023119  0.157342287765  0.063403296739  -0.013682549040  -0.005440785874  -0.004326783457  -0.000693943409
  18  Al  6.106246939187  8.064381121315  1.982881548558  -0.150465855364  -0.017865289295  0.061440569828  0.003582344426  -0.004283567665  -0.004981634414
  19  Al  6.088266000615  2.065906650427  8.048826655565  -0.122334371043  -0.133372167259  0.007724753767  0.001457514164  0.004762320260  -0.006122286566
  20  Al  4.062150859524  0.044537313827  4.054148094385  -0.063191845782  -0.143473080297  -0.031721015844  0.001391306665  0.005181418009  0.000465016680
  21  Al  4.059175632050  2.012368389626  6.083811284479  0.022220584388  0.053540284481  0.086457896006  0.001122120848  -0.001457358333  0.001145655932
  22  Al  6.075435802138  0.003463683780  6.079863182405  0.018419885616  0.149112553465  0.050641712561  0.000071664674  0.000569461763  0.000636236469
  23  Al  6.107444246299  2.031479643950  4.038421060628  -0.097301687523  -0.009018025037  0.157865464943  0.003780167623  0.000766697324  -0.001218766819
  24  Al  4.058038408993  4.045563376627  0.045579897390  0.059716474324  -0.049326491993  -0.134131350992  0.001025544700  -0.000579865352  0.005318614925
  25  Al  4.035011650222  6.115709299737  2.063576963054  0.032704157608  -0.076124729640  -0.079764307272  -0.001762747385  0.004788793539  0.004536069165
  26  Al  6.053632985947  4.080644900867  1.996811263696  -0.002836100094  0.034502148699  0.055509105673  -0.002564940276  0.003706287535  -0.003322074839
  27  Al  6.058648449627  6.093297283792  0.037118585499  0.021865102368  -0.069353425205  -0.068123321362  -0.001932214277  0.002116995620  0.004376020581
  28  Al  4.058678793147  4.067145219191  4.080748098246  -0.024875341867  -0.006470302283  -0.140090474405  0.001013912257  0.002042307764  0.003530612887
  29  Al  4.014494070630  6.086622784481  6.128839385657  0.186226091760  -0.029945442951  -0.124301928507  -0.004050213123  0.001358719347  0.006309495110
  30  Al  6.084800977256  4.012730018654  6.082661974222  -0.005043474061  0.036309475113  0.019839620412  0.001167001523  -0.004426299436  0.000948448109
  31  Al  6.109243129888  6.059727554576  4.046544308845  -0.073098442078  0.046328754064  -0.101163775038  0.004019540947  -0.001782573732  -0.000515845727


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)
  -82.189971763103  -0.072949910064  0.011027107217
  -0.072949910064  -82.306738851733  -0.344519589193
  0.011027107217  -0.344519589193  -80.912935192583
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.060565708245  8.088460728358  8.081524253525  0.110705936508  0.010096938399  -0.083709972582  -0.004332367567  -0.001292313926  -0.002176346285
  1  Al  8.081621736665  1.998216131671  1.989068870073  0.105180911186  0.064574627377  0.000945268191  -0.001957800358  -0.002955723129  -0.004054539747
  2  Al  2.002496270337  8.063033309342  2.005244285060  0.050123804299  0.005999469783  0.083826978288  -0.002484861003  -0.004174110133  -0.002136621286
  3  Al  2.000884335572  2.013651274354  8.093086340322  0.022034058224  -0.015436607614  -0.142279372141  -0.002695370902  -0.001298858649  -0.000938361740
  4  Al  0.006502417265  8.071584318975  4.107218749779  0.085874658977  0.012326021435  -0.160260781758  0.000828982013  -0.003194075872  0.006287378034
  5  Al  0.005129449620  2.024391228358  6.096733754076  -0.014478713390  -0.027430705006  -0.057828470653  0.000561898184  -0.000096689116  0.002391939503
  6  Al  2.014633411288  8.094326702762  6.066687596438  -0.049622263605  0.143326146031  0.033679585957  -0.001227707746  -0.000481968221  -0.000905509250
  7  Al  2.022234531885  2.032800495501  4.072313710523  -0.018367582150  -0.057501408837  0.036358229786  -0.000333034569  0.000815684457  0.002558490288
  8  Al  8.084432081117  4.084542233446  8.050675991629  -0.004643977741  -0.097355410829  0.089813982218  -0.001761085540  0.003792614213  -0.005470164336
  9  Al  0.011386880193  6.070327124083  2.021456562137  0.002113289311  -0.004454544842  0.068455013992  0.001293450203  -0.000530693439  -0.000322992343
  10  Al  2.046985280248  4.009410573247  2.019347590178  -0.048643492402  0.255399257562  0.105601389314  0.002432491336  -0.004299722771  -0.000524999978
  11  Al  2.033591530395  6.087074206249  0.041135177322  -0.080888285630  0.011773939088  0.088537682076  0.000879011508  0.001381167435  0.004747125969
  12  Al  8.079797064127  4.063250564532  4.018625830083  0.134450220705  0.013202129858  0.125903891263  -0.002133659346  0.001515842560  -0.003403285873
  13  Al  0.003218638491  6.061928896904  6.041500897697  -0.007204833543  0.014036666883  0.066926960006  0.000362171918  -0.001458317261  -0.003709133927
  14  Al  2.018645817343  4.035666698496  6.089588563326  -0.075801960815  -0.103313943426  -0.079349607784  -0.000803686857  -0.001732237885  0.001562053223
  15  Al  2.060131400556  6.080358446052  4.012946970906  -0.154892185738  -0.057810018290  -0.027710696398  0.003797182878  0.000543532766  -0.004222324637
  16  Al  4.091839368955  0.044840175633  8.098425324378  -0.017153319205  -0.009648549480  0.118163425067  0.004701272958  0.005056988121  -0.000047780149
  17  Al  4.000424464741  1.986123811892  2.018981439809  0.168815297860  0.069227958433  -0.015920105192  -0.005411627621  -0.004314926318  -0.000696589865
  18  Al  6.108031385630  8.062238538911  1.980393477722  -0.160818339681  -0.018413764779  0.064284076619  0.003554515843  -0.004286810986  -0.004970394721
  19  Al  6.088989289394  2.068281848869  8.045765857576  -0.130519695957  -0.140483310417  0.009393405864  0.001434909192  0.004737837777  -0.006120756215
  20  Al  4.062843688203  0.047121609637  4.054379184806  -0.064878292681  -0.152662687556  -0.032008085831  0.001379857286  0.005154943685  0.000459319344
  21  Al  4.059737685726  2.011642103691  6.084387977082  0.025911212263  0.059186392769  0.092673015166  0.001126423796  -0.001447280649  0.001161670107
  22  Al  6.075472457837  0.003755079939  6.080183564306  0.017318073719  0.156213449327  0.055072579674  0.000074859622  0.000596757688  0.000645687251
  23  Al  6.109329980760  2.031862589509  4.037818733748  -0.104845760098  -0.007337227231  0.167472839724  0.003762095787  0.000765235176  -0.001189681809
  24  Al  4.058553850648  4.045271239075  0.048233209229  0.065303179110  -0.051811028709  -0.144789051311  0.001036721367  -0.000588906973  0.005293679642
  25  Al  4.034131738394  6.118100293758  2.065841432201  0.038447011668  -0.081817177338  -0.086809493419  -0.001756386522  0.004774673646  0.004521177588
  26  Al  6.052350389036  4.082499586867  1.995152707513  -0.003328378150  0.035916577286  0.058729528940  -0.002565491376  0.003712582918  -0.003311861988
  27  Al  6.057683319851  6.094352681529  0.039303550701  0.020986589666  -0.075274010709  -0.075522984754  -0.001928383366  0.002104066031  0.004363178704
  28  Al  4.059184637357  4.068166083853  4.082507142696  -0.023500105729  -0.005504729319  -0.145456840249  0.001009587527  0.002041237205  0.003505085163
  29  Al  4.012477288307  6.087300805604  6.131988576961  0.198517223630  -0.033614481824  -0.128736433613  -0.004015817348  0.001353037136  0.006286873662
  30  Al  6.085384252576  4.010518491956  6.083137085101  -0.007272736189  0.041265120941  0.019900285842  0.001165900462  -0.004419364323  0.000952000828
  31  Al  6.111249632887  6.058838338589  4.046281863997  -0.078921544425  0.047324911036  -0.105356242301  0.004005950469  -0.001774201162  -0.000534308468


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)
  -82.060349016682  -0.080810224581  0.012196755623
  -0.080810224581  -82.187314207658  -0.382268539582
  0.012196755623  -0.382268539582  -80.636715052023
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.058404472977  8.087815022725  8.080432338577  0.119912360417  0.011175641377  -0.087414681843  -0.004311750457  -0.001290412173  -0.002191644706
  1  Al  8.080647538035  1.996741156569  1.987041642453  0.113099717830  0.066309866696  0.002724209851  -0.001938286227  -0.002944022150  -0.004054211698
  2  Al  2.001256080351  8.060946522449  2.004179721453  0.049824082019  0.008959843113  0.089468871865  -0.002475925734  -0.004172772781  -0.002121128762
  3  Al  1.999537635035  2.013001155018  8.092610799615  0.019377047735  -0.018685237744  -0.148049533129  -0.002691668779  -0.001301909118  -0.000964316936
  4  Al  0.006920746839  8.069987832008  4.110355275197  0.092352422522  0.013460578830  -0.170376039806  0.000844915386  -0.003191770568  0.006257819340
  5  Al  0.005409751519  2.024341657657  6.097927138915  -0.012417215925  -0.031690565808  -0.063097897676  0.000559493708  -0.000101974515  0.002381128772
  6  Al  2.014017339318  8.094092125278  6.066236347278  -0.054250429143  0.150452189006  0.034776962270  -0.001236993890  -0.000455704649  -0.000899389284
  7  Al  2.022067193576  2.033205767437  4.073594580866  -0.022071287459  -0.062317783736  0.037194872815  -0.000336649775  0.000804972707  0.002565065883
  8  Al  8.083551330763  4.086434188800  8.047944924113  -0.002443178809  -0.102767557812  0.095830380008  -0.001761719127  0.003774723364  -0.005453567863
  9  Al  0.012033699757  6.070061578247  2.021298125880  0.003337870385  -0.002660638430  0.073297092278  0.001293937533  -0.000531329531  -0.000310319806
  10  Al  2.048199351570  4.007272128116  2.019089810533  -0.055309916298  0.267805068545  0.113633118979  0.002423197977  -0.004252948681  -0.000505400571
  11  Al  2.034027420472  6.087765316257  0.043512697909  -0.087464666586  0.013831506590  0.092135247456  0.000863960875  0.001383456543  0.004763277999
  12  Al  8.078736244331  4.064009075942  4.016929815005  0.144426556764  0.012227311358  0.131575122057  -0.002108727962  0.001518115933  -0.003380267434
  13  Al  0.003399402397  6.061200365708  6.039649322345  -0.006409530349  0.017147050791  0.069001833168  0.000360954803  -0.001455529459  -0.003696981991
  14  Al  2.018240585595  4.034795961458  6.090366043038  -0.081802366848  -0.108419463365  -0.085903640843  -0.000817776570  -0.001751166699  0.001547279701
  15  Al  2.062023068370  6.080627628348  4.010834569930  -0.166212499085  -0.059021744720  -0.027308977734  0.003768476350  0.000533088090  -0.004227243356
  16  Al  4.094189238686  0.047368238407  8.098406716166  -0.019928565717  -0.011726022733  0.125017625142  0.004697957864  0.005055077250  -0.000026039938
  17  Al  3.997726196914  1.983969443198  2.018632433254  0.175076044591  0.070649791466  -0.014658150741  -0.005380883982  -0.004302421348  -0.000699323539
  18  Al  6.109801455030  8.060094310329  1.977911153837  -0.166612720774  -0.017716660294  0.070909793933  0.003525243742  -0.004290041020  -0.004958308486
  19  Al  6.089700909807  2.070644488205  8.042705899350  -0.133951935554  -0.151661874939  0.012966024970  0.001411265619  0.004711720208  -0.006118757298
  20  Al  4.063530716810  0.049692257512  4.054607413729  -0.070906480238  -0.161029189264  -0.034392684506  0.001367718225  0.005126899857  0.000453383163
  21  Al  4.060302055846  2.010921108977  6.084972954586  0.025090903529  0.060836681675  0.095539315818  0.001130983348  -0.001436550672  0.001178496154
  22  Al  6.075510661760  0.004060441467  6.080508869656  0.020555422412  0.163966884299  0.056160087981  0.000078245485  0.000625381579  0.000655631371
  23  Al  6.111206342086  2.032244879126  4.037231378819  -0.107520262491  -0.010049616638  0.174876250930  0.003743110417  0.000763680805  -0.001159076046
  24  Al  4.059075130360  4.044974469654  0.050873577032  0.066448406447  -0.054677280120  -0.153560165992  0.001048499864  -0.000598426951  0.005267007437
  25  Al  4.033255263700  6.120483973383  2.068098140641  0.039672627886  -0.083403361317  -0.091142071028  -0.001749402682  0.004759903049  0.004505268846
  26  Al  6.051067494571  4.084357483785  1.993499401709  0.000860778181  0.036548198133  0.065154917286  -0.002565711977  0.003719061217  -0.003300786807
  27  Al  6.056720066261  6.095401349823  0.041481764203  0.024092480730  -0.077191044777  -0.080980328337  -0.001924353330  0.002090435765  0.004349187421
  28  Al  4.059688380674  4.069186456396  4.084253183409  -0.027224517398  -0.005314832149  -0.152648917870  0.001005052782  0.002040269944  0.003478434723
  29  Al  4.010478253282  6.087975821617  6.135126259319  0.205765609644  -0.033036431278  -0.135885483931  -0.003979674753  0.001347078592  0.006263216653
  30  Al  6.085966877718  4.008310654331  6.083613975051  -0.005268543621  0.045072935441  0.016769122027  0.001164779281  -0.004411645763  0.000955279047
  31  Al  6.113249080357  6.057953353414  4.046010000377  -0.080098214795  0.052925757803  -0.111612275399  0.003991734217  -0.001765238824  -0.000553705298


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)
  -81.922750058470  -0.088015763485  0.014642138382
  -0.088015763485  -82.061382765965  -0.421916725136
  0.014642138382  -0.421916725136  -80.347986623107
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.056253957788  8.087170316185  8.079332608820  0.125460681952  0.011934251265  -0.091682050800  -0.004289814284  -0.001288346165  -0.002207655825
  1  Al  8.079683450438  1.995272109521  1.985014658375  0.117450285577  0.071449900097  0.002386550245  -0.001917675222  -0.002931706526  -0.004053754800
  2  Al  2.000020344603  8.058860536561  2.003123156298  0.053111712847  0.011829107929  0.093189186240  -0.002466723348  -0.004170914264  -0.002104799263
  3  Al  1.998192666793  2.012349365236  8.092122023386  0.020938387330  -0.018272845375  -0.154487214892  -0.002688064608  -0.001305213144  -0.000991363503
  4  Al  0.007347332652  8.068392548407  4.113476569119  0.095846571202  0.014532071554  -0.179811369934  0.000861740241  -0.003189268045  0.006226512838
  5  Al  0.005688943328  2.024289253843  6.099114882848  -0.013662938352  -0.032535903128  -0.066167719834  0.000557162161  -0.000107716315  0.002369572519
  6  Al  2.013396417398  8.093870998112  6.065788207154  -0.054788527065  0.157325312006  0.038004661601  -0.001246741894  -0.000428189562  -0.000892882659
  7  Al  2.021897882110  2.033605468208  4.074878776405  -0.021893070692  -0.063938854555  0.038789557886  -0.000340580157  0.000793685454  0.002571858836
  8  Al  8.082670361990  4.088316956809  8.045222423765  -0.003766604934  -0.107833262617  0.100866798936  -0.001762274277  0.003755895802  -0.005435983277
  9  Al  0.012680817725  6.069795794552  2.021146242331  0.001203073630  -0.004143225799  0.075734209043  0.001294343490  -0.000531937791  -0.000296996515
  10  Al  2.049408478225  4.005157624566  2.018842189607  -0.057837195046  0.280141301660  0.119314588908  0.002413082706  -0.004203962669  -0.000484575214
  11  Al  2.034455491270  6.088457662792  0.045898455322  -0.090007745395  0.012167964982  0.094395535738  0.000848094969  0.001385780877  0.004779953717
  12  Al  8.077688336165  4.064768680465  4.015245562649  0.150792346894  0.011252947414  0.138025869266  -0.002082335605  0.001520215052  -0.003356165300
  13  Al  0.003579593295  6.060473367445  6.037803915707  -0.009163454805  0.016470773796  0.073599647956  0.000359562590  -0.001452524049  -0.003684233521
  14  Al  2.017828040773  4.033915531797  6.091135843027  -0.083768702675  -0.113103709501  -0.090003828444  -0.000832578505  -0.001770970711  0.001531553700
  15  Al  2.063899876907  6.080891534143  4.008719727550  -0.173487743862  -0.063372313812  -0.025913682422  0.003738107393  0.000522146150  -0.004232001424
  16  Al  4.096537326819  0.049895252883  8.098399284440  -0.019441754689  -0.013922494613  0.130834349513  0.004694438186  0.005052784291  -0.000003166956
  17  Al  3.995043580759  1.981821390544  2.018282116270  0.184738946412  0.075971238477  -0.015866670398  -0.005348716781  -0.004289313533  -0.000702052436
  18  Al  6.111556629372  8.057948497891  1.975435169236  -0.176102771657  -0.017046229481  0.075181258614  0.003494605224  -0.004293148797  -0.004945248052
  19  Al  6.090400555013  2.072993569078  8.039647100278  -0.141248301635  -0.159475293793  0.016367416488  0.001386662915  0.004683904769  -0.006116134909
  20  Al  4.064211406429  0.052248509493  4.054832567969  -0.073809502841  -0.169598129818  -0.035679670118  0.001354780721  0.005097342012  0.000447118745
  21  Al  4.060868669075  2.010205553019  6.085566473236  0.027415021369  0.066001210163  0.100587671047  0.001135677340  -0.001425211456  0.001196029765
  22  Al  6.075550703322  0.004380461518  6.080839195677  0.019774274317  0.171280150542  0.059496704925  0.000081850931  0.000655352423  0.000665971005
  23  Al  6.113073091177  2.032626270314  4.036659657701  -0.114196732574  -0.009046879928  0.182870246394  0.003723289077  0.000761973592  -0.001127093767
  24  Al  4.059602350512  4.044672812124  0.053500216666  0.070703899957  -0.057555596565  -0.163166181105  0.001060761181  -0.000608460490  0.005238692329
  25  Al  4.032382335711  6.122860196807  2.070346701046  0.044458255368  -0.088417056920  -0.097770982526  -0.001741881442  0.004744542427  0.004488380155
  26  Al  6.049784677059  4.086218648084  1.991851920706  0.001311417234  0.036834498598  0.069399583710  -0.002565517785  0.003725621577  -0.003288757732
  27  Al  6.055758966521  6.096443117294  0.043652738122  0.023472431857  -0.082617007480  -0.087780680167  -0.001920101061  0.002076149040  0.004334100308
  28  Al  4.060189690139  4.070206353797  4.085985577418  -0.027332943888  -0.004944123556  -0.158722236474  0.001000175385  0.002039352800  0.003450598365
  29  Al  4.008497613554  6.088647884196  6.138251793614  0.216435202033  -0.036004373439  -0.140807322864  -0.003941930305  0.001340906394  0.006238480515
  30  Al  6.086549031857  4.006106846193  6.084092364148  -0.007125264965  0.049759179176  0.015458448877  0.001163671283  -0.004403167840  0.000958160169
  31  Al  6.115241367104  6.057073099764  4.045728158700  -0.085479252905  0.054877392722  -0.116642675406  0.003976931711  -0.001755601300  -0.000574111126


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)
  -81.779108847879  -0.095951987071  0.016565879547
  -0.095951987071  -81.928895679504  -0.463022276160
  0.016565879547  -0.463022276160  -80.045827356043
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.054114658693  8.086526676560  8.078224682753  0.133430494782  0.013013006409  -0.095342603169  -0.004345204051  -0.001309788790  -0.002265318664
  1  Al  8.078729862813  1.993809450043  1.982987887653  0.124050636067  0.074437361018  0.003306385534  -0.001930985505  -0.002972386703  -0.004127851924
  2  Al  1.998789357003  8.056775608185  2.002074922190  0.054265112857  0.015381682984  0.097923215941  -0.002502350988  -0.004245208795  -0.002126141458
  3  Al  1.996849570427  2.011695941875  8.091619436112  0.019981353596  -0.020113669175  -0.159974146324  -0.002733816938  -0.001332732442  -0.001038241109
  4  Al  0.007782487079  8.066798563963  4.116581788034  0.101179629759  0.016008617076  -0.190132675862  0.000895540075  -0.003245190735  0.006307439659
  5  Al  0.005966913680  2.024233941342  6.100296711434  -0.012538161167  -0.035572452466  -0.070521896237  0.000565032092  -0.000115899908  0.002400743175
  6  Al  2.012770597424  8.093663935716  6.065343464619  -0.057289472195  0.164179806276  0.040308181778  -0.001279894168  -0.000406799662  -0.000902187525
  7  Al  2.021726613419  2.033999452892  4.076166439702  -0.023916109606  -0.067523531270  0.039530902186  -0.000351019733  0.000796325458  0.002626328426
  8  Al  8.081789056486  4.090190084602  8.042508940836  -0.002616801206  -0.113135920929  0.106842757241  -0.001795292754  0.003804910600  -0.005517129825
  9  Al  0.013328043247  6.069529640456  2.021001129365  0.001220633075  -0.003541375159  0.079310566350  0.001318388489  -0.000542428547  -0.000288347160
  10  Al  2.050612434276  4.003068165447  2.018605235319  -0.062892110472  0.292014452342  0.126181411676  0.002446507336  -0.004229251096  -0.000471143411
  11  Al  2.034875515441  6.089151097135  0.048292651627  -0.094585007738  0.012621031220  0.097102456997  0.000846899217  0.001413545162  0.004885370831
  12  Al  8.076653908726  4.065529290994  4.013573649706  0.159573914139  0.009828747138  0.143757224242  -0.002092406878  0.001550116268  -0.003392285667
  13  Al  0.003758964986  6.059747841658  6.035965088824  -0.009781530669  0.018123524203  0.077017500518  0.000364456036  -0.001476110301  -0.003738334454
  14  Al  2.017408007090  4.033024990747  6.091897596738  -0.087803525222  -0.117863996587  -0.095570765610  -0.000863524121  -0.001824596493  0.001542848639
  15  Al  2.065761175764  6.081149774498  4.006602568506  -0.182836798859  -0.065819065543  -0.024776457958  0.003774471366  0.000519994828  -0.004314512830
  16  Al  4.098883676872  0.052421022698  8.098403549210  -0.021195169250  -0.016371898391  0.137240461475  0.004777146579  0.005143030216  0.000021181572
  17  Al  3.992377480133  1.979680129664  2.017930380818  0.192027999303  0.078911627784  -0.015541988310  -0.005412865260  -0.004354163500  -0.000717834359
  18  Al  6.113296060253  8.055801161532  1.972965905785  -0.183247860821  -0.015780986082  0.081022650604  0.003526211664  -0.004375159387  -0.005022051203
  19  Al  6.091087572722  2.075328392974  8.036589764441  -0.145917288841  -0.169753930028  0.020870195488  0.001386041590  0.004740144449  -0.006225321253
  20  Al  4.064885497531  0.054789599524  4.055054532474  -0.078768035075  -0.178001456665  -0.037657177510  0.001365826099  0.005159519098  0.000448671697
  21  Al  4.061437733186  2.009495897521  6.086168984351  0.027351606275  0.068852787856  0.104111502117  0.001161567402  -0.001439166854  0.001236681283
  22  Al  6.075592512691  0.004715793890  6.081174840661  0.021110609277  0.178486329720  0.061489084628  0.000087079876  0.000699259589  0.000689244328
  23  Al  6.114929631163  2.033006852718  4.036104285052  -0.118533643930  -0.010316935720  0.189862204063  0.003770632904  0.000774235883  -0.001113904264
  24  Al  4.060135891541  4.044366009164  0.056112269361  0.072519012530  -0.060303922173  -0.172154583453  0.001093325784  -0.000630390615  0.005304589103
  25  Al  4.031513382258  6.125228515809  2.072586520796  0.046958608626  -0.091075155537  -0.103303817437  -0.001765620351  0.004815531011  0.004552688706
  26  Al  6.048501976787  4.088083105362  1.990210643977  0.004171061574  0.036612690575  0.075167903831  -0.002612240836  0.003800884214  -0.003336130130
  27  Al  6.054799965200  6.097477498863  0.045815864511  0.024838714300  -0.085700459595  -0.094210995358  -0.001951044921  0.002099039245  0.004397306527
  28  Al  4.060688556059  4.071225809196  4.087703781774  -0.029840463702  -0.004693849097  -0.165394561970  0.001013379770  0.002076012660  0.003484602651
  29  Al  4.006536322977  6.089316728011  6.141364739835  0.224486598696  -0.036617604645  -0.146754283893  -0.003974343803  0.001358975933  0.006327128113
  30  Al  6.087130549002  4.003907486491  6.084572135219  -0.006775013193  0.054401884192  0.012529571048  0.001183824850  -0.004474731423  0.000978344707
  31  Al  6.117226012068  6.056197752114  4.045435889251  -0.088628992910  0.059312660268  -0.122238222625  0.004034281451  -0.001777519363  -0.000606427368


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)
  -81.624505144465  -0.103452946620  0.019726809788
  -0.103452946620  -81.787470471390  -0.505958597805
  0.019726809788  -0.505958597805  -79.726031889112
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.051948020963  8.085872363841  8.077087761641  0.137869535617  0.013861893004  -0.099471293059  -0.004320950024  -0.001307386193  -0.002282734886
  1  Al  8.077769915079  1.992326584015  1.980924109485  0.127111071689  0.080462685533  0.002111487416  -0.001908531830  -0.002958538750  -0.004127367570
  2  Al  1.997540607140  8.054653691344  2.001016228593  0.058822140640  0.019014467577  0.101014982315  -0.002492241069  -0.004242133803  -0.002108356526
  3  Al  1.995483555117  2.011028676580  8.091093164770  0.022990015333  -0.018803406969  -0.166085918953  -0.002729975329  -0.001336211600  -0.001067390645
  4  Al  0.008234779810  8.065176684174  4.119727009002  0.103750965667  0.017335160303  -0.199766626553  0.000913860723  -0.003242209826  0.006272582942
  5  Al  0.006248869274  2.024174401312  6.101493930718  -0.014873342546  -0.035642228336  -0.072985349059  0.000562581523  -0.000122266449  0.002387913730
  6  Al  2.012128089521  8.093467874664  6.064894172617  -0.055879008939  0.170592857824  0.044316246075  -0.001290011349  -0.000376871226  -0.000894622163
  7  Al  2.021550034511  2.034394597343  4.077481370932  -0.022164903518  -0.068432614943  0.040976409174  -0.000355139343  0.000784171076  0.002633525722
  8  Al  8.080891293139  4.092087482767  8.039755151757  -0.005200258657  -0.118261129923  0.111989151732  -0.001795991593  0.003784223870  -0.005497566409
  9  Al  0.013987292053  6.069258267884  2.020860500939  -0.002346927426  -0.005873775442  0.080784420377  0.001318287799  -0.000543270255  -0.000274034783
  10  Al  2.051832876689  4.000966592840  2.018375303877  -0.064281423271  0.303812284430  0.131194952450  0.002435138113  -0.004175984614  -0.000448134149
  11  Al  2.035294737133  6.089858433871  0.050739677487  -0.095519764844  0.009927232812  0.098246513017  0.000829903987  0.001415560960  0.004902834889
  12  Al  8.075614838183  4.066304788470  4.011883932768  0.164754699515  0.008458321547  0.150197394585  -0.002063412133  0.001551751119  -0.003366006336
  13  Al  0.003940755773  6.059010596623  6.034099364251  -0.014004430875  0.016485149240  0.082658761064  0.000362329588  -0.001473016311  -0.003724059511
  14  Al  2.016972320244  4.032107424022  6.092664749079  -0.087779205872  -0.122177043525  -0.098913362224  -0.000879221091  -0.001846055990  0.001525461898
  15  Al  2.067640238707  6.081406829823  4.004444204592  -0.188632954141  -0.070847435967  -0.022382573720  0.003741262237  0.000507776941  -0.004318728814
  16  Al  4.101271302745  0.054991805988  8.098420274595  -0.019582700641  -0.018855130108  0.142759945560  0.004773501067  0.005139880945  0.000046213406
  17  Al  3.989679631085  1.977506575236  2.017570768917  0.202987951504  0.085161744887  -0.017440889540  -0.005377551119  -0.004339495459  -0.000720783005
  18  Al  6.115050974972  8.053612876434  1.970458501867  -0.194121240894  -0.014411257702  0.084686609361  0.003492475138  -0.004377858552  -0.005007236914
  19  Al  6.091774071067  2.077690877259  8.033478036705  -0.154478778712  -0.177070868374  0.025295183620  0.001359186398  0.004709138562  -0.006221194101
  20  Al  4.065564889677  0.057361402472  4.055277185060  -0.080836115176  -0.186592370586  -0.038617987817  0.001351557603  0.005126924673  0.000441852752
  21  Al  4.062019739494  2.008779391789  6.086791978740  0.030628641536  0.075124361142  0.109797871989  0.001166750794  -0.001426295400  0.001255804628
  22  Al  6.075636996265  0.005073401959  6.081522211365  0.018614789152  0.185316502389  0.065585242834  0.000090631298  0.000731783300  0.000700604682
  23  Al  6.116809649204  2.033393509496  4.035555819692  -0.126757642982  -0.008343644070  0.197517241705  0.003748704039  0.000772567641  -0.001079272820
  24  Al  4.060685796007  4.044048118293  0.058756868664  0.077789664998  -0.063345729672  -0.182635364378  0.001106763272  -0.000641444805  0.005272871137
  25  Al  4.030632671116  6.127632210288  2.074858247505  0.053452264308  -0.096700958047  -0.110901276482  -0.001756643691  0.004798743962  0.004533538924
  26  Al  6.047196042814  4.089985184043  1.988545938890  0.003615617055  0.036236515983  0.079049052405  -0.002611544712  0.003807396881  -0.003322343245
  27  Al  6.053825553021  6.098523187706  0.048010306577  0.022678919737  -0.092123173207  -0.102103478177  -0.001946796879  0.002083141940  0.004379756154
  28  Al  4.061193912086  4.072263605713  4.089438690022  -0.028698881529  -0.004349123813  -0.170879103374  0.001008146395  0.002075204224  0.003454540027
  29  Al  4.004559185546  6.089994579184  6.144521744028  0.236152952693  -0.040473809225  -0.150655508863  -0.003933162958  0.001352084016  0.006300539892
  30  Al  6.087722158586  4.001672552524  6.085061867640  -0.010335157878  0.060095604398  0.011389462549  0.001182295213  -0.004464495430  0.000980483052
  31  Al  6.119239191109  6.055311643687  4.045127211563  -0.095726491544  0.060418918840  -0.126732196029  0.004017800203  -0.001766815446  -0.000628685144


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)
  -81.464394530604  -0.112052383154  0.022383124727
  -0.112052383154  -81.639182075926  -0.550950292607
  0.022383124727  -0.550950292607  -79.392294536836
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.049793708669  8.085219290366  8.075941947866  0.145914494285  0.014549996501  -0.103131281933  -0.004295579936  -0.001304846191  -0.002300847411
  1  Al  8.076821330983  1.990850911293  1.978860520083  0.133527826010  0.083251336095  0.004231160686  -0.001885230900  -0.002943902834  -0.004126800542
  2  Al  1.996297115934  8.052533474382  1.999966565663  0.058288484037  0.023127398458  0.106703522804  -0.002481771463  -0.004238366351  -0.002089786641
  3  Al  1.994119595098  2.010359730274  8.090552045467  0.020027026871  -0.021032051733  -0.171154048973  -0.002726129636  -0.001339772862  -0.001097539655
  4  Al  0.008696347802  8.063556354137  4.122854370976  0.108544903434  0.018592624880  -0.210112428948  0.000932839821  -0.003238997907  0.006235940050
  5  Al  0.006529495203  2.024111674893  6.102684625165  -0.013738769262  -0.039184296542  -0.078706801953  0.000560023621  -0.000128955886  0.002374352561
  6  Al  2.011480586075  8.093287064490  6.064448842456  -0.059537302795  0.176385694288  0.045704748188  -0.001300329484  -0.000345851593  -0.000886574350
  7  Al  2.021371474077  2.034783623968  4.078799965424  -0.025862450852  -0.072295798933  0.041498450736  -0.000359432954  0.000771590057  0.002640898915
  8  Al  8.079993064893  4.093974308472  8.037011374427  -0.003915272964  -0.123164335306  0.117876730470  -0.001796806515  0.003762640607  -0.005477016565
  9  Al  0.014646331046  6.068986370201  2.020727094582  -0.002978594211  -0.004886494508  0.085281970409  0.001317811701  -0.000544232215  -0.000259188567
  10  Al  2.053047572390  3.998892180833  2.018157101170  -0.071351197782  0.315457420319  0.139265525985  0.002423012655  -0.004120622348  -0.000423955177
  11  Al  2.035705419428  6.090566658095  0.053195486515  -0.101305491123  0.010431725304  0.099702415949  0.000812307951  0.001417381036  0.004920531380
  12  Al  8.074590496593  4.067081042113  4.010207643370  0.173398129831  0.006915362243  0.155928935288  -0.002033181514  0.001553125515  -0.003338638862
  13  Al  0.004121294574  6.058274825347  6.032241029313  -0.014935574679  0.018570482250  0.085057384842  0.000359742372  -0.001469882363  -0.003709065809
  14  Al  2.016528785999  4.031178934757  6.093423058636  -0.093086390133  -0.125829990175  -0.105567066347  -0.000895390345  -0.001868227640  0.001507181495
  15  Al  2.069502438001  6.081657551439  4.002283839692  -0.199483524258  -0.072977127200  -0.019844136323  0.003706564903  0.000494919129  -0.004322503851
  16  Al  4.103657177939  0.057560903643  8.098449762617  -0.020983606999  -0.022634014736  0.148662467427  0.004769874468  0.005136171845  0.000072266360
  17  Al  3.986999929014  1.975340634205  2.017209597813  0.210178648557  0.087527397660  -0.015711737664  -0.005340614322  -0.004324057174  -0.000723746826
  18  Al  6.116788535391  8.051423302980  1.967958668871  -0.199561076442  -0.012906127643  0.092135123985  0.003457280222  -0.004380300706  -0.004991429179
  19  Al  6.092446759120  2.080037531535  8.030368570340  -0.157265693217  -0.188211201054  0.030503065555  0.001331316666  0.004676482607  -0.006216205778
  20  Al  4.066237055133  0.059916524197  4.055496385225  -0.085482214696  -0.195563912233  -0.040114217376  0.001336688864  0.005092760176  0.000434814149
  21  Al  4.062604483981  2.008069602121  6.087424788979  0.030773260188  0.077681796450  0.111895527577  0.001172240080  -0.001412634640  0.001275623858
  22  Al  6.075683143989  0.005447577191  6.081875445342  0.021163176412  0.191440900734  0.066249726851  0.000094187420  0.000765465141  0.000712390633
  23  Al  6.118678335203  2.033779420358  4.035025012232  -0.129327132313  -0.010204335287  0.204206298730  0.003725810245  0.000770909465  -0.001043359025
  24  Al  4.061242654813  4.043724564360  0.061385140497  0.079521164327  -0.065235192003  -0.192509354632  0.001120826746  -0.000652939846  0.005239333469
  25  Al  4.029756738567  6.130027259771  2.077120059720  0.056683830068  -0.098773023078  -0.115757540427  -0.001746797604  0.004781268728  0.004513275789
  26  Al  6.045890432074  4.091890502243  1.986888300731  0.008761229363  0.036011823892  0.086449118760  -0.002610438231  0.003813855831  -0.003307547828
  27  Al  6.052853168321  6.099560640803  0.050195620665  0.025232070165  -0.094673906559  -0.109562574415  -0.001942513671  0.002066442416  0.004360833361
  28  Al  4.061696702454  4.073301013421  4.091158321802  -0.031085511694  -0.003425702806  -0.176790450723  0.001002801713  0.002074509160  0.003423458620
  29  Al  4.002603160019  6.090668812027  6.147665279726  0.243998936236  -0.040582098738  -0.157265039362  -0.003890237725  0.001344837676  0.006273012016
  30  Al  6.088312844215  3.999442991061  6.085552618271  -0.008722555397  0.066047755572  0.006603754701  0.001180591467  -0.004453218304  0.000982091632
  31  Al  6.121243812271  6.054430936668  4.044807204107  -0.097390820968  0.065587893888  -0.131729249870  0.004000535655  -0.001755550528  -0.000651791411


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)
  -81.295315906919  -0.119767235371  0.025854333234
  -0.119767235371  -81.484614378497  -0.596076213586
  0.025854333234  -0.596076213586  -79.047610554738
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.047652441027  8.084567517650  8.074786914230  0.152584999488  0.015765082038  -0.106422359512  -0.004268894296  -0.001302136045  -0.002319581356
  1  Al  8.075884684179  1.989382681181  1.976797308943  0.138591531641  0.087699550292  0.003568042881  -0.001860903625  -0.002928619948  -0.004126103299
  2  Al  1.995058835677  8.050415324993  1.998926441952  0.061487503080  0.028173822651  0.110120352483  -0.002471063576  -0.004233780059  -0.002070402743
  3  Al  1.992757425481  2.009688903718  8.089995625115  0.021318064305  -0.021611957478  -0.175807771687  -0.002722433415  -0.001343585205  -0.001128557792
  4  Al  0.009167619630  8.061937686267  4.125962949051  0.112926610281  0.020527253514  -0.220574498048  0.000952639215  -0.003235500618  0.006197436948
  5  Al  0.006808892895  2.024045445426  6.103868283280  -0.013872692011  -0.040957664876  -0.081649256334  0.000557555176  -0.000136120520  0.002360016845
  6  Al  2.010827760037  8.093122023070  6.064007598267  -0.059010838525  0.182533183692  0.049464622370  -0.001310927603  -0.000313764504  -0.000878066277
  7  Al  2.021190601558  2.035166187400  4.080122269847  -0.025209584126  -0.074676291182  0.041719907393  -0.000363998757  0.000758450858  0.002648338576
  8  Al  8.079094486624  4.095850123374  8.034278135192  -0.004513667291  -0.128548709985  0.123834068768  -0.001797560057  0.003740137642  -0.005455407793
  9  Al  0.015305103754  6.068714035669  2.020601312371  -0.004746294750  -0.005548630091  0.086816086347  0.001317121101  -0.000545165108  -0.000243803125
  10  Al  2.054255889344  3.996845970492  2.017951348700  -0.074219530481  0.326067721810  0.144908582764  0.002409998736  -0.004063270462  -0.000398550216
  11  Al  2.036107045084  6.091275814907  0.055660208868  -0.103336591100  0.009267097918  0.100633264526  0.000794013096  0.001419142097  0.004938441246
  12  Al  8.073581656670  4.067857913985  4.008545293906  0.180618119707  0.004685285179  0.161496202066  -0.002001532716  0.001554162605  -0.003310261283
  13  Al  0.004300498146  6.057540714260  6.030390298443  -0.017172192171  0.018646749212  0.090470983540  0.000356871961  -0.001466555169  -0.003693373699
  14  Al  2.016076929899  4.030239196382  6.094171930574  -0.094034609350  -0.129857562053  -0.109737822891  -0.000912118828  -0.001891085923  0.001487933393
  15  Al  2.071346803611  6.081901748952  4.000121700741  -0.206285315050  -0.076554464327  -0.017104968823  0.003670289461  0.000481551112  -0.004325807075
  16  Al  4.106041177213  0.060127977833  8.098492540956  -0.021468563491  -0.025485609924  0.154519989915  0.004766079275  0.005131869985  0.000099370654
  17  Al  3.984339016763  1.973182518062  2.016847022091  0.218670396427  0.092092451974  -0.016657443842  -0.005302275526  -0.004307999289  -0.000726640607
  18  Al  6.118508255193  8.049232575728  1.965467072689  -0.208755024855  -0.010417512607  0.096608295850  0.003420777056  -0.004382385823  -0.004974555653
  19  Al  6.093105387733  2.082367359866  8.027261830927  -0.164053123047  -0.197318558016  0.036522761068  0.001302590995  0.004642016524  -0.006210213717
  20  Al  4.066901578541  0.062454162648  4.055711999209  -0.089692424123  -0.203614644692  -0.041591827526  0.001321028377  0.005057073900  0.000427509688
  21  Al  4.063191979575  2.007366757149  6.088067602598  0.031963368401  0.082386422520  0.116503486760  0.001177848690  -0.001398324656  0.001296042565
  22  Al  6.075731183685  0.005838867101  6.082234601998  0.019751014518  0.198017162467  0.069865112148  0.000097845119  0.000800282412  0.000724559202
  23  Al  6.120535459449  2.034164418961  4.034512460668  -0.136179432272  -0.009721720384  0.210570519031  0.003702074149  0.000769128090  -0.001006278275
  24  Al  4.061806622753  4.043395178447  0.063996202133  0.082850734004  -0.068266825304  -0.202499268936  0.001135342677  -0.000664874831  0.005204019982
  25  Al  4.028885873512  6.132413479017  2.079371523295  0.061299447826  -0.102668741340  -0.123160677159  -0.001736249984  0.004763259980  0.004491916673
  26  Al  6.044585604583  4.093799039874  1.985238391062  0.009847307338  0.034600282862  0.091078709461  -0.002608774641  0.003820168502  -0.003291676968
  27  Al  6.051883039350  6.100589630121  0.052371139938  0.024186721594  -0.099441044210  -0.117570951101  -0.001938095667  0.002049088679  0.004340527787
  28  Al  4.062196713799  4.074338114873  4.092862148642  -0.032137702970  -0.003380502377  -0.182523309860  0.000997149604  0.002073900690  0.003391336228
  29  Al  4.000668947821  6.091339416860  6.150794756044  0.253007039859  -0.042698957222  -0.161277123526  -0.003845805748  0.001337392410  0.006244534576
  30  Al  6.088902750054  3.997219334219  6.086043959273  -0.011234889672  0.071926481786  0.004364998991  0.001178807286  -0.004440883507  0.000983072231
  31  Al  6.123239726764  6.053556093159  4.044475420152  -0.103180383186  0.068380848154  -0.136488707117  0.003982604733  -0.001743573819  -0.000675769903


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)
  -81.120495688208  -0.128285294664  0.029443958550
  -0.128285294664  -81.322637711150  -0.643227051390
  0.029443958550  -0.643227051390  -78.689878681110
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.045524814374  8.083917154322  8.073622366511  0.161156875146  0.016849852053  -0.109457029056  -0.004240845998  -0.001299220293  -0.002338880818
  1  Al  8.074960427358  1.987922291345  1.974734416784  0.145209427017  0.091136868402  0.005092985000  -0.001835532023  -0.002912632101  -0.004125329009
  2  Al  1.993826052358  8.048299694323  1.997896162920  0.061529204525  0.033454704686  0.115020953441  -0.002460065971  -0.004228270513  -0.002050275272
  3  Al  1.991397161684  2.009016145069  8.089423487675  0.019553204132  -0.023170238695  -0.180017583120  -0.002718779553  -0.001347588702  -0.001160368323
  4  Al  0.009648987017  8.060320853518  4.129051807925  0.118386694127  0.022648098568  -0.231609126816  0.000973318457  -0.003231640773  0.006157012058
  5  Al  0.007087050379  2.023975554373  6.105044642010  -0.012090847795  -0.043708805684  -0.086631916860  0.000555234054  -0.000143689642  0.002344972629
  6  Al  2.010169658472  8.092973299986  6.063570776179  -0.061259895425  0.188385012596  0.051772872466  -0.001321679720  -0.000280604684  -0.000869015718
  7  Al  2.021007475320  2.035542074826  4.081448304000  -0.027927400286  -0.077737460276  0.041636346523  -0.000368749165  0.000744825178  0.002655790565
  8  Al  8.078195504836  4.097714446114  8.031555966633  -0.003016183252  -0.133718303577  0.130114236829  -0.001798233220  0.003716691160  -0.005432704998
  9  Al  0.015963452147  6.068441205093  2.020483291457  -0.004933618856  -0.005248341798  0.090091990846  0.001316255724  -0.000546130349  -0.000227987670
  10  Al  2.055457571126  3.994828910370  2.017758550954  -0.080465641146  0.336504069009  0.152171149669  0.002396169993  -0.004004037021  -0.000371991502
  11  Al  2.036499432524  6.091985800192  0.058133927761  -0.108128941641  0.008904252850  0.101531487949  0.000775108230  0.001420766603  0.004956514630
  12  Al  8.072588963877  4.068635204718  4.006897382086  0.189813059862  0.002110933532  0.166677834764  -0.001968416435  0.001554770182  -0.003280922761
  13  Al  0.004478166536  6.056808270178  6.028547655614  -0.017798674228  0.019831483853  0.094167693310  0.000353745591  -0.001463115243  -0.003676867134
  14  Al  2.015616667172  4.029287848834  6.094910992029  -0.098018728860  -0.133690163891  -0.115695616817  -0.000929288258  -0.001914646900  0.001467779806
  15  Al  2.073172727462  6.082139102551  3.997958032618  -0.216104916833  -0.079287131598  -0.014161197998  0.003632528078  0.000467618986  -0.004328602247
  16  Al  4.108423257214  0.062692773628  8.098549133271  -0.023600081689  -0.028876070341  0.160375116513  0.004762050170  0.005127010090  0.000127522050
  17  Al  3.981697653488  1.971032634917  2.016482957206  0.225142536659  0.095544535307  -0.015878515443  -0.005262598969  -0.004291224677  -0.000729549299
  18  Al  6.120209312447  8.047040917157  1.962984113218  -0.214523654851  -0.007547048839  0.103383319635  0.003382936247  -0.004383991842  -0.004956676546
  19  Al  6.093749350115  2.084679548060  8.024158356622  -0.167463498567  -0.207782178120  0.043167686848  0.001272953648  0.004605800810  -0.006203089449
  20  Al  4.067558083510  0.064973598097  4.055923894913  -0.095224171628  -0.212019841874  -0.043071926813  0.001304496966  0.005019916476  0.000419940809
  21  Al  4.063782332670  2.006671277465  6.088720831544  0.031185402575  0.085813068830  0.119239342195  0.001183494144  -0.001383287743  0.001317117805
  22  Al  6.075780989108  0.006247859602  6.082600004544  0.021191784993  0.204003702983  0.071372943588  0.000101505376  0.000836222788  0.000737185782
  23  Al  6.122380409351  2.034548548448  4.034018733957  -0.139479590036  -0.010669855684  0.216224782643  0.003677430431  0.000767305098  -0.000968123083
  24  Al  4.062377997490  4.043059689529  0.066589160479  0.084001364932  -0.070779863649  -0.212222517388  0.001150259135  -0.000677305505  0.005166944153
  25  Al  4.028020488583  6.134790519751  2.081611976393  0.064252782319  -0.105443641967  -0.129052658944  -0.001725025705  0.004744654882  0.004469368982
  26  Al  6.043281657433  4.095710670745  1.983596623763  0.014396171254  0.033043811871  0.097666513291  -0.002606607292  0.003826215836  -0.003274803281
  27  Al  6.050915072654  6.101609729482  0.054536148453  0.025893387854  -0.103109012171  -0.125661734766  -0.001933618541  0.002030980849  0.004318782960
  28  Al  4.062693852057  4.075374914111  4.094549658030  -0.035122544819  -0.003024384660  -0.188264541841  0.000991136586  0.002073328098  0.003358188061
  29  Al  3.998757354271  6.092006204436  6.153909814302  0.260074969289  -0.043542900302  -0.166902180256  -0.003799936586  0.001329682450  0.006215195583
  30  Al  6.089491651501  3.995002107554  6.086535690502  -0.010648732413  0.078300079730  0.000068224996  0.001176850906  -0.004427453360  0.000983468558
  31  Al  6.125226417004  6.052687362849  4.044131434204  -0.105979742358  0.072824768857  -0.141148934388  0.003963905969  -0.001730950138  -0.000700590509


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)
  -80.936376550874  -0.135843578122  0.034433085794
  -0.135843578122  -81.154525440196  -0.691207536613
  0.034433085794  -0.691207536613  -78.322532859583
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.043411595029  8.083268297357  8.072448033412  0.165841712805  0.017796651454  -0.113237110418  -0.004296671785  -0.001322299880  -0.002406428466
  1  Al  8.074049152156  1.986470049080  1.972671979934  0.148158517655  0.097008530756  0.004533120162  -0.001845846511  -0.002954296888  -0.004207767674
  2  Al  1.992598769705  8.046187054480  1.996876166679  0.065216961389  0.039069197998  0.118370322370  -0.002498190478  -0.004307051639  -0.002070396952
  3  Al  1.990038645928  2.008341315017  8.088835256792  0.021353140535  -0.022218775311  -0.184723769805  -0.002769958136  -0.001378944779  -0.001217069704
  4  Al  0.010140938088  8.058706045494  4.132119961109  0.120512620739  0.024489231896  -0.241446047745  0.001014764712  -0.003292608988  0.006238216352
  5  Al  0.007364126949  2.023901755785  6.106213255909  -0.013996758019  -0.044164263371  -0.089842515532  0.000564068443  -0.000154606096  0.002376237212
  6  Al  2.009506080317  8.092841418386  6.063138582549  -0.059375669021  0.193342748448  0.055692254872  -0.001359375378  -0.000251456465  -0.000876765331
  7  Al  2.020821852392  2.035911012578  4.082778060412  -0.026570896393  -0.078632071981  0.042169155372  -0.000381167062  0.000745606278  0.002717071322
  8  Al  8.077296253404  4.099566814534  8.028845430194  -0.005133826918  -0.138831646945  0.135507236913  -0.001835294298  0.003766896907  -0.005518199882
  9  Al  0.016621359478  6.068167905319  2.020373324701  -0.008920921448  -0.007325018486  0.091564423813  0.001341575692  -0.000558306943  -0.000216024250
  10  Al  2.056652059337  3.992841933471  2.017579357198  -0.082919633428  0.346589476632  0.157669062465  0.002429662370  -0.004022602553  -0.000351245454
  11  Al  2.036882153314  6.092696581510  0.060616723497  -0.108766959336  0.006002079113  0.100375468085  0.000770980639  0.001450820440  0.005075033050
  12  Al  8.071613240235  4.069412684167  4.005264371145  0.195028539074  -0.000242551129  0.172720627294  -0.001973071865  0.001586341279  -0.003316230668
  13  Al  0.004654243737  6.056077599017  6.026713431309  -0.022070462674  0.018524613213  0.099568767114  0.000357253705  -0.001489166578  -0.003733456752
  14  Al  2.015147641641  4.028324549482  6.095639710379  -0.097714333461  -0.136587701172  -0.119762474560  -0.000965908293  -0.001977966434  0.001475948696
  15  Al  2.074979331689  6.082369367938  3.995793098494  -0.221926623853  -0.084201681704  -0.009510116151  0.003665941320  0.000462152217  -0.004418183176
  16  Al  4.110803227384  0.065254987923  8.098620063006  -0.022136260783  -0.032863312427  0.164929958417  0.004854054855  0.005224926081  0.000159766921
  17  Al  3.979076417794  1.968891293385  2.016117472793  0.235350944351  0.101293608710  -0.016442835153  -0.005326885065  -0.004359939190  -0.000747231399
  18  Al  6.121891191440  8.044848583886  1.960510396143  -0.224228058910  -0.004620662242  0.108263996428  0.003411242960  -0.004473642255  -0.005037480094
  19  Al  6.094378341381  2.086973160676  8.021058741478  -0.174404130227  -0.216052538383  0.049585596102  0.001267482697  0.004660165433  -0.006319909704
  20  Al  4.068206075507  0.067474079125  4.056131940018  -0.097273426155  -0.220305062573  -0.043390589007  0.001313286342  0.005081870380  0.000420536285
  21  Al  4.064375473719  2.005983469407  6.089384720402  0.034021988765  0.091779424160  0.123341550098  0.001213343642  -0.001395027823  0.001365843331
  22  Al  6.075832689061  0.006675089888  6.082971787780  0.018581505497  0.209344699838  0.074661524241  0.000107182930  0.000890810807  0.000765393296
  23  Al  6.124212889879  2.034931724058  4.033544337585  -0.146948966443  -0.008993314417  0.222599457285  0.003725577459  0.000781008488  -0.000947652755
  24  Al  4.062956881888  4.042717872942  0.069163146286  0.088481252495  -0.072893362341  -0.223508785341  0.001189221424  -0.000704088298  0.005231556800
  25  Al  4.027160847807  6.137158133899  2.083840892277  0.071327088231  -0.110322849124  -0.136718591019  -0.001747499400  0.004820800676  0.004535394329
  26  Al  6.041978997291  4.097625255709  1.981963587781  0.015470701793  0.031226323250  0.102845507298  -0.002656527257  0.003909353198  -0.003322654710
  27  Al  6.049949420809  6.102620610971  0.056689922899  0.023625838886  -0.108931567776  -0.135380585266  -0.001968154197  0.002052660138  0.004382198320
  28  Al  4.063187850385  4.076411442971  4.096220336703  -0.034282295099  -0.002608983045  -0.192532450540  0.001004823877  0.002114687980  0.003391280701
  29  Al  3.996869011235  6.092669099309  6.157009951626  0.270503388941  -0.046812717320  -0.170413195692  -0.003828290153  0.001348296322  0.006309955096
  30  Al  6.090079600960  3.992791880859  6.087027427831  -0.014101887970  0.085606462973  -0.003091440784  0.001198361630  -0.004501922717  0.001003055307
  31  Al  6.127203632732  6.051825143021  4.043774829643  -0.112703091017  0.074535031306  -0.144397521314  0.004024017495  -0.001752469099  -0.000740783097


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)
  -80.742942171319  -0.144530008935  0.038820518146
  -0.144530008935  -80.975980769739  -0.741084486248
  0.038820518146  -0.741084486248  -77.934914606876
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.041270672202  8.082607942921  8.071239757521  0.174483148134  0.018577718634  -0.116604466905  -0.004266246987  -0.001319048038  -0.002426976137
  1  Al  8.073132851533  1.984997236882  1.970568298726  0.154678331378  0.099667382519  0.006632835669  -0.001818773114  -0.002936714203  -0.004206769446
  2  Al  1.991352589641  8.044035275040  1.995846259314  0.064363217008  0.045389461517  0.123872640944  -0.002486606103  -0.004299501095  -0.002048740605
  3  Al  1.988654621338  2.007650849456  8.088218464855  0.018492473491  -0.024698541447  -0.188646788042  -0.002766395967  -0.001383139154  -0.001250448763
  4  Al  0.010653707315  8.057060835660  4.135228276733  0.125777640740  0.026756874224  -0.252159197856  0.001036782884  -0.003288027623  0.006194088398
  5  Al  0.007645535521  2.023822478610  6.107397358587  -0.012198958235  -0.047920067524  -0.095713368286  0.000561726565  -0.000162838369  0.002359648650
  6  Al  2.008823738557  8.092724332505  6.062702689307  -0.061756838897  0.197948426943  0.057570814289  -0.001370204537  -0.000216475315  -0.000866639694
  7  Al  2.020630081152  2.036280300892  4.084138481019  -0.030019200445  -0.082719112872  0.041986518020  -0.000386226176  0.000731181598  0.002724594779
  8  Al  8.076378376775  4.101444057263  8.026092387378  -0.003489637471  -0.143730379759  0.141445094346  -0.001836065229  0.003741636066  -0.005493440543
  9  Al  0.017291748562  6.067888424422  2.020269405473  -0.009538510727  -0.006133846205  0.095096931992  0.001339925432  -0.000559510156  -0.000199336859
  10  Al  2.057863184045  3.990846124619  2.017410782222  -0.090424017224  0.356430548661  0.165552578821  0.002414165573  -0.003959753069  -0.000322349672
  11  Al  2.037262781790  6.093422260021  0.063158726769  -0.113909205497  0.006278629342  0.099220690597  0.000751073551  0.001451918326  0.005092876803
  12  Al  8.070635422008  4.070205843965  4.003613976361  0.204089478791  -0.003064090422  0.178334410827  -0.001937391001  0.001586045668  -0.003284846601
  13  Al  0.004831884047  6.055333843772  6.024851153621  -0.022912810305  0.020683953877  0.103014297543  0.000353232233  -0.001485661360  -0.003715345972
  14  Al  2.014660319699  4.027329460843  6.096372331388  -0.101928782194  -0.139176917486  -0.126314694559  -0.000983756244  -0.002002619593  0.001453949574
  15  Al  2.076802382309  6.082596680262  3.993583581807  -0.232442607905  -0.086041728426  -0.004494962612  0.003625321038  0.000446932579  -0.004419435220
  16  Al  4.113229265328  0.067865981985  8.098707318776  -0.024103942759  -0.037540307944  0.169780156388  0.004849921014  0.005218632048  0.000189689765
  17  Al  3.976423495364  1.966715851578  2.015743122105  0.241778637202  0.103656669579  -0.014649954816  -0.005284230024  -0.004341616782  -0.000750011072
  18  Al  6.123586790007  8.042611556217  1.957996495457  -0.229081308413  -0.000989026025  0.115877374485  0.003370717429  -0.004474143757  -0.005017442017
  19  Al  6.095004286927  2.089293585922  8.017901003085  -0.176690496528  -0.227911104731  0.057032535451  0.001236095090  0.004620475403  -0.006310378119
  20  Al  4.068858370591  0.070005166758  4.056340268617  -0.102818699572  -0.228952708333  -0.043893444813  0.001295398250  0.005041707059  0.000412733155
  21  Al  4.064983666310  2.005290058002  6.090073155391  0.033197172565  0.094390444501  0.125040299817  0.001219352986  -0.001378384370  0.001388048490
  22  Al  6.075887111113  0.007129852925  6.083357821771  0.020394546613  0.214124466331  0.075514722417  0.000110667361  0.000928668646  0.000778818944
  23  Al  6.126069110043  2.035321826305  4.033080461323  -0.149402679793  -0.010831567318  0.228147232785  0.003699083835  0.000779236158  -0.000907356325
  24  Al  4.063555447680  4.042362570486  0.071768933923  0.089428165491  -0.074675073907  -0.234645221692  0.001205126398  -0.000717280810  0.005190598162
  25  Al  4.026290286402  6.139563602846  2.086102478169  0.074872363561  -0.111923661712  -0.142528223529  -0.001734429274  0.004800931998  0.004510429865
  26  Al  6.040651425197  4.099581328114  1.980306857583  0.021461951505  0.029099916165  0.110564040880  -0.002653225504  0.003914746320  -0.003303576050
  27  Al  6.048966399777  6.103642071838  0.058874970595  0.025725065082  -0.111539181113  -0.145326934733  -0.001963742261  0.002032950212  0.004357103270
  28  Al  4.063688729917  4.077468670341  4.097907370922  -0.037183106936  -0.001954258642  -0.197117465734  0.000998434921  0.002114280029  0.003356446278
  29  Al  3.994966957563  6.093341154959  6.160157311766  0.277107310064  -0.046618646448  -0.176051956880  -0.003779334151  0.001339943625  0.006278981360
  30  Al  6.090678151425  3.990544746079  6.087528817298  -0.013107274760  0.093422487650  -0.008785285695  0.001195929150  -0.004485917658  0.001001993536
  31  Al  6.129210603692  6.050952240160  4.043397983577  -0.114841423965  0.079993240373  -0.147751209122  0.004003675179  -0.001738654383  -0.000766900983


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)
  -80.539501795954  -0.151992092233  0.044769720112
  -0.151992092233  -80.790643496023  -0.791521707548
  0.044769720112  -0.791521707548  -77.538511866911
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.039145348042  8.081949249320  8.070021057275  0.180454925195  0.019767029114  -0.118809954290  -0.004234515779  -0.001315620045  -0.002448022017
  1  Al  8.072230379042  1.983533334877  1.968465210488  0.158628067920  0.104442651820  0.006106335220  -0.001790763748  -0.002918466913  -0.004205630573
  2  Al  1.990112163603  8.041887553385  1.994827426074  0.066541608636  0.052607099752  0.126917249824  -0.002474903306  -0.004290740273  -0.002026320169
  3  Al  1.987272249962  2.006958175863  8.087584808030  0.018969494707  -0.024990542708  -0.191317544029  -0.002763046894  -0.001387581322  -0.001284417301
  4  Al  0.011177720972  8.055418017871  4.138314049507  0.128798913935  0.029546150687  -0.263736799078  0.001059541845  -0.003282994173  0.006147967667
  5  Al  0.007925853514  2.023738917415  6.108572904559  -0.012851576716  -0.049522482572  -0.098877492671  0.000559487065  -0.000171549663  0.002342252367
  6  Al  2.008135875780  8.092624943071  6.062271942855  -0.060375106898  0.202536702738  0.061976646798  -0.001381123046  -0.000180672233  -0.000855952237
  7  Al  2.020435626217  2.036642194176  4.085502655191  -0.029781801466  -0.084542209270  0.040681340625  -0.000391572342  0.000716228556  0.002731985226
  8  Al  8.075460188174  4.103308450599  8.023351989651  -0.004628448766  -0.149029602994  0.148295940102  -0.001836790980  0.003715463534  -0.005467537903
  9  Al  0.017961284910  6.067608395163  2.020173987843  -0.012796805598  -0.006984002309  0.095749255037  0.001337928671  -0.000560682882  -0.000182275347
  10  Al  2.059066224910  3.988882180402  2.017257007527  -0.094291257177  0.365213220257  0.170985722654  0.002397652160  -0.003895238635  -0.000292263390
  11  Al  2.037633226864  6.094148499837  0.065709600300  -0.115545883163  0.004283172656  0.097984240737  0.000730560431  0.001452862544  0.005110506782
  12  Al  8.069675849234  4.070998729835  4.001979524545  0.210528152606  -0.006551246557  0.182922583684  -0.001900324483  0.001585186064  -0.003252550485
  13  Al  0.005007475970  6.054591937657  6.022998085337  -0.026327389229  0.020410289475  0.109316329453  0.000348830195  -0.001481987564  -0.003696363766
  14  Al  2.014163885397  4.026321929889  6.097093659953  -0.102251260064  -0.141731985949  -0.130398428785  -0.001002009793  -0.002027732646  0.001430999606
  15  Al  2.078604652727  6.082816300517  3.991373663273  -0.239137783702  -0.090025717173  0.000231481956  0.003583162090  0.000431192276  -0.004419816372
  16  Al  4.115653148398  0.070473619971  8.098809752771  -0.023789558315  -0.041954739965  0.175059549761  0.004845639369  0.005211525248  0.000220518186
  17  Al  3.973792187770  1.964549676602  2.015367461721  0.250571130032  0.108575467417  -0.015234392662  -0.005240214309  -0.004322643382  -0.000752682711
  18  Al  6.125261908869  8.040374440129  1.955492954126  -0.237031153378  0.003343218137  0.120911642264  0.003329047310  -0.004473933294  -0.004996273249
  19  Al  6.095614436471  2.091593636079  8.014748363359  -0.182103981888  -0.237571178159  0.066002268607  0.001204019122  0.004578861622  -0.006299378896
  20  Al  4.069501473758  0.072515786184  4.056544673173  -0.106152741291  -0.237035226872  -0.044885962673  0.001276716354  0.005000048073  0.000404796340
  21  Al  4.065594826705  2.004605085036  6.090772768892  0.034690227311  0.099462184774  0.128941763446  0.001225422071  -0.001361054085  0.001410754303
  22  Al  6.075943356423  0.007603758534  6.083750606724  0.018557683520  0.218902007422  0.079042113423  0.000114149663  0.000967380901  0.000792636214
  23  Al  6.127911973714  2.035710960217  4.032636981260  -0.155484248562  -0.010234019177  0.232568294141  0.003671827163  0.000777352910  -0.000866168689
  24  Al  4.064162008286  4.042000592132  0.074353744447  0.092833112734  -0.076832762783  -0.245319241504  0.001221420425  -0.000730825502  0.005147689684
  25  Al  4.025426418533  6.141959065897  2.088351322141  0.081307735551  -0.115759983998  -0.150900252658  -0.001720466886  0.004780577244  0.004484197570
  26  Al  6.039325771787  4.101540002030  1.978660011731  0.024222050919  0.026144716076  0.115727971126  -0.002649141388  0.003919685151  -0.003283345707
  27  Al  6.047985678547  6.104653561183  0.061047026168  0.024503316978  -0.116487426444  -0.155161364097  -0.001959251880  0.002012564797  0.004330239832
  28  Al  4.064186285307  4.078525723001  4.099576782981  -0.037659385095  -0.001772229656  -0.201997153189  0.000991744057  0.002113946884  0.003320765719
  29  Al  3.993089677084  6.094009042934  6.163288932987  0.286243584460  -0.048784286099  -0.179085773123  -0.003728970987  0.001331414671  0.006247232303
  30  Al  6.091275530110  3.988305963201  6.088029421367  -0.015833269472  0.101597655663  -0.012207610225  0.001193341886  -0.004468482997  0.001000116787
  31  Al  6.131207307912  6.050086488638  4.043007928659  -0.120808353723  0.082978076700  -0.151488759873  0.003982608259  -0.001724084864  -0.000793652821


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)
  -80.329613983437  -0.160194379002  0.050445250849
  -0.160194379002  -80.598012280376  -0.842605800867
  0.050445250849  -0.842605800867  -77.130526607439
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.037036156423  8.081292322876  8.068791735504  0.188426092549  0.020801611470  -0.120811396974  -0.004201538082  -0.001311993238  -0.002469443993
  1  Al  8.071342087785  1.982078769969  1.966362668153  0.164306587013  0.107878714377  0.007659729052  -0.001761893622  -0.002899485535  -0.004204399897
  2  Al  1.988877686336  8.039744534767  1.993819939145  0.066321624520  0.060233049094  0.131748526724  -0.002463025428  -0.004280652445  -0.002003195635
  3  Al  1.985891574444  2.006263268134  8.086934047554  0.016973683963  -0.026714238997  -0.193513160112  -0.002759833600  -0.001392203692  -0.001318820889
  4  Al  0.011713249160  8.053777841486  4.141376244400  0.133322466073  0.032470403374  -0.275710872487  0.001082975308  -0.003277449938  0.006099741433
  5  Al  0.008205022586  2.023650928947  6.109739610954  -0.011473821032  -0.052436851398  -0.104062001160  0.000557312392  -0.000180664754  0.002324109722
  6  Al  2.007442615511  8.092543660272  6.061846737070  -0.061122390211  0.206640312066  0.064681256829  -0.001391984834  -0.000144092102  -0.000844629112
  7  Al  2.020238508810  2.036996529448  4.086870466245  -0.032168605945  -0.087713725096  0.038958136892  -0.000397110664  0.000700828999  0.002739104938
  8  Al  8.074541585794  4.105159520796  8.020624849475  -0.003704844890  -0.154081061230  0.155339830222  -0.001837535971  0.003688365658  -0.005440393084
  9  Al  0.018629677233  6.067327741539  2.020087130127  -0.014323059201  -0.006532405047  0.098119955823  0.001335504174  -0.000561891240  -0.000164943579
  10  Al  2.060260836205  3.986950885983  2.017118518832  -0.100966748856  0.373756973060  0.178144353230  0.002380196235  -0.003829175232  -0.000261051412
  11  Al  2.037993342220  6.094875122565  0.068269233551  -0.119354231719  0.003483240221  0.096415308342  0.000709560530  0.001453556856  0.005127885962
  12  Al  8.068735097525  4.071791030028  4.000361425876  0.218900586022  -0.010217685553  0.187255669312  -0.001861933863  0.001583686933  -0.003219456816
  13  Al  0.005180714242  6.053851856207  6.021154789855  -0.027922118887  0.021613340655  0.113869384161  0.000343980328  -0.001478230682  -0.003676411124
  14  Al  2.013658309906  4.025301728197  6.097803330993  -0.104937296999  -0.143803241634  -0.136273309191  -0.001020532300  -0.002053259290  0.001407159344
  15  Al  2.080385544399  6.083027872538  3.989163765434  -0.248237102064  -0.092653813538  0.005454344438  0.003539591126  0.000414860857  -0.004419308064
  16  Al  4.118074904698  0.073077507233  8.098927836963  -0.025282779532  -0.047016032179  0.180260947453  0.004841252338  0.005203571325  0.000252283583
  17  Al  3.971183281055  1.962393208195  2.014990439394  0.257288877582  0.111927019983  -0.013871776619  -0.005194811990  -0.004302930618  -0.000755284782
  18  Al  6.126915837317  8.038137622923  1.953000222208  -0.242248758421  0.008136779422  0.128068329489  0.003286200031  -0.004472906990  -0.004974014619
  19  Al  6.096208306049  2.093872447544  8.011601624188  -0.184811393532  -0.248783978824  0.075715018009  0.001171217151  0.004535381821  -0.006286709473
  20  Al  4.070135086946  0.075005214831  4.056745064957  -0.111170030070  -0.245393500270  -0.045844697204  0.001257287855  0.004956919292  0.000396685084
  21  Al  4.066209088381  2.003929003918  6.091483909694  0.034167265333  0.102960254014  0.130788438742  0.001231577881  -0.001342957665  0.001433973997
  22  Al  6.076001260776  0.008097233826  6.084150457985  0.018967967854  0.222940775738  0.080489127720  0.000117504429  0.001006881328  0.000806898192
  23  Al  6.129740937206  2.036099179215  4.032214292635  -0.158803360839  -0.011113382808  0.236308120970  0.003643730077  0.000775444468  -0.000824251475
  24  Al  4.064776868105  4.041631744984  0.076916623607  0.094197314086  -0.078462133961  -0.255935243988  0.001238140810  -0.000744708754  0.005102877894
  25  Al  4.024569819517  6.144344180090  2.090586675739  0.085887644834  -0.118006174041  -0.157675689853  -0.001705519739  0.004759678718  0.004456611103
  26  Al  6.038002283810  4.103501013264  1.977023511876  0.029737271221  0.022797428672  0.122918600701  -0.002644317463  0.003924060543  -0.003262010875
  27  Al  6.047007147897  6.105654636635  0.063205210427  0.025460972936  -0.120020939271  -0.165321048668  -0.001954785109  0.001991421120  0.004301588935
  28  Al  4.064680473974  4.079582617225  4.101228136640  -0.039973517526  -0.001349171090  -0.206827465688  0.000984803731  0.002113667833  0.003284217092
  29  Al  3.991237986576  6.094672569630  6.166404544068  0.293091625369  -0.049402775203  -0.183701953442  -0.003677178836  0.001322636819  0.006214799341
  30  Al  6.091871493312  3.986076263081  6.088528934085  -0.016208107806  0.110368853266  -0.017760853646  0.001190477410  -0.004449533344  0.000997437627
  31  Al  6.133193211951  6.049228155296  4.042604330756  -0.124341811825  0.087692354728  -0.154885609078  0.003960692011  -0.001708827051  -0.000821042469


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)
  -80.109496848619  -0.167087253235  0.058064714727
  -0.167087253235  -80.398594915058  -0.893987570122
  0.058064714727  -0.893987570122  -76.714644543745
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.034943809960  8.080637256082  8.067551613282  0.193276449625  0.021800236253  -0.123926430695  -0.004248646634  -0.001333684190  -0.002539885000
  1  Al  8.070468485420  1.980633849341  1.964260810591  0.166793101721  0.113587056729  0.007224032246  -0.001766059933  -0.002935818369  -0.004284996785
  2  Al  1.987649138174  8.037606900940  1.992824230439  0.069668176427  0.068387191947  0.134826828922  -0.002498641092  -0.004352369514  -0.002017946346
  3  Al  1.984512416362  2.005565972171  8.086265987141  0.018870271488  -0.026100442982  -0.196503202366  -0.002810362217  -0.001424154573  -0.001380074564
  4  Al  0.012260696280  8.052140567933  4.144413790940  0.135261048397  0.035656758413  -0.286243673478  0.001128564193  -0.003335125736  0.006167421827
  5  Al  0.008483165907  2.023558252661  6.110897014280  -0.013087493032  -0.053159865203  -0.107497820391  0.000565937128  -0.000193810609  0.002350130005
  6  Al  2.006743890945  8.092480850969  6.061427313743  -0.057567651989  0.210007812796  0.069210714026  -0.001429935453  -0.000108926696  -0.000848889710
  7  Al  2.020038515553  2.037343023176  4.088241760128  -0.030528416285  -0.088814648900  0.038278356039  -0.000410565588  0.000698400641  0.002799535870
  8  Al  8.073622652203  4.106996816258  8.017911596568  -0.005785122200  -0.159210889381  0.161208623801  -0.001874218706  0.003731706370  -0.005517588034
  9  Al  0.019296789084  6.067046503924  2.020009044264  -0.018718876818  -0.008341180274  0.098441766019  0.001358524718  -0.000574199398  -0.000150243704
  10  Al  2.061446421145  3.985053005170  2.016995956114  -0.103825259881  0.381651814450  0.183357013060  0.002407926604  -0.003834965287  -0.000233191991
  11  Al  2.038342787394  6.095602056692  0.070837486262  -0.119054860806  0.000382238926  0.092337432660  0.000701662444  0.001482242328  0.005245043530
  12  Al  8.067813915371  4.072582416768  3.998760067729  0.224071585543  -0.014149078291  0.192724416650  -0.001857853920  0.001612335800  -0.003247579334
  13  Al  0.005351456297  6.053113706975  6.019321674213  -0.032427812137  0.020435195917  0.120593802816  0.000345184889  -0.001503212415  -0.003726703416
  14  Al  2.013143353097  4.024268670599  6.098500819297  -0.103222989066  -0.145197670106  -0.140185289905  -0.001059396941  -0.002119622121  0.001409391160
  15  Al  2.082144243853  6.083231161374  3.986954355210  -0.253258682324  -0.097313402423  0.012730766267  0.003562878629  0.000405633481  -0.004503793115
  16  Al  4.120494400735  0.075677191295  8.099062036354  -0.024122153676  -0.052189612295  0.183716797866  0.004931116620  0.005295959106  0.000290374785
  17  Al  3.968597375780  1.960246745984  2.014612176939  0.267161182738  0.117575837820  -0.014246243180  -0.005248271457  -0.004365887309  -0.000772569748
  18  Al  6.128548108900  8.035901533139  1.950518939507  -0.251296430833  0.013623223327  0.133227477524  0.003305272990  -0.004558110985  -0.005047154611
  19  Al  6.096785653622  2.096129017900  8.008461653886  -0.191126874905  -0.257881386093  0.085125302611  0.001159783147  0.004577608408  -0.006394592608
  20  Al  4.070758761612  0.077472705476  4.056941358257  -0.113519378543  -0.253394220188  -0.045110460327  0.001261316671  0.005008080598  0.000396127565
  21  Al  4.066826404586  2.003262127372  6.092206742889  0.036295563910  0.108775734108  0.134202594685  0.001262006281  -0.001349836982  0.001486077228
  22  Al  6.076060860852  0.008610639862  6.084557504916  0.015252142825  0.226454751792  0.083826560984  0.000122913746  0.001067466513  0.000837602534
  23  Al  6.131555703792  2.036486404684  4.031812729785  -0.166101488456  -0.009570790334  0.240875494353  0.003685142317  0.000788674469  -0.000796826621
  24  Al  4.065400149096  4.041255883378  0.079456622341  0.098104618429  -0.080090675683  -0.268355734903  0.001279801781  -0.000773675641  0.005154559853
  25  Al  4.023720898794  6.146718744615  2.092807933244  0.093782649274  -0.122295709391  -0.166302438133  -0.001722388752  0.004830554236  0.004513952726
  26  Al  6.036681454324  4.105464062573  1.975398000855  0.031803653786  0.018656023407  0.128413711636  -0.002690252335  0.004004327652  -0.003302688069
  27  Al  6.046030893439  6.106644982302  0.065348615103  0.022546774590  -0.125777911276  -0.177744621503  -0.001988512849  0.002007835928  0.004354169145
  28  Al  4.065171089037  4.080639390834  4.102861000073  -0.039321438861  -0.001142649325  -0.209765749111  0.000996772729  0.002154640970  0.003310264947
  29  Al  3.989412498249  6.095331679753  6.169503732328  0.302689183793  -0.052258905903  -0.186269045967  -0.003694554925  0.001339152415  0.006302220219
  30  Al  6.092466007520  3.983856429857  6.089026858995  -0.020582641032  0.120021372318  -0.021895249576  0.001210329375  -0.004515266782  0.001013265649
  31  Al  6.135167999922  6.048377661587  4.042186886190  -0.132028831700  0.089873789847  -0.156275732630  0.004014528903  -0.001725952307  -0.000865406304


MDSTEP:  31
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -79.879086230729  -0.175004528269  0.065167289849
  -0.175004528269  -80.188056558055  -0.947012351100
  0.065167289849  -0.947012351100  -76.279756455413
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.032828126031  8.079971388450  8.066276131314  0.201410271776  0.022567366612  -0.125585375359  -0.004213361925  -0.001329717758  -0.002562191176
  1  Al  8.069592911045  1.979171017457  1.962118635111  0.172533054400  0.117209253339  0.009358998635  -0.001735724418  -0.002915185345  -0.004283514274
  2  Al  1.986402931771  8.035433773065  1.991821283977  0.068791034713  0.077265140540  0.139912223646  -0.002486262938  -0.004339348301  -0.001993384872
  3  Al  1.983108078748  2.004852728204  8.085567166236  0.016045608651  -0.027711512587  -0.197548334738  -0.002807240763  -0.001428965323  -0.001415302488
  4  Al  0.012831024497  8.050474598909  4.147484706865  0.139438162623  0.038936668263  -0.298523732991  0.001153122105  -0.003328457137  0.006115144042
  5  Al  0.008765549464  2.023458971130  6.112067274169  -0.011514343444  -0.056061357891  -0.113447735534  0.000563737742  -0.000203574907  0.002330377631
  6  Al  2.006026349966  8.092435774895  6.061005962582  -0.057953706782  0.212644899898  0.071711746792  -0.001440262979  -0.000071141848  -0.000836291343
  7  Al  2.019831868149  2.037688253513  4.089643239092  -0.033316536509  -0.091740515669  0.035652167991  -0.000416273281  0.000682259139  0.002806145206
  8  Al  8.072685284258  4.108855552773  8.015160008518  -0.004437511346  -0.164092646632  0.168492468756  -0.001875132602  0.003702803266  -0.005488112994
  9  Al  0.019975214716  6.066759031377  2.019938322723  -0.020531079082  -0.007913141709  0.100773988968  0.001355015800  -0.000575652523  -0.000132433959
  10  Al  2.062645743495  3.983152582225  2.016887556111  -0.111242051102  0.389262113842  0.190907851879  0.002388699742  -0.003766046136  -0.000199732982
  11  Al  2.038688296906  6.096343194942  0.073464135477  -0.122673469950  -0.000867015100  0.089098754036  0.000680052105  0.001482198989  0.005261263794
  12  Al  8.066895004331  4.073387952209  3.997144892774  0.232532373396  -0.018400890090  0.196811685008  -0.001817033854  0.001609425857  -0.003212755086
  13  Al  0.005522599230  6.052363014214  6.017463713005  -0.033953007860  0.021629095929  0.125176532268  0.000339250492  -0.001499451897  -0.003704731725
  14  Al  2.012609040596  4.023202369254  6.099199248645  -0.105718481072  -0.145861890407  -0.146548760843  -0.001078076158  -0.002145642636  0.001383757342
  15  Al  2.083914362595  6.083429628241  3.984703027713  -0.262503186074  -0.100220227555  0.019663836790  0.003516769889  0.000387974116  -0.004500897061
  16  Al  4.122958880794  0.078322837992  8.099215435821  -0.025653532076  -0.058693935061  0.188296595840  0.004926666709  0.005286046197  0.000323632515
  17  Al  3.965985182060  1.958069057927  2.014225255264  0.273413481208  0.120887972610  -0.011956397350  -0.005199944471  -0.004344568816  -0.000774912245
  18  Al  6.130189512535  8.033623086600  1.948001317422  -0.255733779532  0.019488755070  0.141268231620  0.003259944855  -0.004555150798  -0.005022614892
  19  Al  6.097357001893  2.098406294899  8.005268162652  -0.192843195562  -0.269604081129  0.096348506586  0.001125456499  0.004530451587  -0.006378368980
  20  Al  4.071384345673  0.079965419144  4.057137405618  -0.118537969561  -0.261840651320  -0.045513356823  0.001240570911  0.004962018971  0.000388025861
  21  Al  4.067459030125  2.002592071117  6.092955780310  0.035524596651  0.112419830229  0.134955812782  0.001268426951  -0.001330062258  0.001510139796
  22  Al  6.076122999490  0.009154495565  6.084980053200  0.015569563334  0.229126229872  0.084755462775  0.000125669184  0.001108195125  0.000852673645
  23  Al  6.133390850273  2.036880314108  4.031425083523  -0.168759854825  -0.010544342192  0.243708411836  0.003655205954  0.000786876191  -0.000753505168
  24  Al  4.066044435228  4.040865465533  0.082021906863  0.098895554690  -0.080687725117  -0.279677773796  0.001297413455  -0.000788049114  0.005105566052
  25  Al  4.022863896469  6.149128555159  2.095057475948  0.098838363991  -0.124550429269  -0.173257252616  -0.001705168572  0.004808486369  0.004483596334
  26  Al  6.035337749768  4.107467060316  1.973752396867  0.038435306598  0.014612046724  0.136564934845  -0.002683973023  0.004007301793  -0.003278999169
  27  Al  6.045037644847  6.107643278039  0.067517754555  0.023397047435  -0.129165567779  -0.189377784938  -0.001984405505  0.001985044164  0.004321348666
  28  Al  4.065667717748  4.081716660243  4.104506756093  -0.041944059794  -0.000430614436  -0.213924970240  0.000989507652  0.002154500321  0.003272387302
  29  Al  3.987578750884  6.095998920007  6.172646516278  0.308894723045  -0.052803191853  -0.190647901329  -0.003639879764  0.001329759939  0.006268524116
  30  Al  6.093070252171  3.981604161378  6.089532513109  -0.020990875687  0.130401904368  -0.028667814571  0.001206612732  -0.004492879122  0.001008745347
  31  Al  6.137169362733  6.047518702760  4.041747197569  -0.135412502250  0.094738458500  -0.158781019923  0.003990619841  -0.001709448105  -0.000893572151


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)
  -79.638105208702  -0.181196121503  0.074310464962
  -0.181196121503  -79.970197736223  -0.999774531787
  0.074310464962  -0.999774531787  -75.837310197451
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.030730448036  8.079307538324  8.064989422105  0.207595635234  0.023814204297  -0.127250517514  -0.004176797091  -0.001325571279  -0.002584794523
  1  Al  8.068732761001  1.977718663996  1.959977296318  0.176050228254  0.122695425464  0.009754587868  -0.001704561324  -0.002893738040  -0.004281805533
  2  Al  1.985162875237  8.033267552639  1.990830845567  0.069915581120  0.087273990453  0.143698051139  -0.002473862666  -0.004324638621  -0.001968030318
  3  Al  1.981705175599  2.004137006848  8.084850684653  0.015743178937  -0.027496517697  -0.198485194294  -0.002804398868  -0.001433900881  -0.001450707600
  4  Al  0.013413818385  8.048812110795  4.150528934982  0.142209883888  0.042938382613  -0.310665767910  0.001178301237  -0.003321137567  0.006060682939
  5  Al  0.009046903648  2.023354677754  6.113227391912  -0.011819407437  -0.056997251940  -0.117664199909  0.000561651721  -0.000213682266  0.002309716391
  6  Al  2.005303627966  8.092409709121  6.060591022400  -0.055526220018  0.215332964076  0.075777621452  -0.001450408003  -0.000032880935  -0.000823105900
  7  Al  2.019622242271  2.038025282315  4.091047905334  -0.033465379721  -0.093091819136  0.033060968187  -0.000422243536  0.000665735261  0.002812288111
  8  Al  8.071747519602  4.110699619524  8.012423483574  -0.005422531606  -0.169546498609  0.175626238215  -0.001876014083  0.003672976167  -0.005457349029
  9  Al  0.020651804884  6.066470851401  2.019876610305  -0.024337811410  -0.009370957878  0.101254497637  0.001351004553  -0.000577197709  -0.000114372758
  10  Al  2.063835120886  3.981286959033  2.016796223133  -0.116367805454  0.395685517355  0.196864692501  0.002368351584  -0.003695872383  -0.000165066395
  11  Al  2.039022839499  6.097084255682  0.076098750056  -0.123945115647  -0.003934408154  0.084434189737  0.000658004581  0.001481769746  0.005276777515
  12  Al  8.065996881517  4.074191842625  3.995547312642  0.238768600610  -0.023310056965  0.200994278005  -0.001774899887  0.001605696928  -0.003177191520
  13  Al  0.005690706789  6.051614255078  6.015616942488  -0.037462949459  0.020641320126  0.131741288936  0.000332865956  -0.001495672952  -0.003681763456
  14  Al  2.012065276938  4.022123027962  6.099884576639  -0.105352759615  -0.146521489466  -0.151263086405  -0.001096945775  -0.002171781500  0.001357133177
  15  Al  2.085661013742  6.083619135491  3.982453458149  -0.269112445700  -0.104685252664  0.027560763969  0.003469243834  0.000369655714  -0.004496675215
  16  Al  4.125421067445  0.080963237492  8.099385668869  -0.025590176173  -0.064559290836  0.192088232157  0.004922085559  0.005275027447  0.000357638645
  17  Al  3.963397431309  1.955902177168  2.013837264694  0.281753382161  0.126345062764  -0.011165408514  -0.005150312953  -0.004322466361  -0.000776979318
  18  Al  6.131808053754  8.031346382341  1.945496324616  -0.262234796605  0.026447620750  0.147558250670  0.003213638837  -0.004551044119  -0.004996794012
  19  Al  6.097911110121  2.100659469487  8.002083284906  -0.196693806497  -0.279294357133  0.108348993964  0.001090632171  0.004481380462  -0.006360069171
  20  Al  4.071999332524  0.082434724446  4.057329384118  -0.122076767555  -0.269560118586  -0.045196537068  0.001219060127  0.004914512124  0.000379916461
  21  Al  4.068094831538  2.001932065114  6.093716882684  0.036327410290  0.118063614415  0.137034335271  0.001274850469  -0.001309457204  0.001534455519
  22  Al  6.076186530036  0.009718834987  6.085410178562  0.013153590089  0.231793090938  0.087319623386  0.000128237013  0.001149400980  0.000868057034
  23  Al  6.135210909745  2.037273280875  4.031059224617  -0.174069270072  -0.009188575985  0.246318295155  0.003624557277  0.000785112082  -0.000709697133
  24  Al  4.066697562551  4.040467834264  0.084562188393  0.101615703892  -0.082004768380  -0.291782943200  0.001315339017  -0.000802593706  0.005054477875
  25  Al  4.022015730222  6.151527230984  2.097291529578  0.106183561079  -0.128489607642  -0.181659478496  -0.001686839760  0.004785864772  0.004451867034
  26  Al  6.033997481301  4.109471364366  1.972119001686  0.043116753447  0.009130163604  0.143094132958  -0.002676682327  0.004009424330  -0.003253997850
  27  Al  6.044046487934  6.108630026466  0.069669963769  0.022090418192  -0.134817062708  -0.202222236543  -0.001980338958  0.001961444307  0.004286339906
  28  Al  4.066160596689  4.082793891155  4.106133387375  -0.042450972103  -0.000443814469  -0.217193834450  0.000981962797  0.002154422148  0.003233845591
  29  Al  3.985772618485  6.096661439693  6.175772256443  0.316968797309  -0.055339984129  -0.193591621834  -0.003583928016  0.001320092017  0.006234173379
  30  Al  6.093672620252  3.979363550736  6.090035604342  -0.023976290082  0.141185959476  -0.034125812091  0.001202592700  -0.004468599362  0.001003131642
  31  Al  6.139158619763  6.046668213482  4.041293314039  -0.141588219345  0.097304516046  -0.160262402977  0.003965856175  -0.001692279601  -0.000922094403


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)
  -79.389663015516  -0.188093400461  0.083363865896
  -0.188093400461  -79.745062779946  -1.052965115424
  0.083363865896  -1.052965115424  -75.385289979853
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.028651328940  8.078645817170  8.063691336791  0.216485675693  0.024108538413  -0.128730043867  -0.004138884527  -0.001321287021  -0.002607679001
  1  Al  8.067888349721  1.976277279417  1.957836829578  0.182240397960  0.125189176494  0.012516391600  -0.001672530400  -0.002871577335  -0.004279814523
  2  Al  1.983929069105  8.031109134445  1.989853253659  0.068120950077  0.097278712732  0.149011201587  -0.002461522300  -0.004308139742  -0.001941862321
  3  Al  1.980303679880  2.003418827323  8.084116458636  0.012425952863  -0.030247888232  -0.198530127875  -0.002801880568  -0.001439063189  -0.001486200485
  4  Al  0.014009325734  8.047153461342  4.153545389804  0.146844229084  0.046723077385  -0.323211853036  0.001204142467  -0.003313121897  0.006004014736
  5  Al  0.009327201185  2.023245288865  6.114376990560  -0.009443514356  -0.060936466042  -0.124148955088  0.000559750831  -0.000224225455  0.002288098469
  6  Al  2.004575941963  8.092402893960  6.060182856683  -0.055611189775  0.216468640736  0.078310560908  -0.001460343607  0.000005721818  -0.000809330527
  7  Al  2.019409624613  2.038353988775  4.092455527203  -0.036915442107  -0.097023506659  0.029719038113  -0.000428535531  0.000648739088  0.002817900598
  8  Al  8.070809270175  4.112528528940  8.009702659489  -0.003226825669  -0.173833729712  0.183157419995  -0.001876787329  0.003642278222  -0.005425274028
  9  Al  0.021326219270  6.066181833668  2.019823949966  -0.025544516391  -0.007942172662  0.103233735437  0.001346545109  -0.000578745490  -0.000096091657
  10  Al  2.065014095079  3.979456709842  2.016722489716  -0.124787627270  0.402270495436  0.204427158646  0.002346792462  -0.003624535690  -0.000129191192
  11  Al  2.039346301487  6.097824964688  0.078740912991  -0.127666841779  -0.004403512333  0.079338079119  0.000635510653  0.001481024342  0.005291418638
  12  Al  8.065120104444  4.074993649138  3.993967701254  0.248047502734  -0.028020754512  0.204823443297  -0.001731378877  0.001601107990  -0.003140911707
  13  Al  0.005855465186  6.050867341261  6.013781949549  -0.038218898131  0.022939767045  0.136739420041  0.000326100054  -0.001491776835  -0.003657761474
  14  Al  2.011512094820  4.021030587754  6.100556381822  -0.107715718176  -0.145757418503  -0.157900043034  -0.001115993944  -0.002197911024  0.001329494216
  15  Al  2.087383606429  6.083799283954  3.980206352498  -0.278530777038  -0.106522016992  0.036186045488  0.003420284924  0.000350773936  -0.004490976296
  16  Al  4.127880966352  0.083597865439  8.099573074466  -0.028031342229  -0.072256989412  0.195727466580  0.004917291833  0.005262796170  0.000392309089
  17  Al  3.960834869107  1.953746591566  2.013448275946  0.286909845363  0.128612723704  -0.008358592225  -0.005099474870  -0.004299673318  -0.000778724749
  18  Al  6.133403151371  8.029072042481  1.943004523410  -0.265401682979  0.033456090538  0.156120012923  0.003166468515  -0.004545688770  -0.004969645394
  19  Al  6.098447634064  2.102887675360  7.998908093482  -0.197216840833  -0.292273690900  0.121029167356  0.001055416843  0.004430282690  -0.006339562928
  20  Al  4.072603405800  0.084879931268  4.057517322080  -0.127884301155  -0.278330001903  -0.044795659418  0.001196713787  0.004865531142  0.000371871224
  21  Al  4.068733880594  2.001282613913  6.094490235829  0.034309756518  0.120501555806  0.136982457758  0.001281165381  -0.001288129649  0.001558952423
  22  Al  6.076251236503  0.010303896545  6.085848110235  0.013545833955  0.232797615201  0.087905895543  0.000130623923  0.001190935055  0.000883722070
  23  Al  6.137015407550  2.037665426190  4.030715386390  -0.175713440673  -0.011227248280  0.248091856584  0.003593286954  0.000783286922  -0.000665497221
  24  Al  4.067359774245  4.040062871827  0.087076384738  0.101203067311  -0.081608250727  -0.303667412382  0.001333470869  -0.000817220592  0.005001245042
  25  Al  4.021177056709  6.153914419931  2.099509342982  0.110846247704  -0.129426704440  -0.188824177156  -0.001667437451  0.004762807239  0.004418746062
  26  Al  6.032661067440  4.111476484646  1.970498399018  0.050957055673  0.004120316488  0.151530007117  -0.002668272197  0.004010608913  -0.003227658664
  27  Al  6.043057305889  6.109604722346  0.071804094461  0.023174020766  -0.137201704773  -0.215450281207  -0.001976292350  0.001937126025  0.004249000284
  28  Al  4.066649680544  4.083871082391  4.107740601684  -0.046030677606  0.000493058046  -0.220447883359  0.000974052601  0.002154426551  0.003194720736
  29  Al  3.983994822868  6.097319012024  6.178880689657  0.321814075160  -0.054654149835  -0.197761811476  -0.003526821286  0.001310258621  0.006199186663
  30  Al  6.094272844871  3.977135562016  6.090535644752  -0.024203285380  0.153150868839  -0.041640280498  0.001198285481  -0.004442285862  0.000996358208
  31  Al  6.141135218908  6.045826423158  4.040825103166  -0.144781689312  0.103555569055  -0.161382237474  0.003940254912  -0.001674322854  -0.000950849203


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)
  -79.130309963377  -0.193619439742  0.094326190677
  -0.193619439742  -79.513207300194  -1.105186145080
  0.094326190677  -1.105186145080  -74.927804826751
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.026591563509  8.077986251303  8.062381743104  0.221428249165  0.025520006555  -0.130514009718  -0.004193349033  -0.001346919332  -0.002690928399
  1  Al  8.067060230602  1.974847086661  1.955697481794  0.184320472829  0.130767516396  0.012573717242  -0.001677202540  -0.002913742328  -0.004375245907
  2  Al  1.982701352937  8.028959412897  1.988888983245  0.070804238915  0.108819403002  0.152333787127  -0.002505025497  -0.004387666420  -0.001958647790
  3  Al  1.978903295032  2.002697943658  8.083364484168  0.013902057992  -0.029935547947  -0.199026849076  -0.002863451491  -0.001477426089  -0.001556489370
  4  Al  0.014617960852  8.045498988898  4.156532949718  0.148368813252  0.051619153684  -0.334767568598  0.001258632423  -0.003379781521  0.006080944852
  5  Al  0.009606654479  2.023130452299  6.115515490381  -0.010802600338  -0.061652885128  -0.128216174157  0.000570680910  -0.000240555085  0.002317268672
  6  Al  2.003843284359  8.092415430940  6.059781691873  -0.050224904366  0.218031646745  0.082748916569  -0.001503366934  0.000045583451  -0.000813083467
  7  Al  2.019193706740  2.038674021403  4.093865805933  -0.034883747232  -0.098226257521  0.027039308088  -0.000444886110  0.000645698688  0.002887434793
  8  Al  8.069870732273  4.114341897745  8.006998209546  -0.005347284044  -0.179468326228  0.189644254925  -0.001920426068  0.003693140141  -0.005515065964
  9  Al  0.021998349994  6.065892105910  2.019780518648  -0.030681315736  -0.009412036352  0.102772710335  0.001372150906  -0.000593547493  -0.000079448462
  10  Al  2.066181913348  3.977662423343  2.016667031941  -0.128099607453  0.406963905381  0.209932231277  0.002377255147  -0.003633301734  -0.000094251871
  11  Al  2.039658350151  6.098565280023  0.081390168694  -0.126453361091  -0.007730090284  0.072070557104  0.000626785044  0.001513732670  0.005426088230
  12  Al  8.064265502640  4.075792950615  3.992406400935  0.252838748743  -0.033872500072  0.209326061494  -0.001725111971  0.001632008265  -0.003174761453
  13  Al  0.006016806842  6.050122478243  6.011959181014  -0.042840088874  0.021678000501  0.144312733529  0.000326134164  -0.001521760313  -0.003715583516
  14  Al  2.010949282995  4.019925116938  6.101214070855  -0.104608109024  -0.145445545222  -0.162139682530  -0.001160891667  -0.002274726089  0.001330587362
  15  Al  2.089081298665  6.083969909427  3.977962481853  -0.282672692054  -0.111021881634  0.046425630040  0.003447067194  0.000338891186  -0.004585969557
  16  Al  4.130338359278  0.086226033663  8.099777977958  -0.027041177883  -0.078732457836  0.197959031579  0.005024537816  0.005369160723  0.000437266049
  17  Al  3.958297956439  1.951602503850  2.013058539945  0.296114812012  0.134157303999  -0.007543847480  -0.005162604559  -0.004373824557  -0.000797960344
  18  Al  6.134974522269  8.026800693571  1.940526679222  -0.273273645336  0.042082531225  0.162099154976  0.003189515107  -0.004642578105  -0.005054024527
  19  Al  6.098966526964  2.105089752176  7.995743721978  -0.202446764161  -0.302037319144  0.133945394299  0.001042970826  0.004477099958  -0.006461005998
  20  Al  4.073196046311  0.087300255588  4.057701255342  -0.130443762580  -0.285411366905  -0.042909721605  0.001200417968  0.004925082216  0.000372342727
  21  Al  4.069375996918  2.000643935465  6.095275835107  0.035881029459  0.126210039723  0.138654427218  0.001316837907  -0.001294983444  0.001619754082
  22  Al  6.076317153959  0.010909770042  6.086293900631  0.008496242838  0.234379597129  0.090685361269  0.000135622141  0.001260847944  0.000920231550
  23  Al  6.138804196699  2.038056567797  4.030393727396  -0.182790565426  -0.009767872192  0.250357827066  0.003642554533  0.000799252753  -0.000635114686
  24  Al  4.068031033420  4.039650613672  0.089563433435  0.104642078215  -0.082598385702  -0.317153564876  0.001382742063  -0.000850896233  0.005058675623
  25  Al  4.020348292770  6.156290038223  2.101710275640  0.119816818308  -0.133272538941  -0.197848743215  -0.001684419880  0.004847540189  0.004484286459
  26  Al  6.031329209104  4.113481973280  1.968891343023  0.054339227313  -0.002712258988  0.157954332680  -0.002719571386  0.004102316243  -0.003273059845
  27  Al  6.042070195585  6.110567152491  0.073918964053  0.019609821793  -0.142965204392  -0.230606611985  -0.002017506991  0.001955739882  0.004305234584
  28  Al  4.067134649290  4.084948317706  4.109328108111  -0.045501958425  0.000126289138  -0.222136842310  0.000987924397  0.002203677538  0.003227199027
  29  Al  3.982245797198  6.097971698313  6.181971443107  0.330501137613  -0.057153984822  -0.199832773484  -0.003547704901  0.001329953368  0.006304383105
  30  Al  6.094870905733  3.974921264874  6.091031962550  -0.029631416054  0.165214773872  -0.047252196178  0.001220724551  -0.004514609829  0.001010980750
  31  Al  6.143098874674  6.044993890628  4.040342464836  -0.153320748371  0.105846291963  -0.160886851603  0.004002968343  -0.001693406643  -0.001002029461


MDSTEP:  35
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -78.857881297484  -0.199322680986  0.105848755861
  -0.199322680986  -79.267972821238  -1.158851750144
  0.105848755861  -1.158851750144  -74.451225396547
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.024504786755  8.077313932372  8.061030444975  0.229002182702  0.026208068980  -0.130629970036  -0.004153080877  -0.001342294880  -0.002714274483
  1  Al  8.066229868390  1.973396060758  1.953510420882  0.189001492126  0.134745104952  0.014619746841  -0.001643827825  -0.002890005691  -0.004372814831
  2  Al  1.981452005113  8.026770443875  1.987916468616  0.068914933816  0.120779848624  0.157010087383  -0.002492534703  -0.004367140412  -0.001930992671
  3  Al  1.977472190703  2.001957892506  8.082577343055  0.010681725641  -0.031237834442  -0.197169977755  -0.002861253718  -0.001482894945  -0.001591909081
  4  Al  0.015253909096  8.043811405496  4.159558458154  0.151559471043  0.056341410610  -0.348448203248  0.001285445795  -0.003370129924  0.006019865854
  5  Al  0.009891512062  2.023007418895  6.116668393500  -0.009557291197  -0.064148971743  -0.134165870357  0.000568860751  -0.000251801681  0.002293811906
  6  Al  2.003089355857  8.092447968601  6.059378848986  -0.049033637946  0.218274440834  0.086074649226  -0.001512240576  0.000084588901  -0.000797990762
  7  Al  2.018969704394  2.038992480068  4.095310731977  -0.037787247435  -0.100754758122  0.022037709272  -0.000451382845  0.000627909929  0.002891822243
  8  Al  8.068910280217  4.116180445646  8.004249153594  -0.004393513212  -0.184344780427  0.198166538461  -0.001921296888  0.003660615511  -0.005480395958
  9  Al  0.022683054003  6.065594911449  2.019745388320  -0.033671774472  -0.009257449631  0.103572875823  0.001366397786  -0.000595216531  -0.000061001315
  10  Al  2.067364814916  3.975863963617  2.016629289900  -0.136416391446  0.411820006706  0.216805524390  0.002353607607  -0.003560103041  -0.000056101823
  11  Al  2.039966090254  6.099321800826  0.084106434336  -0.129272501882  -0.009955945278  0.065588394865  0.000603923336  0.001512151551  0.005438394841
  12  Al  8.063414248455  4.076607440659  3.990828377008  0.260523384240  -0.039697595673  0.212050215550  -0.001679217766  0.001625431151  -0.003137090717
  13  Al  0.006177958988  6.049362567086  6.010107839984  -0.045013253975  0.022439587642  0.150561195070  0.000318280139  -0.001517816233  -0.003689221999
  14  Al  2.010364161217  4.018781252530  6.101872116950  -0.105744130558  -0.143772291063  -0.167992595719  -0.001179697005  -0.002300581956  0.001301073774
  15  Al  2.090792196895  6.084134392381  3.975671572283  -0.291301871557  -0.114267409596  0.056090575250  0.003395754281  0.000318750485  -0.004576804682
  16  Al  4.132849419455  0.088907094712  0.000009211936  -0.028248639833  -0.087038341198  0.201580964756  0.005019594946  0.005354340933  0.000472984637
  17  Al  3.955729890385  1.949421588354  2.012659222566  0.302345230221  0.137935917616  -0.004939333091  -0.005109102662  -0.004349499619  -0.000799076331
  18  Al  6.136557064589  8.024481285593  1.938006912733  -0.276263109686  0.050921480149  0.170286488992  0.003140386917  -0.004634263613  -0.005024309489
  19  Al  6.099478963080  2.107314801196  7.992519206290  -0.202656309038  -0.314090826411  0.149415074316  0.001006754903  0.004422018545  -0.006435673776
  20  Al  4.073790424506  0.089750038911  4.057885508656  -0.134995361078  -0.293670642617  -0.042473527856  0.001176687901  0.004873312701  0.000364709526
  21  Al  4.070036019741  2.000002085286  6.096091909952  0.034804837322  0.130278336198  0.138473463179  0.001323157173  -0.001272053568  0.001644529116
  22  Al  6.076385344808  0.011550670697  6.086758070009  0.007860130451  0.234308653646  0.091800345085  0.000137084389  0.001302748336  0.000936545641
  23  Al  6.140617303293  2.038455757553  4.030087360957  -0.184840176792  -0.010211535091  0.250277235591  0.003609688609  0.000797466609  -0.000590358272
  24  Al  4.068727081915  4.039221473437  0.092078594597  0.105086664885  -0.081940826626  -0.329313591789  0.001401491662  -0.000865605920  0.005000881925
  25  Al  4.019511438599  6.158707851083  2.103943575102  0.126594696680  -0.135531147817  -0.206058637597  -0.001662390868  0.004823509333  0.004448177430
  26  Al  6.029971852355  4.115533010164  1.967261873602  0.062612868553  -0.009391322843  0.166346492311  -0.002709115953  0.004101234191  -0.003244067585
  27  Al  6.041062318641  6.111538631939  0.076061273312  0.020037755563  -0.146768921827  -0.244960726851  -0.002013962526  0.001929837860  0.004262719206
  28  Al  4.067626577567  4.086050162120  4.110931778188  -0.047666444663  0.000672363574  -0.225250817720  0.000979595208  0.002203748937  0.003187202893
  29  Al  3.980486718030  6.098634120235  6.185114702206  0.336272771525  -0.057964274816  -0.202901621316  -0.003488095793  0.001319661879  0.006268378940
  30  Al  6.095479943495  3.972671345001  6.091535340769  -0.030890865627  0.178776366967  -0.054939946748  0.001215313903  -0.004483857269  0.001001844846
  31  Al  6.145093505464  6.044151918598  4.039834258521  -0.157545624370  0.110543288727  -0.161512756278  0.003975177113  -0.001674061570  -0.001030851754


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)
  -78.573298359094  -0.203351672493  0.118933613466
  -0.203351672493  -79.015811555437  -1.210631363190
  0.118933613466  -1.210631363190  -73.969311861980
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.022438482632  8.076643956423  8.059667468621  0.235241978468  0.027144947665  -0.131680813048  -0.004111577783  -0.001337525158  -0.002737724878
  1  Al  8.065416402777  1.971957080970  1.951324666964  0.192005718693  0.140005452477  0.015435072769  -0.001609766054  -0.002865443188  -0.004370127952
  2  Al  1.980208818234  8.024592272485  1.986957990575  0.069526494133  0.133739943899  0.160921574555  -0.002480158139  -0.004344386525  -0.001902569809
  3  Al  1.976042041314  2.001215048713  8.081772575087  0.010304378978  -0.031546683719  -0.195989292448  -0.002859377575  -0.001488507836  -0.001627057237
  4  Al  0.015903406648  8.042128858974  4.162552815572  0.154056782809  0.061639424450  -0.361021827240  0.001312767669  -0.003359582522  0.005956439744
  5  Al  0.010175515230  2.022878650618  6.117809302287  -0.009718098367  -0.065320652403  -0.138941050087  0.000567137545  -0.000263376172  0.002269396344
  6  Al  2.002331043783  8.092500019841  6.058983701111  -0.044506788448  0.218151157616  0.090393216700  -0.001520603023  0.000123605036  -0.000782214662
  7  Al  2.018742323895  2.039301931331  4.096757628176  -0.037539744448  -0.102442700534  0.017778891929  -0.000458117024  0.000609744222  0.002895381818
  8  Al  8.067949435384  4.118002513256  8.001517813587  -0.005323071294  -0.189534969599  0.205632656916  -0.001922165544  0.003627190930  -0.005444296601
  9  Al  0.023364747780  6.065296889379  2.019719517333  -0.037926108723  -0.010355215456  0.102968754928  0.001359996987  -0.000596969889  -0.000042536642
  10  Al  2.068535520956  3.974102320302  2.016610930118  -0.142000389489  0.415564175273  0.222671166499  0.002328717347  -0.003486135491  -0.000016812923
  11  Al  2.040262273487  6.100077431574  0.086828563535  -0.129267096907  -0.013206077709  0.056734585247  0.000580810082  0.001510080883  0.005449330428
  12  Al  8.062586284874  4.077418381766  3.989269310217  0.266547180520  -0.046013029657  0.215769441636  -0.001632098037  0.001617768683  -0.003098843948
  13  Al  0.006335086981  6.048604662011  6.008269959015  -0.048493952861  0.021674525882  0.158391163348  0.000309920662  -0.001513872463  -0.003661601881
  14  Al  2.009769585989  4.017624534982  6.102515144629  -0.103664907393  -0.141684236818  -0.172792339809  -0.001198418023  -0.002326101564  0.001270607846
  15  Al  2.092477052946  6.084288659912  3.973385677171  -0.296910935718  -0.118361997475  0.067794667919  0.003343168479  0.000297953584  -0.004565729430
  16  Al  4.135357954224  0.091580374596  0.000254714852  -0.028577900657  -0.095064525284  0.203451595300  0.005014514694  0.005338061068  0.000509194257
  17  Al  3.953188853777  1.947253004230  2.012259463614  0.310082469172  0.143095535041  -0.003082544810  -0.005054352066  -0.004324375610  -0.000799793481
  18  Al  6.138114909186  8.022166429958  1.935502369733  -0.281733138356  0.060872567617  0.177116997716  0.003090502454  -0.004624269306  -0.004993251868
  19  Al  6.099973281867  2.109511770721  7.989308048202  -0.205314338366  -0.324699763556  0.164771988731  0.000970282621  0.004364911126  -0.006407585679
  20  Al  4.074372734213  0.092173568290  4.058065964868  -0.138786932879  -0.301216237995  -0.040369416291  0.001152211961  0.004820130242  0.000357303426
  21  Al  4.070699154091  1.999371881897  6.096920364224  0.034790762890  0.135522919616  0.138896468453  0.001329378969  -0.001248291127  0.001669325789
  22  Al  6.076454238348  0.012212518378  6.087230446272  0.004010024086  0.234043209178  0.094064621340  0.000138145573  0.001344618655  0.000953161835
  23  Al  6.142413885309  2.038854034406  4.029803369124  -0.189965293660  -0.008994276290  0.250819870616  0.003576181270  0.000795749623  -0.000545560551
  24  Al  4.069432525082  4.038785007752  0.094564315360  0.106953358222  -0.081595564019  -0.343055369958  0.001420447887  -0.000880225956  0.004940772624
  25  Al  4.018685901903  6.161113547556  2.106158453070  0.134879971613  -0.138752214896  -0.215205409354  -0.001639015220  0.004798988598  0.004410516727
  26  Al  6.028620093151  4.117583207471  1.965647275438  0.068558268729  -0.017467606290  0.173486821773  -0.002697389348  0.004098833022  -0.003213686731
  27  Al  6.040056233058  6.112496990351  0.078181683259  0.017858247708  -0.152261563543  -0.261535200877  -0.002010574651  0.001903104749  0.004217438835
  28  Al  4.068114244499  4.087152066643  4.112515311004  -0.048413751589  0.000597171462  -0.226619676642  0.000971005708  0.002203862433  0.003146805996
  29  Al  3.978757701405  6.099291360192  6.188239822047  0.343255913346  -0.059993724297  -0.205024122622  -0.003427346418  0.001309116518  0.006231910672
  30  Al  6.096086219636  3.970437407605  6.092033807396  -0.035053437954  0.192893774951  -0.061737319508  0.001209418530  -0.004450630226  0.000991413982
  31  Al  6.147074051788  6.043319829058  4.039311613082  -0.164875662258  0.113566234413  -0.160045173680  0.003946352882  -0.001654026340  -0.001059598801


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)
  -78.282225721836  -0.207853294223  0.132428190380
  -0.207853294223  -78.755432979474  -1.263226851279
  0.132428190380  -1.263226851279  -73.479071753763
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.020393208972  8.075976407214  8.058292720097  0.243970514228  0.027329527375  -0.131148725078  -0.004147859746  -0.001358570832  -0.002814918106
  1  Al  8.064620102336  1.970530617570  1.949140292930  0.197554961919  0.143065127169  0.018688605779  -0.001605566878  -0.002895367974  -0.004452002258
  2  Al  1.978971846973  8.022426057350  1.986013898807  0.066306063393  0.147004945696  0.166172072076  -0.002516009378  -0.004403283734  -0.001909757787
  3  Al  1.974612813128  2.000469384670  8.080950285817  0.006020552809  -0.033631630948  -0.192509599876  -0.002913495016  -0.001523394505  -0.001694104950
  4  Al  0.016566676765  8.040451822973  4.165514897898  0.157640378544  0.066975052401  -0.375338602142  0.001366703968  -0.003413193442  0.006005162159
  5  Al  0.010458649607  2.022744042723  6.118937789844  -0.007339304366  -0.068461831722  -0.145984831935  0.000576611885  -0.000280690592  0.002287560939
  6  Al  2.001568752834  8.092571573637  6.058596634325  -0.043372090163  0.216653079097  0.093193658143  -0.001558182715  0.000165635837  -0.000780694398
  7  Al  2.018511587370  2.039602224291  4.098206113795  -0.041425417011  -0.105449264921  0.011532459333  -0.000474222567  0.000602654877  0.002954358610
  8  Al  8.066988114673  4.119807636577  7.998804856993  -0.003010447206  -0.193942472642  0.214646439190  -0.001960304685  0.003662778283  -0.005511866514
  9  Al  0.024043050990  6.064997941560  2.019702851678  -0.040098455256  -0.009438692758  0.103865692358  0.001379333359  -0.000610382915  -0.000024513401
  10  Al  2.069693532263  3.972377828126  2.016612476978  -0.151620971510  0.419193001760  0.230072980740  0.002347243049  -0.003477851150  0.000024122226
  11  Al  2.040546900335  6.100831881709  0.089555764764  -0.132610792966  -0.014896378020  0.048754714166  0.000568237907  0.001536885672  0.005564915604
  12  Al  8.061782150418  4.078225209342  3.987729533060  0.275376155198  -0.052382004337  0.217847552788  -0.001614447146  0.001640261326  -0.003119587124
  13  Al  0.006487879650  6.047848694623  6.006446238103  -0.049432939946  0.023277098432  0.164512464569  0.000307022733  -0.001539215389  -0.003703378974
  14  Al  2.009165743194  4.016455150966  6.103142724797  -0.105143206942  -0.138497906084  -0.179549020805  -0.001240753526  -0.002396871584  0.001263205272
  15  Al  2.094135365374  6.084432345965  3.971105842853  -0.306120544108  -0.121075298484  0.078991658485  0.003353222881  0.000281925990  -0.004641139701
  16  Al  4.137863934150  0.094245155780  0.000518406193  -0.030954673850  -0.104620103647  0.206413976092  0.005106604440  0.005423669552  0.000556450614
  17  Al  3.950675538318  1.945097212744  2.011859429084  0.314632437407  0.146044636189  0.000617128315  -0.005095707043  -0.004382118546  -0.000815571462
  18  Al  6.139647567043  8.019857016287  1.933013660865  -0.282923313917  0.070983344520  0.186592140802  0.003099140769  -0.004702178704  -0.005057206142
  19  Al  6.100449245701  2.111679712322  7.986111620611  -0.203958839524  -0.337700188963  0.181990273536  0.000951851093  0.004389424268  -0.006500588481
  20  Al  4.074942636468  0.094570169154  4.058242812082  -0.144283707517  -0.309493602037  -0.039442726861  0.001148820167  0.004858206785  0.000356977871
  21  Al  4.071365398710  1.998753794159  6.097761235740  0.032216234050  0.138676810396  0.137264690538  0.001361337781  -0.001247576224  0.001726957269
  22  Al  6.076523490381  0.012895289353  6.087711231844  0.003803402868  0.232253124350  0.094218107715  0.000141544137  0.001413264177  0.000988857293
  23  Al  6.144193484564  2.039251507176  4.029541800406  -0.190392104977  -0.010521861567  0.249254941976  0.003611061011  0.000809445614  -0.000510594150
  24  Al  4.070147529803  4.038341247481  0.097019367220  0.105862832512  -0.079892264565  -0.355217534571  0.001467466411  -0.000912061029  0.004973214949
  25  Al  4.017872423379  6.163506839681  2.108354091829  0.140995484893  -0.140166646274  -0.223154102693  -0.001645745863  0.004866892705  0.004456335296
  26  Al  6.027274463007  4.119631843187  1.964048186870  0.078379120631  -0.024946612371  0.182741418366  -0.002736452932  0.004174675975  -0.003243716253
  27  Al  6.039051743990  6.113441736688  0.080278712147  0.018842188086  -0.155270912328  -0.277097749412  -0.002046328756  0.001912085892  0.004250363989
  28  Al  4.068597583275  4.088254024552  4.114078584184  -0.052065142754  0.001358183834  -0.229255274048  0.000980731072  0.002246898337  0.003166453331
  29  Al  3.977059371612  6.099943236753  6.191346612878  0.347224369533  -0.059757828184  -0.208332550284  -0.003431067906  0.001323660531  0.006315427919
  30  Al  6.096689362025  3.968220714775  6.092526754751  -0.035746928310  0.207978835778  -0.070617531188  0.001226485055  -0.004500645341  0.000998631114
  31  Al  6.149039858346  6.042497892258  4.038774659720  -0.168325815749  0.119352732857  -0.159722726071  0.003992728900  -0.001664963858  -0.001109347369


MDSTEP:  38
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -77.972352047510  -0.210504915739  0.148523599224
  -0.210504915739  -78.483018702811  -1.314182162772
  0.148523599224  -1.314182162772  -72.976669397026
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.018330184493  8.075298343417  8.056879398743  0.249044146630  0.028662013903  -0.131100110118  -0.004103784590  -0.001353565229  -0.002838362964
  1  Al  8.063826149532  1.969089328542  1.946915127175  0.199134492945  0.149526361514  0.018999884426  -0.001570103127  -0.002869210506  -0.004448632934
  2  Al  1.977716806142  8.020230986551  1.985066447745  0.066897961770  0.161991395716  0.169402001865  -0.002504101034  -0.004375659683  -0.001879757706
  3  Al  1.973156334737  1.999706184095  8.080094628233  0.005891145983  -0.032715360677  -0.189659289253  -0.002912430118  -0.001529325879  -0.001728270574
  4  Al  0.017257075217  8.038748220013  4.168500701477  0.158625923216  0.073548984296  -0.388683660045  0.001394977948  -0.003400630694  0.005936859119
  5  Al  0.010746627485  2.022600637207  6.120075044844  -0.008521276654  -0.068345657270  -0.150405753199  0.000575193960  -0.000292921083  0.002261063834
  6  Al  2.000787722760  8.092664075870  6.058210452849  -0.037373036516  0.215683932939  0.098333378029  -0.001565401271  0.000204286454  -0.000763572019
  7  Al  2.018272624386  2.039898838185  4.099683808597  -0.040592158977  -0.105892003113  0.005857622993  -0.000481554879  0.000583761120  0.002955913271
  8  Al  8.066007827764  4.121630356560  7.996058518355  -0.004938715088  -0.199730147500  0.222719937658  -0.001961015335  0.003627584234  -0.005472766275
  9  Al  0.024730925283  6.064692328196  2.019695237736  -0.045909651322  -0.011596431241  0.101998748375  0.001371644296  -0.000612263440  -0.000006109268
  10  Al  2.070860376385  3.970657640327  2.016634822270  -0.156913562146  0.421023386075  0.235241859546  0.002319660284  -0.003402736410  0.000065721038
  11  Al  2.040825091634  6.101599658682  0.092340401884  -0.131638401392  -0.019645681901  0.038209273133  0.000544614219  0.001533797636  0.005572690122
  12  Al  8.060987236061  4.079042998548  3.986179477205  0.279917234470  -0.059997565099  0.220747619225  -0.001564804316  0.001630214673  -0.003080377031
  13  Al  0.006639181382  6.047080127406  6.004601902264  -0.054055812728  0.021112579395  0.173702622014  0.000297770913  -0.001535246984  -0.003673142789
  14  Al  2.008540666567  4.015250524368  6.103766301656  -0.101864689135  -0.135548122390  -0.183555541023  -0.001259259883  -0.002421371101  0.001230743986
  15  Al  2.095798293336  6.084567896937  3.968788803901  -0.310740648797  -0.126482900777  0.092021802234  0.003298075934  0.000259794465  -0.004625851220
  16  Al  4.140415852707  0.096952314075  0.000805858131  -0.030224329367  -0.113173205178  0.207798403520  0.005101135082  0.005404198986  0.000593480902
  17  Al  3.948141748754  1.942912681614  2.011451670939  0.323246691219  0.152509229283  0.002268933222  -0.005038681108  -0.004355428045  -0.000815313450
  18  Al  6.141184490857  8.017509099865  1.930493398396  -0.288200454319  0.083005460663  0.193092190912  0.003048082715  -0.004688412216  -0.005023262636
  19  Al  6.100916054360  2.113859329378  7.982869461270  -0.206451544802  -0.347556320503  0.199846050825  0.000915160700  0.004328162829  -0.006466452588
  20  Al  4.075510597121  0.096985438294  4.058419537942  -0.146885591361  -0.316306427729  -0.036842622686  0.001122789842  0.004802260713  0.000350158016
  21  Al  4.072047507654  1.998136204851  6.098630850057  0.033003131852  0.145200371516  0.137493165119  0.001367168345  -0.001222197808  0.001751520424
  22  Al  6.076594432460  0.013612303072  6.088209872006  -0.001260467437  0.231016577535  0.096935094765  0.000141771474  0.001454680155  0.001005946252
  23  Al  6.145990504610  2.039655759660  4.029297644937  -0.195837990384  -0.008040571379  0.248216538473  0.003576532318  0.000807786146  -0.000466120558
  24  Al  4.070885995039  4.037881645811  0.099490096599  0.108374856006  -0.079350845645  -0.369430625698  0.001486619106  -0.000926297249  0.004908431925
  25  Al  4.017055852895  6.165934020634  2.110572284569  0.151112644223  -0.144470655268  -0.233325611872  -0.001619631606  0.004841446335  0.004415526338
  26  Al  6.025909740060  4.121718066069  1.962434497220  0.084687343942  -0.034881819285  0.189836388050  -0.002721874907  0.004169327356  -0.003210408065
  27  Al  6.038029421851  6.114390839081  0.082391507972  0.015902172441  -0.161901662118  -0.295148612444  -0.002043222635  0.001883730892  0.004199205576
  28  Al  4.069085621518  4.089377534432  4.115651563221  -0.051608890629  0.000731274438  -0.230213454283  0.000971462688  0.002247085134  0.003125377157
  29  Al  3.975359358463  6.100602395865  6.194495014448  0.354948356245  -0.062915822045  -0.209382647891  -0.003368294170  0.001312693595  0.006278084481
  30  Al  6.097301006677  3.965979688684  6.093022913729  -0.040991661999  0.223507488631  -0.077589774971  0.001219624681  -0.004462070774  0.000985381487
  31  Al  6.151028698693  6.041670745353  4.038212846487  -0.176777217890  0.121032143214  -0.157383810901  0.003961876937  -0.001643473623  -0.001137696465


MDSTEP:  39
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -77.654141286940  -0.213417919625  0.165383679563
  -0.213417919625  -78.203131760105  -1.364917457684
  0.165383679563  -1.364917457684  -72.467102501126
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.016289424382  8.074622841985  8.055454357133  0.257069113159  0.028741294141  -0.130914884316  -0.004058538429  -0.001348433414  -0.002861786916
  1  Al  8.063049999209  1.967661407064  1.944691659996  0.203790025101  0.152902190420  0.022214272166  -0.001534081965  -0.002842173611  -0.004444948418
  2  Al  1.976467745940  8.018050397667  1.984134141101  0.064927755562  0.176818584477  0.174784221021  -0.002492315910  -0.004345370315  -0.001848987706
  3  Al  1.971700383010  1.998940058791  8.079222015244  0.003314962838  -0.034530948859  -0.185856221085  -0.002911607099  -0.001535337650  -0.001761841390
  4  Al  0.017961654712  8.037051192279  4.171451757017  0.161762371867  0.079630997562  -0.402420072998  0.001423620431  -0.003386936514  0.005866135015
  5  Al  0.011033843567  2.022451121640  6.121198853677  -0.006681283429  -0.071221578005  -0.157671851086  0.000573834862  -0.000305398293  0.002233521918
  6  Al  2.000003351563  8.092775860091  6.057833062306  -0.033477274104  0.212756773915  0.101263649520  -0.001571735238  0.000242588745  -0.000745728188
  7  Al  2.018030032491  2.040185985411  4.101162027066  -0.042605886382  -0.108845654489  -0.000518791629  -0.000488992725  0.000564563728  0.002956390559
  8  Al  8.065027099338  4.123435220811  7.993332090718  -0.003227011756  -0.204139868435  0.231146055101  -0.001961745345  0.003591478545  -0.005432190982
  9  Al  0.025414695286  6.064385678119  2.019696742409  -0.048769758694  -0.010848506067  0.102232010145  0.001363180025  -0.000614270002  0.000012148815
  10  Al  2.072013192547  3.968975091716  2.016678198016  -0.165106080614  0.423196808672  0.242442065778  0.002290871960  -0.003327263732  0.000108425637
  11  Al  2.041091514555  6.102365679345  0.095128454886  -0.132601826650  -0.021989863400  0.027128869052  0.000520991333  0.001530075448  0.005578531305
  12  Al  8.060217346102  4.079855424015  3.984649156029  0.288034466852  -0.067041911550  0.223387937344  -0.001514029843  0.001618857435  -0.003040671632
  13  Al  0.006785650563  6.046313447639  6.002773095314  -0.055380117886  0.022344420472  0.180654213671  0.000287987420  -0.001531361959  -0.003641463543
  14  Al  2.007906483311  4.014033779865  6.104373468783  -0.100795922790  -0.130838064722  -0.190052427432  -0.001277377596  -0.002445185835  0.001197343702
  15  Al  2.097433441308  6.084692140430  3.966479991632  -0.317998025197  -0.129309004934  0.106024264958  0.003241867149  0.000236926852  -0.004608146045
  16  Al  4.142965069231  0.099649354766  0.001111887096  -0.032332956638  -0.123869727671  0.208837001313  0.005095542505  0.005383007519  0.000630727808
  17  Al  3.945636857210  1.940741784699  2.011044115634  0.328162048685  0.155849419713  0.006417188120  -0.004980445636  -0.004327861004  -0.000814536917
  18  Al  6.142695649758  8.015168604071  1.927990398229  -0.290380264438  0.094853827117  0.202516972604  0.002996358015  -0.004672511724  -0.004987895461
  19  Al  6.101364406401  2.116007875150  7.979645168023  -0.206093455125  -0.360594670300  0.218198938177  0.000878279474  0.004264854640  -0.006429079667
  20  Al  4.076065426309  0.099372429867  4.058592970098  -0.152097446451  -0.324275365015  -0.034044956141  0.001096060973  0.004744993162  0.000343820717
  21  Al  4.072732567055  1.997531596351  6.099512756164  0.030560882670  0.148569846517  0.135087320147  0.001372850922  -0.001195934962  0.001775888923
  22  Al  6.076665261855  0.014349969508  6.088717178096  -0.003913795953  0.227823379671  0.097090890702  0.000141308898  0.001495700117  0.001023292036
  23  Al  6.147770016882  2.040059293322  4.029075679848  -0.197917820092  -0.009177347145  0.246413890112  0.003541330832  0.000806246876  -0.000421900953
  24  Al  4.071634148909  4.037414950232  0.101927799146  0.107284906876  -0.076825590057  -0.383413906002  0.001505898934  -0.000940259310  0.004841128166
  25  Al  4.016252791773  6.168348286016  2.112769618167  0.158297764253  -0.145934178224  -0.241846671041  -0.001591970538  0.004815484352  0.004373046278
  26  Al  6.024552588100  4.123801170543  1.960837778805  0.093613802306  -0.043956817224  0.199188000889  -0.002705934913  0.004162279239  -0.003175629565
  27  Al  6.037008521355  6.115325467581  0.084477917723  0.014767884590  -0.165317858570  -0.313584041858  -0.002040480754  0.001854477703  0.004144785315
  28  Al  4.069569045964  4.090501109686  4.117203961341  -0.054802440954  0.001242767425  -0.231098511817  0.000961949592  0.002247261611  0.003084136199
  29  Al  3.973691077442  6.101255930348  6.197624697359  0.358964502390  -0.062902782726  -0.212014559777  -0.003304470874  0.001301445502  0.006240411874
  30  Al  6.097908986705  3.963758644001  6.093512136238  -0.043968672284  0.240344954350  -0.086931881118  0.001212029288  -0.004420602699  0.000970673370
  31  Al  6.153001735284  6.040854418635  4.037636963255  -0.182400447713  0.126544472943  -0.154658984519  0.003929766712  -0.001621340451  -0.001165592867


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)
  -77.324590051219  -0.214488400523  0.183776884956
  -0.214488400523  -77.915704563708  -1.413194724232
  0.183776884956  -1.413194724232  -71.954207912901
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.014271646064  8.073949910003  8.054017611827  0.262903633073  0.029476226418  -0.130187909027  -0.004099382814  -0.001372466607  -0.002947929360
  1  Al  8.062292067568  1.966247154931  1.942470178757  0.205941436674  0.157801579270  0.023546753667  -0.001530047016  -0.002875657342  -0.004537520685
  2  Al  1.975224490232  8.015885616236  1.983217460040  0.064331121995  0.192957952776  0.178393532452  -0.002534758480  -0.004406177818  -0.001856973159
  3  Al  1.970244727638  1.998170846445  8.078332786842  0.002280891539  -0.035113528839  -0.181326491335  -0.002974472324  -0.001575118733  -0.001833731430
  4  Al  0.018680695648  8.035361283499  4.174366836492  0.162873960305  0.086685823146  -0.416263707309  0.001484262073  -0.003445467049  0.005919039174
  5  Al  0.011320462348  2.022295238914  6.122308566761  -0.007017725169  -0.072522601359  -0.163033321442  0.000585074074  -0.000325176181  0.002252843667
  6  Al  1.999215987522  8.092906664615  6.057464724661  -0.027507472112  0.209881161282  0.106015044356  -0.001611517554  0.000286475081  -0.000743026390
  7  Al  2.017783631661  2.040463401913  4.102640199155  -0.042676013032  -0.110554487181  -0.007425779254  -0.000507426627  0.000556811322  0.003020016032
  8  Al  8.064046082419  4.125221835105  7.990626327373  -0.003994435791  -0.209289696084  0.239808468617  -0.002005105915  0.003631888739  -0.005507412971
  9  Al  0.026094105307  6.064078058194  2.019707386551  -0.054001672861  -0.011542680579  0.100314311066  0.001383464418  -0.000629686024  0.000030914893
  10  Al  2.073151248344  3.967330376595  2.016743247907  -0.171643401808  0.423856119001  0.247818457303  0.002309976465  -0.003322313394  0.000155568670
  11  Al  2.041346082967  6.103129734130  0.097918933189  -0.131913818066  -0.025565856525  0.015068156901  0.000508169410  0.001559036312  0.005703812595
  12  Al  8.059473206218  4.080661855983  3.983138805573  0.293263305891  -0.075099107004  0.225509865322  -0.001493886662  0.001641110885  -0.003065852666
  13  Al  0.006927168801  6.045548765447  6.000960438721  -0.059033081681  0.021885296237  0.189872981862  0.000283804887  -0.001560654641  -0.003686880676
  14  Al  2.007263288972  4.012805338533  6.104963645359  -0.097670954421  -0.126245723729  -0.194620065519  -0.001323311023  -0.002521893088  0.001188268055
  15  Al  2.099040160486  6.084804823790  3.964180657856  -0.323069409117  -0.133311234778  0.120479157057  0.003253873790  0.000218094890  -0.004687760649
  16  Al  4.145511395212  0.102335321594  0.001436585939  -0.032447277406  -0.133844434625  0.209637890113  0.005200538812  0.005476637429  0.000682682416
  17  Al  3.943161303118  1.938584820611  2.010637134021  0.335434142876  0.160675110122  0.008997797245  -0.005028237678  -0.004393151701  -0.000830858697
  18  Al  6.144180848872  8.012836588141  1.925505502934  -0.294010909792  0.108127635152  0.210009738143  0.003008197812  -0.004755675982  -0.005058783659
  19  Al  6.101794333835  2.118124184018  7.976440381604  -0.207079444361  -0.372254722557  0.237889209450  0.000859655443  0.004290744605  -0.006527358709
  20  Al  4.076606658095  0.101730431455  4.058763358659  -0.155318010198  -0.331289535737  -0.030963263949  0.001091837785  0.004788393777  0.000345366405
  21  Al  4.073420358577  1.996940269888  6.100406738980  0.030053967317  0.153362755554  0.133976603812  0.001408270375  -0.001194386544  0.001839122051
  22  Al  6.076735741359  0.015108003189  6.089233164042  -0.008579105360  0.224656909587  0.099027499368  0.000143243575  0.001569588637  0.001063480309
  23  Al  6.149531835442  2.040462006536  4.028875743984  -0.201843019059  -0.008397265188  0.243821093430  0.003581898043  0.000822190937  -0.000386303767
  24  Al  4.072391893972  4.036941386501  0.104331224765  0.108373521977  -0.074933738334  -0.397637296346  0.001558376906  -0.000974588238  0.004875158759
  25  Al  4.015463882357  6.170749504986  2.114945330847  0.167991311171  -0.148607688888  -0.251961055013  -0.001596817702  0.004893397062  0.004423126543
  26  Al  6.023203805147  4.125880345308  1.959258867655  0.101399265331  -0.054559425065  0.207102812819  -0.002747020955  0.004243879765  -0.003207640146
  27  Al  6.035988941097  6.116245316783  0.086536293287  0.012240924649  -0.170328022956  -0.332858581601  -0.002082428372  0.001864184108  0.004175954600
  28  Al  4.070047571110  4.091624796043  4.118735699420  -0.055420216721  0.000921957155  -0.231629444614  0.000972819847  0.002296375050  0.003109000000
  29  Al  3.972054887589  6.101903841368  6.200735426322  0.365125991999  -0.064380788811  -0.213030033833  -0.003310256438  0.001318147065  0.006337419902
  30  Al  6.098513035965  3.961559085985  6.093993587099  -0.048789833149  0.257559156881  -0.094996429765  0.001229938245  -0.004471343930  0.000975183545
  31  Al  6.154958465405  6.040049404902  4.037047253621  -0.190197674696  0.129992855657  -0.151355993971  0.003981270115  -0.001633198392  -0.001218917102


MDSTEP:  41
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -76.978794007098  -0.215282418155  0.203652961717
  -0.215282418155  -77.614027237511  -1.461349757864
  0.203652961717  -1.461349757864  -71.424800877007
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.012233706355  8.073264994276  8.052537827795  0.271686802556  0.029698083012  -0.127982988197  -0.004051590813  -0.001367176466  -0.002971009652
  1  Al  8.061536249568  1.964816379934  1.940202470946  0.210749483725  0.161249739409  0.027459502830  -0.001492795147  -0.002847134384  -0.004532960762
  2  Al  1.973959986570  8.013691152478  1.982296947587  0.060200787812  0.209882236275  0.184157585391  -0.002523625417  -0.004370164195  -0.001824561350
  3  Al  1.968757593431  1.997381717516  8.077407815898  -0.002156451250  -0.037171620771  -0.174731371495  -0.002974461199  -0.001581580973  -0.001865562747
  4  Al  0.019430107092  8.033642424800  4.177307749241  0.166048943015  0.093948837533  -0.432177198857  0.001513667544  -0.003429318440  0.005843189168
  5  Al  0.011612685695  2.022129409090  6.123427701064  -0.004743790966  -0.075166513398  -0.170793725687  0.000584022603  -0.000338379482  0.002222999769
  6  Al  1.998408999171  8.093059283768  6.057097950300  -0.024353897462  0.205864372858  0.108943492806  -0.001616153923  0.000323642432  -0.000723809251
  7  Al  2.017528010745  2.040736865828  4.104149875242  -0.046370825146  -0.113468065822  -0.016484594245  -0.000515387350  0.000536783867  0.003017878462
  8  Al  8.063043350912  4.127028424300  7.987883340240  -0.001831024581  -0.213874910851  0.250055843908  -0.002005626707  0.003594058128  -0.005463619454
  9  Al  0.026783423661  6.063762699229  2.019727328011  -0.056913923683  -0.010853200721  0.100074805672  0.001373548643  -0.000631688199  0.000048829536
  10  Al  2.074298564178  3.965688166114  2.016832109638  -0.181924888978  0.424237556915  0.255259166416  0.002278367714  -0.003246494430  0.000200543448
  11  Al  2.041594271172  6.103908109502  0.100771513028  -0.134430991442  -0.028154364311  0.003418175573  0.000484358376  0.001554233763  0.005705465260
  12  Al  8.058739371651  4.081479054523  3.981615959450  0.301496577781  -0.083314187714  0.226251526404  -0.001440715556  0.001626948850  -0.003025465523
  13  Al  0.007066432487  6.044769416391  5.999125485637  -0.060010719926  0.022913634668  0.197326679870  0.000273162457  -0.001556649649  -0.003652265305
  14  Al  2.006597267604  4.011538748850  6.105549079939  -0.097654830235  -0.120501516927  -0.201522919901  -0.001340773007  -0.002543952114  0.001152853157
  15  Al  2.100652656294  6.084907912270  3.961842162907  -0.331467891233  -0.136209693737  0.134856434241  0.003195358627  0.000193999913  -0.004664933831
  16  Al  4.148110214237  0.105067657510  0.001787297885  -0.035242032443  -0.145109950457  0.211408815994  0.005194487437  0.005451699108  0.000720323688
  17  Al  3.940662178064  1.936395426879  2.010222106871  0.339525950302  0.164165371789  0.013995207844  -0.004967896732  -0.004364111196  -0.000828803139
  18  Al  6.145671805596  8.010463583417  1.922985498465  -0.293699662282  0.121981085655  0.220350385757  0.002955656910  -0.004735104428  -0.005020309774
  19  Al  6.102214905179  2.120252916669  7.973187335811  -0.204144070926  -0.385584552534  0.259801803939  0.000822892356  0.004222994320  -0.006482865490
  20  Al  4.077145634328  0.104109819821  4.058934657815  -0.160990294497  -0.339122629440  -0.028955346676  0.001063560050  0.004728459411  0.000340009724
  21  Al  4.074125837165  1.996349931876  6.101332288711  0.026683555025  0.156808963052  0.130359502689  0.001413342668  -0.001166657416  0.001862753508
  22  Al  6.076806979663  0.015902839591  6.089769330690  -0.010107729722  0.220130329867  0.098613400451  0.000141572985  0.001609352297  0.001081149263
  23  Al  6.151313762154  2.040872726650  4.028693490815  -0.201898070000  -0.009125973806  0.239173585883  0.003545803880  0.000820624372  -0.000343124391
  24  Al  4.073175926682  4.036450742871  0.106751029901  0.106462314869  -0.072064750025  -0.410645261242  0.001577583075  -0.000987729797  0.004802898880
  25  Al  4.014672982657  6.173189560807  2.117145631550  0.175352144444  -0.149888849049  -0.260376607014  -0.001566123044  0.004866711686  0.004377323924
  26  Al  6.021834827180  4.127999846404  1.957664305003  0.112892282579  -0.065438761213  0.217362461883  -0.002727863445  0.004233152013  -0.003169693256
  27  Al  6.034948274076  6.117169795236  0.088609391928  0.012920849363  -0.173973971300  -0.351613337560  -0.002080178927  0.001833403758  0.004114763303
  28  Al  4.070531503770  4.092773024779  4.120279845667  -0.058918142353  0.001150846084  -0.233236135511  0.000962598080  0.002296560357  0.003067441351
  29  Al  3.970416080370  6.102560037102  6.203894613907  0.368177583220  -0.064364117071  -0.216019424984  -0.003244699627  0.001306637363  0.006299063189
  30  Al  6.099125824200  3.959334926821  6.094476932565  -0.050461330248  0.275920295199  -0.105593853520  0.001221065263  -0.004423651251  0.000957250918
  31  Al  6.156940598696  6.039238616340  4.036431029511  -0.194876707315  0.135436276831  -0.148735612663  0.003946844743  -0.001609469219  -0.001245745075


MDSTEP:  42
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -76.620175114038  -0.214462713231  0.226422119849
  -0.214462713231  -77.305369385813  -1.507159706136
  0.226422119849  -1.507159706136  -70.894528350645
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.010220055251  8.072582733537  8.051046602175  0.276477105710  0.030909211557  -0.126886943992  -0.004002585354  -0.001361758218  -0.002993794841
  1  Al  8.060799272420  1.963400020548  1.937937217995  0.211581174740  0.167201120977  0.027864952534  -0.001455039090  -0.002817771113  -0.004528014796
  2  Al  1.972700864816  8.011515452041  1.981392898690  0.060271365206  0.228096283242  0.186978020828  -0.002512855293  -0.004331009231  -0.001791382094
  3  Al  1.967270266439  1.996589265472  8.076467224096  -0.002167437683  -0.036661636615  -0.169182165622  -0.002974847751  -0.001588181613  -0.001896308369
  4  Al  0.020194363192  8.031931965059  4.180210025659  0.165925523085  0.102153150831  -0.446048567578  0.001543345822  -0.003411787064  0.005764676416
  5  Al  0.011904484951  2.021956859433  6.124531566530  -0.006100181805  -0.075314354445  -0.175473163222  0.000583053160  -0.000351832363  0.002192043758
  6  Al  1.997599833599  8.093230307047  6.056740915409  -0.016298035462  0.202230682566  0.114780153558  -0.001619788177  0.000360125836  -0.000703808518
  7  Al  2.017268244311  2.041000185780  4.105658077617  -0.044996111072  -0.114120932255  -0.024100031310  -0.000523555488  0.000516437574  0.003014250226
  8  Al  8.062040455713  4.128815893233  7.985162707919  -0.003501334989  -0.219786610311  0.258781487818  -0.002006103416  0.003555289100  -0.005418129763
  9  Al  0.027467653951  6.063446369995  2.019756216087  -0.063366497777  -0.012457610550  0.096800237026  0.001362795660  -0.000633772169  0.000066430023
  10  Al  2.075429616058  3.964083882166  2.016943791355  -0.187427493687  0.422937371067  0.259649616607  0.002245347877  -0.003170757601  0.000246575923
  11  Al  2.041830441343  6.104683967893  0.103624398449  -0.132082723268  -0.033142827150  -0.011044260173  0.000460532242  0.001548753838  0.005704783493
  12  Al  8.058032490661  4.082288804833  3.980113340050  0.305519293538  -0.092450833107  0.228353434375  -0.001386448774  0.001611235584  -0.002984824167
  13  Al  0.007200331258  6.043992115798  5.997308173416  -0.064479134129  0.021218830359  0.207990816778  0.000262033153  -0.001552704238  -0.003616030213
  14  Al  2.005922515964  4.010261386419  6.106116498516  -0.092688710359  -0.115043051188  -0.205168782246  -0.001357789583  -0.002565009629  0.001116495212
  15  Al  2.102235519112  6.084998823703  3.959515724025  -0.335197111148  -0.141422121519  0.151237633356  0.003135759255  0.000169179828  -0.004639357227
  16  Al  4.150705882649  0.107787020701  0.002156909627  -0.034724248787  -0.155605652992  0.210971770817  0.005188232502  0.005424815349  0.000758084209
  17  Al  3.938193406386  1.934220709415  2.009808330882  0.347388720212  0.170228294749  0.016312610928  -0.004906487055  -0.004334216643  -0.000826093642
  18  Al  6.147136505782  8.008101483713  1.920485193161  -0.297727186036  0.137392573583  0.227322027661  0.002902783775  -0.004711916609  -0.004980288182
  19  Al  6.102617226191  2.122347178338  7.969957516113  -0.205371107313  -0.396519239397  0.281238757904  0.000786281994  0.004153074803  -0.006434496854
  20  Al  4.077670218145  0.106458890867  4.059103368384  -0.163233623592  -0.345105245789  -0.024820112048  0.001034574666  0.004667289932  0.000335202237
  21  Al  4.074833701245  1.995773612472  6.102269492488  0.026729132278  0.162715483132  0.129142210718  0.001418117724  -0.001138092160  0.001885952775
  22  Al  6.076877314344  0.016717355486  6.090314313305  -0.016558236247  0.216124717971  0.101189433506  0.000139189067  0.001648353184  0.001099011493
  23  Al  6.153077639323  2.041282630908  4.028532619593  -0.206939188175  -0.007231651552  0.235745691769  0.003509254124  0.000819162012  -0.000300666949
  24  Al  4.073969477047  4.035953656704  0.109134123645  0.107887025194  -0.069989900521  -0.425901433600  0.001596745751  -0.001000429381  0.004728112208
  25  Al  4.013897759313  6.175616216672  2.119322654771  0.186697734342  -0.153439167307  -0.271701742533  -0.001533756045  0.004839594380  0.004329756503
  26  Al  6.020475941702  4.130113497321  1.956089174399  0.120312638914  -0.078028422836  0.224789077658  -0.002707015093  0.004220326150  -0.003130165227
  27  Al  6.033908762170  6.118078720541  0.090651056590  0.008941383361  -0.180099451233  -0.373041528035  -0.002078224460  0.001801749849  0.004049979680
  28  Al  4.071010169190  4.093921356400  4.121803140771  -0.058624927359  0.000019349985  -0.232685833000  0.000952089814  0.002296664972  0.003025788263
  29  Al  3.968810187962  6.103210478731  6.207034489511  0.374939715951  -0.066862966975  -0.215680695610  -0.003178265475  0.001294905756  0.006260469509
  30  Al  6.099734101228  3.957135434734  6.094950838017  -0.056909791926  0.294302111473  -0.113544149493  0.001211466362  -0.004372673778  0.000937660138
  31  Al  6.158905310148  6.038439935683  4.035801508545  -0.204277731718  0.137752494253  -0.143868525380  0.003911160623  -0.001585046339  -0.001271903675


MDSTEP:  43
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -76.254399972830  -0.213971816737  0.249164344380
  -0.213971816737  -76.989207460184  -1.550990536247
  0.249164344380  -1.550990536247  -70.358165970001
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.008231121001  8.071903236058  8.049544032954  0.285677176365  0.030684225879  -0.125048341792  -0.004048461130  -0.001389239737  -0.003089683158
  1  Al  8.060081210477  1.961998608821  1.935674456151  0.216514131936  0.171084312895  0.032184554665  -0.001451227525  -0.002855329318  -0.004632650126
  2  Al  1.971447131278  8.009360143248  1.980505565493  0.055829047054  0.245807667832  0.193014122833  -0.002563343382  -0.004392954627  -0.001800156340
  3  Al  1.965782745680  1.995793535903  8.075511507529  -0.006803179087  -0.038293123345  -0.162070239866  -0.003048026041  -0.001633674625  -0.001972766037
  4  Al  0.020973452914  8.030230637736  4.183072425657  0.169014109164  0.109556042912  -0.461009846232  0.001611556083  -0.003475384496  0.005821827136
  5  Al  0.012195738855  2.021777576727  6.125619744822  -0.003500680030  -0.077412288045  -0.183883391588  0.000596355496  -0.000374375681  0.002212452921
  6  Al  1.996789210994  8.093419409604  6.056394141782  -0.012506485736  0.196571386317  0.117322658283  -0.001661823802  0.000405404920  -0.000699672637
  7  Al  2.017004455257  2.041253303403  4.107164125467  -0.048564524141  -0.116592165797  -0.033200011922  -0.000544857553  0.000507871557  0.003082318245
  8  Al  8.061037247497  4.130583713401  7.982465210477  -0.000661376387  -0.224110183029  0.268261066078  -0.002055278791  0.003601114629  -0.005501650944
  9  Al  0.028146219321  6.063128927059  2.019793758034  -0.065972151912  -0.012143593571  0.096581213830  0.001384098731  -0.000651440147  0.000085754452
  10  Al  2.076543912055  3.962517408514  2.017078685561  -0.198043124531  0.422234713703  0.267187206853  0.002264662186  -0.003170483948  0.000300817766
  11  Al  2.042054803414  6.105456863340  0.106476296521  -0.134214083534  -0.036329980734  -0.024999758667  0.000447347913  0.001580062083  0.005840239480
  12  Al  8.057352922877  4.083090290106  3.978631135283  0.313794634968  -0.100820506205  0.229480144994  -0.001363458294  0.001632726871  -0.003015498111
  13  Al  0.007328465640  6.043216712153  5.995509455425  -0.064811413875  0.021904771889  0.215425285455  0.000256566933  -0.001586521463  -0.003665208633
  14  Al  2.005239478021  4.008973739221  6.106665575151  -0.092321280252  -0.107781113393  -0.212293712760  -0.001407756968  -0.002647802848  0.001105422976
  15  Al  2.103788415550  6.085077092099  3.957202805680  -0.343521829415  -0.144666722314  0.167742156572  0.003149877078  0.000147096545  -0.004722989513
  16  Al  4.153298446738  0.110492472859  0.002545382093  -0.038027968026  -0.167948931045  0.211088522334  0.005307762982  0.005527133295  0.000815172622
  17  Al  3.935755691010  1.932061210237  2.009396013229  0.350485461971  0.173890052609  0.022196542384  -0.004961919931  -0.004408125004  -0.000842660178
  18  Al  6.148574589371  8.005751666807  1.918005210283  -0.296628093530  0.152360038974  0.238339851888  0.002918960462  -0.004799990189  -0.005058780659
  19  Al  6.103001187173  2.124405991472  7.966752838958  -0.201608709398  -0.409549364006  0.303721989611  0.000768137965  0.004180274770  -0.006537435209
  20  Al  4.078180208994  0.108777109752  4.059269860052  -0.169131968069  -0.352591051052  -0.021295278343  0.001029302528  0.004716921139  0.000339132357
  21  Al  4.075543954890  1.995211839716  6.103218241486  0.022654880469  0.166210409406  0.124235251507  0.001457132687  -0.001135652851  0.001955027266
  22  Al  6.076946168730  0.017551192775  6.090868342182  -0.018509875772  0.210103215631  0.099980503024  0.000139363226  0.001727477134  0.001144164480
  23  Al  6.154823016277  2.041691888662  4.028392823866  -0.206559279812  -0.007748115720  0.230891964608  0.003556743638  0.000837714625  -0.000265248281
  24  Al  4.074772672434  4.035450313490  0.111479142109  0.104963208428  -0.066036554551  -0.439984470077  0.001655074670  -0.001037219138  0.004763821038
  25  Al  4.013139226612  6.178029155187  2.121475388053  0.193888209046  -0.154869064568  -0.279897829189  -0.001536209711  0.004929074241  0.004384556552
  26  Al  6.019127812088  4.132220172554  1.954534139776  0.132529384631  -0.089603546317  0.235761136128  -0.002749703766  0.004307625884  -0.003164125510
  27  Al  6.032870049617  6.118971545084  0.092659371608  0.009311756972  -0.184143976653  -0.393916826590  -0.002127101322  0.001812218437  0.004078253549
  28  Al  4.071483593584  4.095069689751  4.123305633930  -0.062632569800  0.000320264104  -0.232942602455  0.000964143364  0.002352557541  0.003056744767
  29  Al  3.967237814895  6.103854942858  6.210155083416  0.376882154069  -0.067037025037  -0.218506622723  -0.003186722863  0.001314139851  0.006372981905
  30  Al  6.100337290562  3.954962253044  6.095414592704  -0.058694170099  0.314156640026  -0.125009912384  0.001230346407  -0.004423310891  0.000938621434
  31  Al  6.160851759319  6.037653570001  4.035159125836  -0.208831391665  0.142793563205  -0.139355326462  0.003968461308  -0.001597908557  -0.001328775878


MDSTEP:  44
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -75.866480333783  -0.211411879500  0.275969868655
  -0.211411879500  -76.658422070224  -1.593647646450
  0.275969868655  -1.593647646450  -69.809010801317
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.006219660103  8.071209987764  8.047993601759  0.291248188574  0.030858756376  -0.122832521789  -0.003996884418  -0.001383737839  -0.003111843529
  1  Al  8.059365274819  1.960578591569  1.933359569726  0.217775593722  0.175250967548  0.034020291373  -0.001412402337  -0.002824367193  -0.004626731460
  2  Al  1.970167955125  8.007174653448  1.979614114985  0.054455018102  0.264852193344  0.196724227883  -0.002553484066  -0.004347302003  -0.001765314012
  3  Al  1.964258428560  1.994974986901  8.074517880029  -0.007552888262  -0.039520126154  -0.154767348618  -0.003049309463  -0.001640631074  -0.002001091089
  4  Al  0.021786785825  8.028497842604  4.185962732251  0.169235899446  0.117968649768  -0.476049189044  0.001641795390  -0.003455043952  0.005738054733
  5  Al  0.012493760123  2.021586928585  6.126717751761  -0.004197834853  -0.079133621281  -0.189888299689  0.000595667254  -0.000388370773  0.002179038001
  6  Al  1.995957740058  8.093630898735  6.056049549744  -0.004446070266  0.190743956968  0.122570945127  -0.001663339348  0.000440030633  -0.000678226322
  7  Al  2.016729855664  2.041502027553  4.108703800561  -0.048201997160  -0.118749218960  -0.042365390761  -0.000553508410  0.000486832207  0.003075562752
  8  Al  8.060009578538  4.132374253071  7.979726376178  -0.001439826205  -0.228896361767  0.277929176034  -0.002055466637  0.003560616170  -0.005452821930
  9  Al  0.028835319755  6.062802664172  2.019840952405  -0.072001748665  -0.012029312799  0.093445529551  0.001371763964  -0.000653601188  0.000102742706
  10  Al  2.077667390692  3.960951040279  2.017241037616  -0.204768047244  0.420376074739  0.272191715146  0.002228651157  -0.003095155150  0.000349037854
  11  Al  2.042272478049  6.106245270445  0.109395298781  -0.132268478259  -0.040141343638  -0.040767916706  0.000423524564  0.001573225602  0.005834359897
  12  Al  8.056685220237  4.083902146901  3.977133643908  0.318508285731  -0.110023100601  0.230628922384  -0.001306930868  0.001613877604  -0.002974364692
  13  Al  0.007453852060  6.042424430558  5.993686480541  -0.068309735444  0.021917249742  0.225990211733  0.000244665998  -0.001582603806  -0.003625746405
  14  Al  2.004531472809  4.007645020020  6.107208797186  -0.087501971993  -0.100297997923  -0.216866146050  -0.001423833038  -0.002666404971  0.001067056394
  15  Al  2.105347998786  6.085144173821  3.954848808937  -0.348012322706  -0.148335423699  0.185376537560  0.003088054422  0.000120902364  -0.004691420956
  16  Al  4.155950628393  0.113248532250  0.002962403985  -0.038437070004  -0.180294574775  0.210395221704  0.005300927063  0.005496000576  0.000852852965
  17  Al  3.933290397618  1.929864920557  2.008975675317  0.357284101718  0.178428062480  0.025640823708  -0.004898645842  -0.004376628018  -0.000838383552
  18  Al  6.150020810433  8.003358482152  1.915486473659  -0.298827230767  0.168725816936  0.246589724636  0.002865727184  -0.004771285344  -0.005015428304
  19  Al  6.103376244319  2.126477822148  7.963497697617  -0.201449540038  -0.422457495831  0.327483018893  0.000732104848  0.004105893956  -0.006481005935
  20  Al  4.078687300120  0.111119809629  4.059438474340  -0.172169683794  -0.359275796178  -0.016933016377  0.000998790406  0.004653280755  0.000335714775
  21  Al  4.076273533898  1.994651442836  6.104201308390  0.021487927565  0.170555959559  0.121514267174  0.001461079022  -0.001105546180  0.001976997096
  22  Al  6.077015022958  0.018424322880  6.091444893515  -0.024504090037  0.204056252689  0.101637610382  0.000135517808  0.001764502693  0.001162188995
  23  Al  6.156592154971  2.042110399636  4.028270520514  -0.210124456898  -0.007443473954  0.225782248176  0.003519492412  0.000836356508  -0.000224421935
  24  Al  4.075604901587  4.034928752111  0.113841385480  0.105105335381  -0.062444441840  -0.455110637134  0.001673854647  -0.001048705246  0.004683800180
  25  Al  4.012379788489  6.180486769716  2.123655154997  0.205019803651  -0.156758027966  -0.291141870552  -0.001500547622  0.004901215003  0.004333506014
  26  Al  6.017758884221  4.134369980250  1.952962615459  0.141547238774  -0.102576247864  0.244254468475  -0.002725201513  0.004290445149  -0.003121212460
  27  Al  6.031806915188  6.119869423133  0.094680890442  0.005996835180  -0.188740508676  -0.416298562227  -0.002125732745  0.001778882832  0.004005820876
  28  Al  4.071962865612  4.096245982838  4.124823593863  -0.063325029332  -0.000228605748  -0.232252122144  0.000952882845  0.002352565735  0.003015156694
  29  Al  3.965661299961  6.104509016253  6.213331807201  0.382143901988  -0.067871150874  -0.218482934732  -0.003118866479  0.001302079157  0.006333915353
  30  Al  6.100949840157  3.952764640287  6.095878315522  -0.064726945327  0.334525188213  -0.134424808355  0.001219312648  -0.004365319202  0.000915428156
  31  Al  6.162826655285  6.036860998543  4.034488508764  -0.217543162578  0.146957702169  -0.133994175764  0.003930343730  -0.001572005003  -0.001353213127


MDSTEP:  45
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -75.470888334496  -0.208973859763  0.303409905174
  -0.208973859763  -76.319516047032  -1.633654526037
  0.303409905174  -1.633654526037  -69.255039211526
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.004234236583  8.070519498220  8.046432189425  0.299683700547  0.030930477570  -0.120432106398  -0.004013415277  -0.001402451051  -0.003188698217
  1  Al  8.058668808141  1.959174241628  1.931047724690  0.221686313297  0.179614246029  0.038049646979  -0.001397262210  -0.002841753615  -0.004701540366
  2  Al  1.968893647211  8.005012841244  1.978740251482  0.050143069842  0.284380355289  0.202178040344  -0.002588873929  -0.004373788719  -0.001760069921
  3  Al  1.962733436217  1.994152904829  8.073510416440  -0.011432457024  -0.040631580130  -0.146646280937  -0.003104661422  -0.001676774556  -0.002063702100
  4  Al  0.022615248304  8.026775593784  4.188810480390  0.171225338505  0.126665653659  -0.491370051554  0.001701640082  -0.003493549255  0.005750956031
  5  Al  0.012791406108  2.021389205954  6.127798782823  -0.002245381333  -0.080661681715  -0.197981949519  0.000605556447  -0.000409737430  0.002182073216
  6  Al  1.995125871646  8.093859440237  6.055715915460  0.000835549195  0.184436833183  0.126011151155  -0.001692919113  0.000481899704  -0.000667539666
  7  Al  2.016450946847  2.041740135609  4.110239688219  -0.051119837103  -0.120634120458  -0.052194772747  -0.000572277802  0.000473616538  0.003121047000
  8  Al  8.058981780860  4.134144329570  7.977012388547  0.000928639457  -0.233549847170  0.287757293736  -0.002091660360  0.003581163390  -0.005497253366
  9  Al  0.029517983285  6.062475325872  2.019896500740  -0.075517525371  -0.012194473501  0.091964449163  0.001382467619  -0.000667299022  0.000121416542
  10  Al  2.078772563212  3.959422253363  2.017427723415  -0.214935139134  0.418048551649  0.278841916057  0.002229662976  -0.003073313522  0.000405304323
  11  Al  2.042478327978  6.107030088942  0.112310656419  -0.133461363012  -0.044256805159  -0.056502093941  0.000406798795  0.001593214360  0.005928113543
  12  Al  8.056045992009  4.084704167710  3.975656770592  0.326009512281  -0.119610234574  0.231358982355  -0.001271281700  0.001621369009  -0.002984643848
  13  Al  0.007573131638  6.041634108348  5.991883709020  -0.069277945450  0.022074424710  0.234838204284  0.000236452118  -0.001606433323  -0.003647586172
  14  Al  2.003815644983  4.006307334250  6.107732631545  -0.086031368912  -0.092515816865  -0.223278762013  -0.001464658995  -0.002730836640  0.001045780916
  15  Al  2.106876469972  6.085197994462  3.952511384724  -0.355548751180  -0.152186834371  0.203298574929  0.003078356653  0.000095689595  -0.004738565454
  16  Al  4.158599373802  0.115988473435  0.003398235058  -0.041290262188  -0.192866500194  0.209643203676  0.005386895697  0.005558705661  0.000906062651
  17  Al  3.930857045168  1.927684582218  2.008557629677  0.360843962564  0.182860850265  0.031158891319  -0.004919463763  -0.004420727963  -0.000847960125
  18  Al  6.151440316555  8.000980381463  1.912989781978  -0.297580471930  0.185784551399  0.257271034550  0.002861867489  -0.004822942345  -0.005057792156
  19  Al  6.103733292021  2.128511885428  7.960271833023  -0.197764033210  -0.435613266540  0.351822293144  0.000708662530  0.004100039836  -0.006533182836
  20  Al  4.079178999400  0.113430390508  4.059605574828  -0.177350784716  -0.366026496719  -0.012560210542  0.000984558646  0.004669131062  0.000338935579
  21  Al  4.077005033911  1.994106293536  6.105195238582  0.017512158882  0.174406531302  0.116596369640  0.001490321298  -0.001093606462  0.002033425628
  22  Al  6.077081686538  0.019315695467  6.092030531177  -0.027541086913  0.197241512779  0.100900055259  0.000133166385  0.001832039689  0.001201052272
  23  Al  6.158342508689  2.042528245169  4.028168401931  -0.209990023350  -0.007506786516  0.219875503546  0.003543167413  0.000849704538  -0.000187826465
  24  Al  4.076446527081  4.034401608244  0.116162942288  0.102193570214  -0.058513761924  -0.469560989658  0.001722149160  -0.001078151409  0.004682050281
  25  Al  4.011638678990  6.182930370190  2.125808894067  0.213382563798  -0.158600656099  -0.300468677274  -0.001488873426  0.004958718618  0.004355894927
  26  Al  6.016402610575  4.136510617703  1.951412927316  0.153845215199  -0.115907886658  0.254926738968  -0.002746254341  0.004346020648  -0.003130690537
  27  Al  6.030744316872  6.120750427916  0.096665192484  0.005777145094  -0.193271294752  -0.438912275791  -0.002162044561  0.001775413912  0.003998467053
  28  Al  4.072436476429  4.097422255487  4.126320790624  -0.066830730656  -0.000707953143  -0.231969178705  0.000957799685  0.002393852508  0.003025950039
  29  Al  3.964118948416  6.105157022016  6.216488998769  0.384357858607  -0.068274550166  -0.220379280381  -0.003103984763  0.001312592013  0.006405378991
  30  Al  6.101556603210  3.950596933841  6.096330020860  -0.067437319761  0.355432434509  -0.145944026898  0.001228732178  -0.004379320803  0.000906021221
  31  Al  6.164782103049  6.036081564998  4.033805912709  -0.223070116240  0.151654124316  -0.128291692747  0.003959379113  -0.001572484967  -0.001400871116


MDSTEP:  46
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -75.055113693383  -0.204259554262  0.334853769611
  -0.204259554262  -75.967728251570  -1.671254643509
  0.334853769611  -1.671254643509  -68.693148295774
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.002240924698  8.069819655276  8.044832457045  0.304154464156  0.031149027117  -0.117654664378  -0.003959432580  -0.001396901188  -0.003209983003
  1  Al  8.057980086334  1.957761393512  1.928698655313  0.221438106616  0.185372066114  0.039314800594  -0.001357647206  -0.002809124102  -0.004694624040
  2  Al  1.967601451624  8.002838658584  1.977869253807  0.049986259791  0.304820834318  0.205596065041  -0.002579922439  -0.004321114557  -0.001723615210
  3  Al  1.961180594479  1.993312701334  8.072472010354  -0.010888392326  -0.040479661670  -0.137960255363  -0.003106656890  -0.001684025842  -0.002089145720
  4  Al  0.023473722056  8.025034481066  4.191663994341  0.169916954417  0.135517822718  -0.506579660107  0.001732137958  -0.003470110241  0.005661740045
  5  Al  0.013094083964  2.021180731690  6.128880969709  -0.004385160959  -0.080835519274  -0.203639398794  0.000604963681  -0.000424175164  0.002146168556
  6  Al  1.994279449438  8.094108634349  6.055387778280  0.010909878520  0.177581742404  0.131787624428  -0.001691869080  0.000514263905  -0.000644492641
  7  Al  2.016162522907  2.041971551576  4.111797878632  -0.048964219645  -0.121536023934  -0.062380727077  -0.000581225245  0.000451966701  0.003110804033
  8  Al  8.057935992190  4.135924471671  7.974276624512  -0.000983944252  -0.238698348821  0.297811678853  -0.002091665304  0.003538944741  -0.005444903921
  9  Al  0.030205841488  6.062141131272  2.019961319788  -0.083029727606  -0.013503372716  0.087984850273  0.001368293608  -0.000669596391  0.000137503880
  10  Al  2.079877787177  3.957904283222  2.017642839710  -0.220398899591  0.414802325037  0.283134033472  0.002190744426  -0.002998857253  0.000455544569
  11  Al  2.042675761700  6.107824717859  0.115272187567  -0.129882408026  -0.049809904016  -0.073903640737  0.000383256051  0.001584804864  0.005916455364
  12  Al  8.055424923666  4.085509505680  3.974174790331  0.329011076819  -0.129253634466  0.232104873211  -0.001212723331  0.001599120758  -0.002943210513
  13  Al  0.007688260997  6.040831878405  5.990070413117  -0.073714469046  0.020612760018  0.246171705141  0.000223668699  -0.001602617120  -0.003604584232
  14  Al  2.003079469915  4.004937780507  6.108245541522  -0.079394066196  -0.083874260743  -0.227311007231  -0.001479447909  -0.002746605786  0.001005498515
  15  Al  2.108399755397  6.085239036563  3.950151189370  -0.358419488895  -0.157232797031  0.222128691561  0.003014528406  0.000068027703  -0.004700532562
  16  Al  4.161290975990  0.118759205202  0.003860637360  -0.040955792627  -0.205712924798  0.208398377728  0.005379542959  0.005523072947  0.000943435267
  17  Al  3.928413442882  1.925482392051  2.008135042406  0.368444386730  0.188792477900  0.034743286610  -0.004854265909  -0.004387502423  -0.000842068518
  18  Al  6.152857948560  7.998577214794  1.910472385823  -0.300669872950  0.203539168124  0.265664053486  0.002808384339  -0.004788137084  -0.005011042136
  19  Al  6.104078783305  2.130542433590  7.957020967935  -0.198085384507  -0.447220906732  0.377363899183  0.000673273877  0.004021115096  -0.006467994115
  20  Al  4.079663351207  0.115748594786  4.059774481180  -0.179184102791  -0.372137380630  -0.007893429022  0.000952684684  0.004603139742  0.000337107038
  21  Al  4.077750977348  1.993567286214  6.106217163211  0.017228013318  0.180047276343  0.113376355097  0.001493427044  -0.001061918547  0.002053985024
  22  Al  6.077147038654  0.020240531937  6.092635567509  -0.035290260980  0.190303186368  0.102525607203  0.000127549308  0.001866685907  0.001219238380
  23  Al  6.160104705917  2.042952761888  4.028084317055  -0.214965828548  -0.005650413699  0.213741852557  0.003505176665  0.000848528294  -0.000149061386
  24  Al  4.077312169676  4.033859916996  0.118482978221  0.102921798787  -0.054550131901  -0.484974559922  0.001740486326  -0.001088259240  0.004596715489
  25  Al  4.010903780401  6.185402640107  2.127973410688  0.226326385450  -0.161503232784  -0.312133875150  -0.001449563762  0.004930101561  0.004301128700
  26  Al  6.015036360230  4.138678446986  1.949858977181  0.162274332332  -0.130223476433  0.263471080167  -0.002717993481  0.004324016681  -0.003084346145
  27  Al  6.029663552828  6.121629495715  0.098644806790  0.001022444584  -0.199486019861  -0.462516768733  -0.002161436683  0.001740301690  0.003917879945
  28  Al  4.072912388961  4.098619150096  4.127823396704  -0.066201210591  -0.001608259479  -0.230840721843  0.000945906725  0.002393645441  0.002984575167
  29  Al  3.962584136692  6.105810266175  6.219681837390  0.390298088566  -0.070505220241  -0.219712977101  -0.003034731079  0.001300185201  0.006366035060
  30  Al  6.102167954875  3.948423161142  6.096776507825  -0.075009696975  0.376962900103  -0.155695090060  0.001215997517  -0.004313845187  0.000879054901
  31  Al  6.166751821451  6.035302101399  4.033099742559  -0.233509263577  0.154319902668  -0.122122059091  0.003918561246  -0.001545131110  -0.001423257925


MDSTEP:  47
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -74.634298214246  -0.200398514279  0.366606272749
  -0.200398514279  -75.608456757000  -1.706344991821
  0.366606272749  -1.706344991821  -68.126001669497
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.000274804003  8.069122597032  8.043222206423  0.312941189401  0.031191294551  -0.113586524464  -0.003977884724  -0.001417563329  -0.003291574067
  1  Al  8.057311160935  1.956365117526  1.926353100650  0.225281807822  0.188800688434  0.043649901452  -0.001342557938  -0.002828012302  -0.004775590516
  2  Al  1.966313724773  8.000691726688  1.977016636272  0.044311874199  0.325652702300  0.211154319077  -0.002619981126  -0.004345168166  -0.001718156526
  3  Al  1.959626779327  1.992468878987  8.071421270720  -0.015534722187  -0.042375285341  -0.127784518593  -0.003167643746  -0.001723327212  -0.002152744682
  4  Al  0.024347386262  8.023305483544  4.194472220435  0.171771929551  0.144907888866  -0.523154187543  0.001795922439  -0.003510001156  0.005674706279
  5  Al  0.013396369789  2.020965030790  6.129944951379  -0.002256958684  -0.083072694657  -0.212128889485  0.000615766070  -0.000447103128  0.002148767127
  6  Al  1.993434002566  8.094373704142  6.055071422819  0.015852911733  0.170465753071  0.135309886072  -0.001721333810  0.000555662941  -0.000632316816
  7  Al  2.015869721602  2.042192102310  4.113350492252  -0.052609437211  -0.124113912884  -0.073919300759  -0.000601436851  0.000438114099  0.003157047448
  8  Al  8.056890115555  4.137683274312  7.971567484626  0.001928709074  -0.243436333190  0.308814667438  -0.002131020354  0.003561760956  -0.005492320180
  9  Al  0.030886276893  6.061805729481  2.020034004620  -0.086566308018  -0.012619101774  0.086167542316  0.001378646927  -0.000684601879  0.000155959371
  10  Al  2.080963307638  3.956423396111  2.017883267984  -0.231527195632  0.411130411581  0.289616122319  0.002190890099  -0.002980174554  0.000516303422
  11  Al  2.042861584029  6.108614893806  0.118227111782  -0.131567400373  -0.053550681515  -0.090109781021  0.000366668687  0.001605273845  0.006013078754
  12  Al  8.054833268677  4.086303288468  3.972713560079  0.336437032995  -0.139431090575  0.231538199365  -0.001174978471  0.001604801131  -0.002956477683
  13  Al  0.007796800337  6.040031491228  5.988279124788  -0.074131459826  0.021552217194  0.255222823783  0.000214419717  -0.001628995978  -0.003626883882
  14  Al  2.002336197074  4.003560728465  6.108738130060  -0.078215306279  -0.075279147804  -0.233723228480  -0.001521700701  -0.002812893146  0.000982465200
  15  Al  2.109890998378  6.085266022165  3.947810852162  -0.366919049662  -0.160401090193  0.240179938814  0.003005303832  0.000040378765  -0.004747057901
  16  Al  4.163978916761  0.121511546382  0.004341670326  -0.044201716193  -0.218945960676  0.207973898827  0.005473224752  0.005588537696  0.000999150259
  17  Al  3.926002779259  1.923297079795  2.007715561159  0.371217342010  0.192581384125  0.040716373506  -0.004878427380  -0.004435497112  -0.000851073583
  18  Al  6.154248700894  7.996192244379  1.907978739843  -0.297601041605  0.222050877739  0.276861393853  0.002806846604  -0.004839658835  -0.005056115991
  19  Al  6.104406565899  2.132533000524  7.953803838908  -0.192954518201  -0.461387046815  0.404130682255  0.000650351465  0.004014177941  -0.006518774210
  20  Al  4.080131684084  0.118033530250  4.059942681865  -0.184546243354  -0.378266614254  -0.004046823628  0.000937518422  0.004621587439  0.000342376057
  21  Al  4.078498460956  1.993044374989  6.107249223606  0.012609390396  0.183291128375  0.107654827910  0.001524305318  -0.001048847733  0.002112848246
  22  Al  6.077209235846  0.021182381374  6.093249769557  -0.037708332768  0.182748830831  0.101459408665  0.000123305339  0.001935864178  0.001260808705
  23  Al  6.161847685355  2.043376773463  4.028019340546  -0.213642483913  -0.006355815260  0.205974899374  0.003532231589  0.000863434825  -0.000113642225
  24  Al  4.078187013407  4.033313349004  0.120759657777  0.099075126352  -0.050262474636  -0.498861223338  0.001791704382  -0.001118326659  0.004593779909
  25  Al  4.010189115228  6.187860471751  2.130110022766  0.234779345675  -0.162345412467  -0.321778769868  -0.001434897370  0.004993567357  0.004324492198
  26  Al  6.013684617094  4.140834634384  1.948328581171  0.176034477291  -0.144609781189  0.274730568950  -0.002738429961  0.004380518516  -0.003093483444
  27  Al  6.028582880189  6.122490729607  0.100583072430  0.001469320887  -0.203260779231  -0.485211146165  -0.002201966455  0.001736433169  0.003905432913
  28  Al  4.073382383154  4.099815900927  4.129305365790  -0.069941150366  -0.002571311438  -0.230984634766  0.000951342512  0.002438400081  0.002998787889
  29  Al  3.961084217337  6.106457207217  6.222855033828  0.391543131667  -0.070339162813  -0.221038143759  -0.003020740905  0.001311873092  0.006445929208
  30  Al  6.102772600727  3.946283088654  6.097209075761  -0.077210619176  0.398575022667  -0.168056492658  0.001225061761  -0.004324548530  0.000866141719
  31  Al  6.168700664294  6.034536433888  4.032382654785  -0.238119645608  0.159675496978  -0.116771789447  0.003949492548  -0.001545666313  -0.001471854978


MDSTEP:  48
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -74.192133474078  -0.194180654661  0.403057279361
  -0.194180654661  -75.235238375352  -1.738691837386
  0.403057279361  -1.738691837386  -67.551309020963
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.998299850000  8.068415209607  8.041571342112  0.318067699688  0.031138375683  -0.110859564792  -0.003921472983  -0.001411991102  -0.003311639386
  1  Al  8.056649951982  1.954959550698  1.923967256527  0.225278914739  0.194070055029  0.045095819687  -0.001302278134  -0.002793783933  -0.004767656712
  2  Al  1.965005714934  7.998533699163  1.976166996531  0.043278873723  0.347061663640  0.214208419191  -0.002612150576  -0.004285027985  -0.001680129404
  3  Al  1.958042263057  1.991605321221  8.070339186457  -0.015365385625  -0.042656365975  -0.118708063813  -0.003170406194  -0.001730928980  -0.002174780941
  4  Al  0.025253025625  8.021556960296  4.197286188771  0.170270762583  0.154389102121  -0.537941816326  0.001826500810  -0.003483244221  0.005579845060
  5  Al  0.013704151939  2.020737765906  6.131009852857  -0.003962764093  -0.083525700028  -0.217916660744  0.000615210031  -0.000461996905  0.002110321364
  6  Al  1.992574044281  8.094659155370  6.054761312715  0.026055689479  0.162606000730  0.141613933261  -0.001717587211  0.000585439316  -0.000607560025
  7  Al  2.015566651554  2.042405611512  4.114925711810  -0.051020844275  -0.125178579156  -0.084164548530  -0.000610701323  0.000415827529  0.003142914865
  8  Al  8.055824691591  4.139453273274  7.968835128441  0.000900612166  -0.248307153781  0.318491581505  -0.002130767414  0.003517799442  -0.005436239453
  9  Al  0.031571730874  6.061462864472  2.020115835963  -0.093706527454  -0.013475986418  0.081447266290  0.001362530666  -0.000686934761  0.000170944014
  10  Al  2.082048403505  3.954951686215  2.018154365431  -0.237623304358  0.406941520846  0.293426991325  0.002148948382  -0.002907039512  0.000568427057
  11  Al  2.043039037357  6.109415137032  0.121229623285  -0.128341353052  -0.059057391758  -0.109285105823  0.000343433031  0.001595206764  0.005995252994
  12  Al  8.054260818056  4.087099456514  3.971245670911  0.339891082322  -0.149630304950  0.232440157911  -0.001114515224  0.001578959251  -0.002914998352
  13  Al  0.007900696545  6.039217956616  5.986477091215  -0.077929913081  0.020535921942  0.267336914695  0.000200825540  -0.001625233328  -0.003580167418
  14  Al  2.001571850527  4.002150916941  6.109218915315  -0.071928037695  -0.065882741989  -0.237512293637  -0.001535123408  -0.002825512917  0.000940337084
  15  Al  2.111377249145  6.085279041677  3.945448059168  -0.370322950591  -0.165217925213  0.260558506449  0.002939394928  0.000011268660  -0.004702292245
  16  Al  4.166713553336  0.124296028424  0.004850541814  -0.044648312689  -0.232431145757  0.205511038931  0.005465281623  0.005548184907  0.001036115515
  17  Al  3.923580158851  1.921087939558  2.007291844375  0.377840648711  0.198238158322  0.044324026707  -0.004811462134  -0.004400558126  -0.000843471033
  18  Al  6.155638821537  7.993782340556  1.905463057452  -0.299381097901  0.241107289176  0.285496205499  0.002753476830  -0.004798252828  -0.005005841626
  19  Al  6.104723116634  2.134519465660  7.950562516299  -0.192230730296  -0.473872418354  0.430421546872  0.000615916181  0.003930566418  -0.006444165841
  20  Al  4.080592194144  0.120327415588  4.060113689002  -0.186625563439  -0.384130130975  0.001786223631  0.000904335929  0.004553429719  0.000342173961
  21  Al  4.079261177250  1.992528144170  6.108310459861  0.011331543292  0.188257324281  0.104093076473  0.001526445620  -0.001015631569  0.002131778356
  22  Al  6.077269202967  0.022158482270  6.093884709109  -0.045252032504  0.174791298498  0.102885954668  0.000115888742  0.001967828009  0.001279077033
  23  Al  6.163604251407  2.043808206773  4.027971726437  -0.217480019351  -0.005142204449  0.199562471579  0.003493689548  0.000862406910  -0.000077387476
  24  Al  4.079087294220  4.032751938960  0.123034248815  0.098557879237  -0.045901043107  -0.514793507231  0.001809372630  -0.001126923608  0.004503159906
  25  Al  4.009482161095  6.190349998648  2.132257885470  0.247448660840  -0.164720557082  -0.334008347948  -0.001391786533  0.004964327894  0.004265865301
  26  Al  6.012323270791  4.143018429636  1.946794119806  0.185514360925  -0.159667543185  0.283407378539  -0.002706107755  0.004353316342  -0.003043586313
  27  Al  6.027481962640  6.123349860508  0.102514100122  -0.002716506209  -0.209034388293  -0.510553146889  -0.002202077952  0.001699574278  0.003816412302
  28  Al  4.073854928065  4.101034986031  4.130794434804  -0.070115767540  -0.003670935706  -0.229011743191  0.000938821524  0.002437842029  0.002957664543
  29  Al  3.959591348722  6.107109999628  6.226068118107  0.396453762717  -0.071776986281  -0.219927917844  -0.002950294549  0.001299168010  0.006406507159
  30  Al  6.103381680320  3.944138630549  6.097634634556  -0.084233019372  0.421093988639  -0.178205867365  0.001210628815  -0.004251270710  0.000835186113
  31  Al  6.170664766706  6.033770738169  4.031641507638  -0.248006360898  0.163048803552  -0.109218929078  0.003906033233  -0.001516814993  -0.001492058386


MDSTEP:  49
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -73.745241309538  -0.188862180092  0.439968221083
  -0.188862180092  -74.855579471884  -1.768160345921
  0.439968221083  -1.768160345921  -66.971452611896
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.996353331020  8.067710605931  8.039910567036  0.327294816640  0.030084270419  -0.107867068957  -0.003941664085  -0.001434870431  -0.003398343593
  1  Al  8.056008882801  1.953571333593  1.921585443938  0.229152621565  0.196914590319  0.050281304489  -0.001287084671  -0.002814442692  -0.004855064620
  2  Al  1.963701574197  7.996406698702  1.975336506868  0.038525880283  0.367864305340  0.220584587740  -0.002657345605  -0.004306203346  -0.001674343729
  3  Al  1.956456373133  1.990737950007  8.069246489779  -0.018787983813  -0.045177592860  -0.109027327835  -0.003237430083  -0.001773831629  -0.002239389964
  4  Al  0.026173887072  8.019822239323  4.200052065495  0.172184127273  0.163297356995  -0.553185285758  0.001894551779  -0.003524486018  0.005592811279
  5  Al  0.014011579821  2.020503033885  6.132055272743  -0.001640731664  -0.086264745738  -0.227493789388  0.000627100390  -0.000486794964  0.002112239174
  6  Al  1.991716415355  8.094959143458  6.054463862794  0.032699518305  0.153573732320  0.144501268685  -0.001746851781  0.000626076635  -0.000593713117
  7  Al  2.015259020279  2.042607929839  4.116493407118  -0.053494100971  -0.128481504978  -0.094845277740  -0.000632543750  0.000401075629  0.003189943805
  8  Al  8.054759348141  4.141201073754  7.966131245174  0.004451301089  -0.251932162683  0.328250444336  -0.002173231327  0.003543088729  -0.005486839406
  9  Al  0.032248807558  6.061118794720  2.020204948634  -0.096906527512  -0.012026904350  0.079980233330  0.001372612386  -0.000703107893  0.000189112317
  10  Al  2.083112256020  3.953516356599  2.018451695040  -0.247899059143  0.403294665799  0.300190211532  0.002147986573  -0.002891744953  0.000634024125
  11  Al  2.043205017060  6.110210100570  0.124222364777  -0.128696459528  -0.062612496981  -0.128053333350  0.000326913749  0.001616266483  0.006094459721
  12  Al  8.053718753453  4.087882247719  3.969798561727  0.347432249809  -0.159206223544  0.233093823545  -0.001074296780  0.001582621594  -0.002931301548
  13  Al  0.007997625876  6.038406257900  5.984698957370  -0.077654494724  0.022151700481  0.276086570610  0.000190684267  -0.001654101615  -0.003602775462
  14  Al  2.000801073666  4.000735215548  6.109678467143  -0.069472227982  -0.055496901251  -0.244575847635  -0.001578964330  -0.002893539605  0.000915325291
  15  Al  2.112830393307  6.085277290825  3.943108559917  -0.377896113193  -0.167641099651  0.281100500589  0.002930408638  -0.000018861393  -0.004747681007
  16  Al  4.169444198384  0.127059731289  0.005377785841  -0.048757530243  -0.247271605763  0.203055752287  0.005566932039  0.005616275672  0.001094263394
  17  Al  3.921191317125  1.918896521670  2.006872090127  0.379937142505  0.201305321228  0.051327190297  -0.004839341210  -0.004452825664  -0.000851750200
  18  Al  6.157002177725  7.991393991551  1.902972898217  -0.296773199058  0.259962419001  0.297838768033  0.002754611321  -0.004849277764  -0.005053548431
  19  Al  6.105022482080  2.136463566942  7.947359673067  -0.187544014500  -0.488767651857  0.456982958281  0.000593695835  0.003922004670  -0.006493134824
  20  Al  4.081036020013  0.122586959969  4.060284855826  -0.192448381532  -0.390833341454  0.007488857675  0.000887993464  0.004574540018  0.000349917404
  21  Al  4.080024906576  1.992028743420  6.109381001962  0.005896590424  0.190588640218  0.096990500134  0.001558786944  -0.001001553393  0.002193089851
  22  Al  6.077325124588  0.023150209383  6.094528846591  -0.048966374752  0.165562564057  0.100727050800  0.000109631978  0.002038536235  0.001323430460
  23  Al  6.165341374903  2.044239180373  4.027941953070  -0.216796264437  -0.006547965425  0.192529347195  0.003524508748  0.000878725151  -0.000043188133
  24  Al  4.079996386037  4.032186425396  0.125262817683  0.093627825346  -0.040284615432  -0.530041208653  0.001863373571  -0.001157500389  0.004498644233
  25  Al  4.008797328694  6.192824799646  2.134375888067  0.255750105504  -0.164655257193  -0.343149488433  -0.001373949742  0.005034359294  0.004290098886
  26  Al  6.010978509339  4.145187950726  1.945284994857  0.198828826529  -0.173899741311  0.295537530581  -0.002725604848  0.004410648702  -0.003052138352
  27  Al  6.026380802237  6.124190303885  0.104399484731  -0.003410546537  -0.212352912997  -0.535607594649  -0.002247026240  0.001695403192  0.003797932234
  28  Al  4.074321204678  4.102253742956  4.132263030334  -0.074401602316  -0.003938083921  -0.227362809200  0.000944566105  0.002486290100  0.002975663157
  29  Al  3.958133922788  6.107756375228  6.229261540987  0.396642074079  -0.070734079191  -0.221703606999  -0.002937435149  0.001312359434  0.006495372134
  30  Al  6.103983229543  3.942031817944  6.098044261874  -0.087408772157  0.444320080343  -0.191868098142  0.001219378703  -0.004258040867  0.000818270536
  31  Al  6.172606697527  6.033019618895  4.030890596399  -0.253468695291  0.169205240058  -0.101766163400  0.003939035836  -0.001517088922  -0.001541377436


MDSTEP:  50
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -73.280047982398  -0.180587740129  0.481193662860
  -0.180587740129  -74.460281117890  -1.794187373293
  0.481193662860  -1.794187373293  -66.382669724633
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.994397128938  8.066994515471  8.038206573621  0.333214053164  0.030229382619  -0.103591761840  -0.003882615067  -0.001429478433  -0.003417247860
  1  Al  8.055375583506  1.952172914258  1.919160159184  0.229398580006  0.202542957213  0.052728515126  -0.001246090524  -0.002778731475  -0.004845855616
  2  Al  1.962374623487  7.994270040431  1.974509195056  0.035909982649  0.390358730481  0.224579028299  -0.002650691093  -0.004238418752  -0.001634546422
  3  Al  1.954836818275  1.989849014770  8.068121921314  -0.019849524539  -0.045215041331  -0.098021752235  -0.003240884249  -0.001781912666  -0.002257900003
  4  Al  0.027128859530  8.018067295647  4.202823743951  0.170751231268  0.173392381135  -0.569264146185  0.001925209953  -0.003494386198  0.005492465107
  5  Al  0.014325056676  2.020255780399  6.133101223440  -0.003023226190  -0.086240342340  -0.234255097844  0.000626683436  -0.000502216795  0.002070959156
  6  Al  1.990844451121  8.095279046466  6.054173465390  0.042001559267  0.145303662916  0.150097309825  -0.001740173558  0.000652796059  -0.000567376216
  7  Al  2.014940357237  2.042802724577  4.118084139470  -0.052986625836  -0.129241595601  -0.106689918989  -0.000642063051  0.000378035369  0.003171926703
  8  Al  8.053672931449  4.142961356842  7.963402498147  0.004168554801  -0.257120806588  0.339083728066  -0.002172460718  0.003497579760  -0.005427180212
  9  Al  0.032930782064  6.060766703175  2.020303079880  -0.103759757172  -0.013154069101  0.075717789114  0.001354672964  -0.000705359053  0.000203031608
  10  Al  2.084175168307  3.952088511249  2.018782125497  -0.255387308212  0.397974774983  0.304483060117  0.002102993134  -0.002820112041  0.000688081481
  11  Al  2.043362721249  6.111015435055  0.127263870700  -0.126729886810  -0.068798108170  -0.147141827198  0.000304078818  0.001604518469  0.006069857472
  12  Al  8.053197135160  4.088666442055  3.968343330163  0.350850727721  -0.170055208424  0.232699562419  -0.001011870785  0.001553185859  -0.002889659954
  13  Al  0.008089496882  6.037580197266  5.982909910609  -0.080751018544  0.020820582466  0.287589164808  0.000176522928  -0.001650259923  -0.003552383257
  14  Al  2.000008486118  3.999285965054  6.110125197336  -0.064269575435  -0.045725367440  -0.249120692114  -0.001590920751  -0.002902588803  0.000871189176
  15  Al  2.114278705805  6.085260366632  3.940747284505  -0.382684786020  -0.172737440413  0.301183945814  0.002862413253  -0.000049290989  -0.004695625196
  16  Al  4.172225484959  0.129856816173  0.005933994057  -0.049971197995  -0.260771407766  0.201145673446  0.005558105761  0.005570856992  0.001130398710
  17  Al  3.918788629574  1.916679107113  2.006448509334  0.385450074781  0.207424209669  0.056085890166  -0.004770916143  -0.004416285539  -0.000842147548
  18  Al  6.158366217730  7.988980972895  1.900459437287  -0.296429912280  0.280390955377  0.307872374168  0.002701579390  -0.004800970562  -0.004999398291
  19  Al  6.105310946847  2.138402721539  7.944133532628  -0.184889280595  -0.501051447043  0.485430139989  0.000560400567  0.003833515555  -0.006408883771
  20  Al  4.081471414372  0.124856759868  4.060460149278  -0.195020684951  -0.395900812194  0.012587726729  0.000853354008  0.004504206551  0.000351712237
  21  Al  4.080804563624  1.991536485968  6.110481882327  0.003776594867  0.195867477865  0.091913088866  0.001559651720  -0.000967004494  0.002209977696
  22  Al  6.077377751798  0.024176878087  6.095195064284  -0.055257374158  0.157324487065  0.100947638512  0.000100314450  0.002067402105  0.001341460032
  23  Al  6.167093938562  2.044678250257  4.027928964996  -0.219024754696  -0.004771304079  0.184424001488  0.003485546662  0.000877713216  -0.000009488775
  24  Al  4.080932257952  4.031605874494  0.127488447148  0.092031626547  -0.036079978256  -0.544794547682  0.001879971392  -0.001164327329  0.004402554690
  25  Al  4.008121785761  6.195334619262  2.136505598852  0.268081935838  -0.167184368470  -0.354704821885  -0.001327119534  0.005004693070  0.004227711213
  26  Al  6.009624594492  4.147385501821  1.943772136103  0.210154816256  -0.190011594416  0.305653361922  -0.002689042004  0.004378115290  -0.002998392318
  27  Al  6.025257136667  6.125028513382  0.106274509382  -0.006112651320  -0.218589089258  -0.560655498406  -0.002247877607  0.001656877287  0.003699927102
  28  Al  4.074790162006  4.103496711975  4.133740698877  -0.074873680138  -0.005646268125  -0.226227558021  0.000931221002  0.002485433266  0.002935112505
  29  Al  3.956682934971  6.108409393157  6.232499316983  0.400300913639  -0.072501497341  -0.221199272749  -0.002866189020  0.001299554277  0.006455776936
  30  Al  6.104589011754  3.939922658458  6.098444820707  -0.093135029857  0.467143291108  -0.203707909941  0.001203238218  -0.004176556698  0.000782906325
  31  Al  6.174564885486  6.032268637848  4.030115358770  -0.261934376057  0.172022853461  -0.094847193784  0.003892959173  -0.001486583376  -0.001558954529


MDSTEP:  51
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -72.808914536181  -0.173508345672  0.524592442436
  -0.173508345672  -74.057919857821  -1.817310619769
  0.524592442436  -1.817310619769  -65.791424725532
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.992470715953  8.066281127497  8.036493319176  0.341513525101  0.029255407579  -0.099969149578  -0.003904420053  -0.001454759795  -0.003509259440
  1  Al  8.054762792278  1.950792602118  1.916739588322  0.231861171041  0.206407167500  0.057046149384  -0.001230741517  -0.002801089438  -0.004939948172
  2  Al  1.961050883104  7.992168279950  1.973701960447  0.031432197824  0.412102430500  0.229923902657  -0.002701493674  -0.004256203829  -0.001628160742
  3  Al  1.953215488884  1.988956037341  8.066988589776  -0.022299140966  -0.046608066736  -0.087613868359  -0.003314366329  -0.001828583818  -0.002323365103
  4  Al  0.028099097025  8.016327853125  4.205544530603  0.171136881869  0.182824794087  -0.584667196527  0.001997795927  -0.003536936169  0.005505098110
  5  Al  0.014638263256  2.020000817090  6.134126231899  -0.001802279405  -0.087731410893  -0.242903936808  0.000639707578  -0.000528894453  0.002071881205
  6  Al  1.989976241796  8.095611939517  6.053896486578  0.049668709401  0.136016061361  0.154363667368  -0.001769191279  0.000692512063  -0.000551763354
  7  Al  2.014616957228  2.042985965209  4.119665333821  -0.054749819237  -0.131343469612  -0.117742426959  -0.000665696805  0.000362361116  0.003219582970
  8  Al  8.052586887423  4.144698653515  7.960704064962  0.006933766843  -0.260994114704  0.349143265096  -0.002218123956  0.003525413830  -0.005480938681
  9  Al  0.033603480523  6.060413435666  2.020407980242  -0.108091223504  -0.012671752106  0.072854467955  0.001364432974  -0.000722872689  0.000220961542
  10  Al  2.085215249153  3.950696244558  2.019139776521  -0.264868513929  0.393420659950  0.309775207171  0.002100667856  -0.002808434157  0.000758959601
  11  Al  2.043509095878  6.111814619039  0.130292222249  -0.126312349675  -0.073941750190  -0.166924610172  0.000287504359  0.001625957849  0.006171592768
  12  Al  8.052706882669  4.089435433578  3.966908901773  0.357219187266  -0.180119833060  0.233050254761  -0.000968950646  0.001554579314  -0.002909214354
  13  Al  0.008174148804  6.036755997977  5.981146574113  -0.081267175467  0.021273438153  0.297614492756  0.000165520151  -0.001681873084  -0.003575268275
  14  Al  1.999210152915  3.997832626745  6.110549656319  -0.060971867770  -0.035004245759  -0.255029570059  -0.001636540051  -0.002972325544  0.000843868340
  15  Al  2.115692806559  6.085227999836  3.938412934721  -0.389723888899  -0.176426389981  0.322175643906  0.002853378118  -0.000082235722  -0.004739589302
  16  Al  4.175002304145  0.132630588281  0.006508184551  -0.053612367519  -0.275637093091  0.198227958792  0.005668066968  0.005641566555  0.001191157094
  17  Al  3.916420400982  1.914480236131  2.006029942579  0.388145148232  0.211879455839  0.062162761325  -0.004802778405  -0.004472882210  -0.000849443301
  18  Al  6.159703757114  7.986593020989  1.897973499925  -0.293721792647  0.300321467306  0.319716705290  0.002705732331  -0.004851092643  -0.005049502975
  19  Al  6.105582882646  2.140297082497  7.940950789295  -0.180237054129  -0.514976067294  0.513181953381  0.000539097861  0.003823098055  -0.006455390551
  20  Al  4.081889374022  0.127091166519  4.060636568063  -0.199572797894  -0.402045721806  0.018531047555  0.000835654705  0.004528114573  0.000362110833
  21  Al  4.081584558296  1.991061738926  6.111590979657  -0.001237935337  0.199305132717  0.085495445948  0.001593393949  -0.000951694179  0.002273661847
  22  Al  6.077425439038  0.025217611488  6.095870306623  -0.059737034516  0.147615400959  0.099356345754  0.000091968488  0.002139669078  0.001388574182
  23  Al  6.168826921565  2.045116893589  4.027932464295  -0.218618775886  -0.005116123445  0.176666850590  0.003520470846  0.000895668685  0.000023282202
  24  Al  4.081876357429  4.031022098067  0.129665372373  0.087382009494  -0.030576191163  -0.560042633437  0.001936748193  -0.001195430906  0.004396253355
  25  Al  4.007470209160  6.197829492716  2.138603599280  0.277699624471  -0.167980833016  -0.365108388576  -0.001305792962  0.005081615694  0.004252813649
  26  Al  6.008289467335  4.149566066016  1.942286602539  0.223328985123  -0.205279832631  0.316923970710  -0.002707232498  0.004436084642  -0.003005961418
  27  Al  6.024132924630  6.125847181172  0.108099411834  -0.007286445774  -0.223160135909  -0.586475128138  -0.002297398711  0.001652136074  0.003674666995
  28  Al  4.075252425680  4.104739176222  4.135198142839  -0.078300718093  -0.006436017498  -0.224260612782  0.000937241150  0.002537731486  0.002957037185
  29  Al  3.955267733768  6.109055929504  6.235717317923  0.401165043645  -0.072542426220  -0.221758300978  -0.002854581496  0.001314230843  0.006554033678
  30  Al  6.105186467760  3.937855261246  6.098827168199  -0.096976707656  0.490830301266  -0.216818560934  0.001211729757  -0.004178811208  0.000761325193
  31  Al  6.176499656700  6.031533035519  4.029331641870  -0.268098362005  0.177339757898  -0.086895707092  0.003928199957  -0.001486620013  -0.001609046727


MDSTEP:  52
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -72.320196605615  -0.164374205645  0.571502170767
  -0.164374205645  -73.640140927806  -1.836970627068
  0.571502170767  -1.836970627068  -65.189985802989
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.990533771458  8.065555055306  8.034734220871  0.346347220785  0.029268797399  -0.095493243471  -0.003842925798  -0.001449527773  -0.003526733638
  1  Al  8.054157785631  1.949401283725  1.914272164178  0.230611959989  0.212571789419  0.058945692007  -0.001189396752  -0.002763633021  -0.004929578585
  2  Al  1.959701541275  7.990058598866  1.972898157591  0.030209975170  0.435163303197  0.233262607156  -0.002695982908  -0.004180458882  -0.001586752202
  3  Al  1.951557308956  1.988039662068  8.065822990916  -0.021592947105  -0.046137416734  -0.076130386709  -0.003318290250  -0.001836875198  -0.002338003721
  4  Al  0.029105644746  8.014567557243  4.208270945244  0.168186902724  0.193191038425  -0.600308907153  0.002028131229  -0.003503320624  0.005399162099
  5  Al  0.014958036484  2.019732448301  6.135151314783  -0.004656101643  -0.087080193764  -0.249379696838  0.000639130204  -0.000544522485  0.002027871402
  6  Al  1.989093866330  8.095964275417  6.053627504901  0.061106127148  0.126912629387  0.160709523734  -0.001759288088  0.000716017699  -0.000523596038
  7  Al  2.014281661528  2.043161274761  4.121269862262  -0.052474640920  -0.131461379616  -0.129554283225  -0.000675282595  0.000338866552  0.003197474823
  8  Al  8.051478135382  4.146449694087  7.957979202200  0.005776966141  -0.266193897347  0.359803555091  -0.002216987625  0.003478283601  -0.005417559345
  9  Al  0.034280865371  6.060051432899  2.020521717581  -0.116212400655  -0.014245054759  0.067798341605  0.001344380391  -0.000725279032  0.000233535802
  10  Al  2.086253743554  3.949309613241  2.019533103162  -0.270761094359  0.387345390962  0.313159160174  0.002052782955  -0.002738634234  0.000814649485
  11  Al  2.043647201941  6.112624292794  0.133370557163  -0.122423562531  -0.080929682298  -0.187456524294  0.000265267548  0.001612112454  0.006139911350
  12  Al  8.052238374915  4.090204671943  3.965464711858  0.359264604608  -0.191266158623  0.232699494087  -0.000904897511  0.001521377673  -0.002867576661
  13  Al  0.008253276266  6.035916012350  5.979372243236  -0.085261673661  0.019471580676  0.309922916298  0.000150632592  -0.001678230508  -0.003520954868
  14  Al  1.998389157470  3.996344899296  6.110960190759  -0.053957786789  -0.024529011281  -0.258940541769  -0.001646814679  -0.002977647774  0.000797919782
  15  Al  2.117102075101  6.085178995779  3.936057541205  -0.392968232707  -0.182042357639  0.343269911025  0.002783406005  -0.000114282570  -0.004680098949
  16  Al  4.177833941176  0.135439050680  0.007112623816  -0.054207286933  -0.289491254247  0.195500139439  0.005658427969  0.005591044487  0.001226356103
  17  Al  3.914036361728  1.912253265962  2.005607999582  0.394658352073  0.218570126292  0.066626227359  -0.004732796335  -0.004434400327  -0.000837929658
  18  Al  6.161043494021  7.984180898929  1.895463039660  -0.294454227496  0.321698740990  0.329646528131  0.002653149818  -0.004795484484  -0.004991450369
  19  Al  6.105844375046  2.142185612279  7.937746033068  -0.178639751869  -0.527056371186  0.542377508489  0.000507014533  0.003729941104  -0.006361024294
  20  Al  4.082298280542  0.129337252507  4.060818451810  -0.200878722048  -0.406654607107  0.024303684080  0.000799854627  0.004455817346  0.000365940227
  21  Al  4.082381199935  1.990594800705  6.112731632196  -0.002634645424  0.204846639707  0.080399462916  0.001593047743  -0.000915563301  0.002288492732
  22  Al  6.077468753058  0.026294044382  6.096569034907  -0.067779179633  0.138901886709  0.099658485516  0.000080568630  0.002165283518  0.001406365965
  23  Al  6.170577384808  2.045564499243  4.027952002341  -0.222229231201  -0.003026325531  0.168350278345  0.003481059351  0.000894940756  0.000054126485
  24  Al  4.082848637470  4.030423015870  0.131838465346  0.086087361332  -0.026124016323  -0.575192335185  0.001952256230  -0.001200499863  0.004294764166
  25  Al  4.006829725752  6.200362791880  2.140713685891  0.291479736591  -0.170649289558  -0.377346571823  -0.001254908737  0.005051342404  0.004186438710
  26  Al  6.006945833811  4.151774932402  1.940797788217  0.233598048642  -0.221953605900  0.326816709528  -0.002666383550  0.004397890280  -0.002948411464
  27  Al  6.022983899573  6.126663274031  0.109910530104  -0.011545748268  -0.230053615611  -0.612711684079  -0.002299082295  0.001611619091  0.003567460557
  28  Al  4.075717546241  4.106007754277  4.136666637062  -0.077802087062  -0.008470390347  -0.222520967880  0.000923285671  0.002536398864  0.002917095233
  29  Al  3.953858374953  6.109709802306  6.238984422246  0.405394448928  -0.074653916084  -0.220405086454  -0.002782475658  0.001301071596  0.006514504589
  30  Al  6.105787997814  3.935787795580  6.099198139084  -0.104178921789  0.514349856341  -0.228621236869  0.001193746588  -0.004088948825  0.000721503195
  31  Al  6.178451772778  6.030797652536  4.028523234300  -0.278063462040  0.179726764450  -0.079188759231  0.003879373483  -0.001454698523  -0.001623894558


MDSTEP:  53
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -71.830277339876  -0.155776707999  0.620105985929
  -0.155776707999  -73.215876731310  -1.853009645645
  0.620105985929  -1.853009645645  -64.585307034512
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.988627790155  8.064831599724  8.032966585538  0.355525486433  0.028392142506  -0.090092866383  -0.003866441991  -0.001477333298  -0.003624183038
  1  Al  8.053573395526  1.948028969097  1.911810009737  0.233636577564  0.216174881458  0.063859505182  -0.001174088017  -0.002787494386  -0.005030841591
  2  Al  1.958354900196  7.987987821068  1.972115208245  0.024032213783  0.457723869177  0.239222229303  -0.002752544958  -0.004194211289  -0.001579757936
  3  Al  1.949897198634  1.987119162143  8.064650586055  -0.025640127897  -0.047736509105  -0.063603572867  -0.003398332092  -0.001887376183  -0.002404133795
  4  Al  0.030127228254  8.012824532501  4.210943692701  0.168608683348  0.202931112021  -0.617024745546  0.002105209248  -0.003547044713  0.005411057950
  5  Al  0.015277393460  2.019456294605  6.136154103301  -0.003071461390  -0.088718504843  -0.258571901717  0.000653008454  -0.000573023325  0.002027700352
  6  Al  1.988216953708  8.096327957216  6.053372890540  0.067493684709  0.117198646469  0.164554981311  -0.001787675691  0.000754678492  -0.000505802442
  7  Al  2.013941674633  2.043324831760  4.122862808643  -0.055501077253  -0.133861676500  -0.142471289291  -0.000700565672  0.000322338465  0.003245566869
  8  Al  8.050369899798  4.148176937116  7.955286505617  0.009652515127  -0.270261517389  0.371095222546  -0.002266168085  0.003508604366  -0.005474354312
  9  Al  0.034947860914  6.059688156634  2.020641516043  -0.120271050152  -0.013415922698  0.065168509131  0.001353435052  -0.000744359091  0.000251023457
  10  Al  2.087268032108  3.947957610324  2.019954426006  -0.281776716703  0.381853190070  0.318584114003  0.002049103447  -0.002730794427  0.000891005862
  11  Al  2.043774363425  6.113426731493  0.136432133599  -0.123504354467  -0.086221603354  -0.206688157960  0.000248833422  0.001633616409  0.006243982858
  12  Al  8.051801985158  4.090956811251  3.964041325111  0.365606621394  -0.201615394002  0.231502352535  -0.000859265375  0.001520170444  -0.002890568006
  13  Al  0.008324781396  6.035077767469  5.977625619245  -0.084921432625  0.020248685444  0.319466406162  0.000138508570  -0.001712895478  -0.003543751567
  14  Al  1.997563338236  3.994854978971  6.111347576101  -0.052212593764  -0.013474341739  -0.265060884801  -0.001694102891  -0.003049072246  0.000768213836
  15  Al  2.118476212565  6.085113717266  3.933732835772  -0.401671720244  -0.185446755957  0.363384740307  0.002774261540  -0.000150493449  -0.004722282048
  16  Al  4.180660732114  0.138221632769  0.007734540654  -0.058513218607  -0.304662575419  0.193477130930  0.005777245345  0.005664302228  0.001289909195
  17  Al  3.911687604647  1.910045835804  2.005192012921  0.395975892664  0.222836026487  0.073546024299  -0.004768502941  -0.004495230774  -0.000844233825
  18  Al  6.162356906933  7.981797536505  1.892982049557  -0.289458773816  0.342529297470  0.342503557877  0.002660301664  -0.004844180126  -0.005043893536
  19  Al  6.106089897179  2.144027023601  7.934589765001  -0.171865619878  -0.541458189741  0.572150362707  0.000486534541  0.003717353508  -0.006404270189
  20  Al  4.082689228649  0.131546983865  4.061002508290  -0.205942947260  -0.412065289685  0.029175322912  0.000780907676  0.004482635199  0.000379181013
  21  Al  4.083177606039  1.990146175625  6.113879472389  -0.008368094883  0.207890606487  0.072775559368  0.001628394767  -0.000898715888  0.002354722014
  22  Al  6.077506007668  0.027382895006  6.097276672588  -0.070735273720  0.129107687132  0.097141412420  0.000069741521  0.002239201582  0.001456454279
  23  Al  6.172307980917  2.046011834345  4.027986590780  -0.220112181596  -0.003486763915  0.158984712921  0.003520049182  0.000914767615  0.000085292945
  24  Al  4.083828613659  4.029821598204  0.133960136539  0.080127584481  -0.020734958818  -0.588895940068  0.002012005008  -0.001232179843  0.004286326547
  25  Al  4.006215300423  6.202880835120  2.142790037990  0.300600715009  -0.170969147041  -0.387393584517  -0.001229406107  0.005135375900  0.004212045256
  26  Al  6.005623083784  4.153963956296  1.939338191074  0.248761122244  -0.237637474457  0.339374874449  -0.002683123405  0.004456224755  -0.002954777635
  27  Al  6.021833842335  6.127458800263  0.111666872391  -0.011051574815  -0.234221431594  -0.637498939170  -0.002353613289  0.001605942982  0.003534551008
  28  Al  4.076175711351  4.107275575086  4.138115238072  -0.081576390519  -0.009689488954  -0.221886224989  0.000929781444  0.002592618573  0.002943026595
  29  Al  3.952485258110  6.110357001100  6.242231822512  0.404763981001  -0.074232343987  -0.221060077917  -0.002771890963  0.001317147788  0.006622797303
  30  Al  6.106380214348  3.933766312421  6.099548671395  -0.106276190733  0.537990981233  -0.243156570130  0.001201743824  -0.004086032645  0.000694828729
  31  Al  6.180379030183  6.030078336996  4.027707747312  -0.282314277435  0.185032763244  -0.072562263009  0.003916659616  -0.001454541145  -0.001674827602


MDSTEP:  54
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -71.321529097034  -0.145063456302  0.674110997797
  -0.145063456302  -72.775515678159  -1.865469758231
  0.674110997797  -1.865469758231  -63.970428263463
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.986710461021  8.064094202194  8.031150466900  0.361896682508  0.027705453614  -0.086168199914  -0.003802304965  -0.001472318213  -0.003639940651
  1  Al  8.052996794989  1.946644884844  1.909297443438  0.233440520737  0.221394354748  0.066941524443  -0.001132331660  -0.002748376011  -0.005019148073
  2  Al  1.956979701948  7.985911175516  1.971336022424  0.021987367307  0.480719180767  0.243520212716  -0.002748430840  -0.004110315156  -0.001536601109
  3  Al  1.948196886483  1.986173340247  8.063445676100  -0.025237542383  -0.048019765139  -0.052578598442  -0.003402880519  -0.001895936725  -0.002414520397
  4  Al  0.031187369625  8.011060081092  4.213621640892  0.166381612369  0.213040392247  -0.631872086365  0.002135157139  -0.003509857160  0.005299407472
  5  Al  0.015603760394  2.019165817257  6.137156395406  -0.004589289610  -0.088873161574  -0.266232146009  0.000652323589  -0.000588899892  0.001980783247
  6  Al  1.987326132806  8.096710535199  6.053127344867  0.078557047688  0.107269453790  0.170259373176  -0.001774618861  0.000774745779  -0.000475870280
  7  Al  2.013588910919  2.043480017424  4.124479223662  -0.054003189090  -0.134898177357  -0.153562123365  -0.000710355274  0.000298311527  0.003219101695
  8  Al  8.049237247220  4.149919158706  7.952565916284  0.010461348639  -0.274740037739  0.380916829885  -0.002264369920  0.003459881619  -0.005407124975
  9  Al  0.035619202367  6.059315377402  2.020769940781  -0.127068670271  -0.014009229828  0.060713028970  0.001331323059  -0.000746810880  0.000262277176
  10  Al  2.088279988514  3.946609281810  2.020414169533  -0.288360465918  0.375894704717  0.322212042168  0.001998133593  -0.002663052310  0.000948292578
  11  Al  2.043893259536  6.114239685623  0.139544886141  -0.120110763364  -0.093011045354  -0.228625288466  0.000227054406  0.001617593139  0.006205066149
  12  Al  8.051388694955  4.091707884337  3.962606389180  0.368827177621  -0.212402934388  0.231940204210  -0.000793607522  0.001483157503  -0.002849136575
  13  Al  0.008390239723  6.034222224839  5.975868023495  -0.087197718464  0.019450350442  0.331042791808  0.000123121242  -0.001709346413  -0.003485596513
  14  Al  1.996713952907  3.993329840549  6.111719834893  -0.045918887435  -0.002181495388  -0.269545062158  -0.001702875775  -0.003050471867  0.000720420449
  15  Al  2.119845388753  6.085030181138  3.931387937915  -0.406029297283  -0.190172623746  0.385719802971  0.002702053650  -0.000184073552  -0.004655312641
  16  Al  4.183546739267  0.141040165575  0.008388143609  -0.060895750688  -0.319621662225  0.189336504064  0.005766570269  0.005608491667  0.001324132458
  17  Al  3.909321053156  1.907808181108  2.004773183489  0.400550495347  0.228689598420  0.078898713856  -0.004697294055  -0.004454864708  -0.000830605375
  18  Al  6.163674119062  7.979390757378  1.890475412575  -0.288728146389  0.364090845855  0.353835501342  0.002608612169  -0.004781008794  -0.004981641325
  19  Al  6.106325482119  2.145861497369  7.931413204821  -0.169127581664  -0.554518938292  0.601041991047  0.000456049994  0.003619373942  -0.006299387637
  20  Al  4.083070476911  0.133769882295  4.061193402923  -0.208387530116  -0.416936980248  0.036114679249  0.000743866829  0.004408522993  0.000385017892
  21  Al  4.083991429372  1.989706110317  6.115060086438  -0.011622819879  0.212357901116  0.066526566917  0.001626607594  -0.000861145973  0.002367175524
  22  Al  6.077537716588  0.028508266864  6.098009241914  -0.078154855902  0.119501917760  0.096019830865  0.000056430851  0.002261427102  0.001473722755
  23  Al  6.174058166572  2.046469062295  4.028036343812  -0.222376662459  -0.002481737464  0.151258709377  0.003480490998  0.000914234035  0.000113028484
  24  Al  4.084838197837  4.029204581437  0.136076976375  0.076597582566  -0.015614531605  -0.604617565944  0.002026016126  -0.001235429461  0.004179627298
  25  Al  4.005614034113  6.205440880811  2.144878744265  0.312986534093  -0.172497877827  -0.399098810057  -0.001174551849  0.005104670195  0.004141733402
  26  Al  6.004292641615  4.156181446364  1.937875972191  0.260134104008  -0.254079786722  0.350259876254  -0.002637628538  0.004412265586  -0.002893124785
  27  Al  6.020656541689  6.128251302140  0.113405651922  -0.014686774113  -0.240216165947  -0.664790232430  -0.002355914279  0.001563528602  0.003418127293
  28  Al  4.076636955638  4.108571451255  4.139576833135  -0.082635215958  -0.011369011201  -0.219082776629  0.000915101045  0.002590735958  0.002903604283
  29  Al  3.951117405433  6.111012256835  6.245533339858  0.406967168058  -0.075181667548  -0.220215133569  -0.002699322783  0.001303790283  0.006583347617
  30  Al  6.106976335753  3.931747344102  6.099885216748  -0.112578133391  0.561964458910  -0.256336271318  0.001182178405  -0.003987697421  0.000650174428
  31  Al  6.182324740644  6.029359337321  4.026867090004  -0.291078346563  0.188748217204  -0.063833888654  0.003865398728  -0.001421125395  -0.001687021320


MDSTEP:  55
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -70.811990620210  -0.134971836250  0.728927513917
  -0.134971836250  -72.328114884189  -1.874089980488
  0.728927513917  -1.874089980488  -63.353164995425
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.984825485190  8.063359281511  8.029326644888  0.370421156944  0.026644047594  -0.081012083004  -0.003827026090  -0.001502877038  -0.003743098374
  1  Al  8.052441063866  1.945280593086  1.906790861663  0.235297667333  0.224708840546  0.071672394331  -0.001116744625  -0.002773865146  -0.005127595848
  2  Al  1.955606469355  7.983877505912  1.970578607136  0.016782726038  0.503617699818  0.248959395800  -0.002811215480  -0.004119396114  -0.001528597562
  3  Al  1.946494318115  1.985223225418  8.062236065657  -0.027728117434  -0.049727814751  -0.040233566817  -0.003489859571  -0.001950645273  -0.002481293267
  4  Al  0.032262385393  8.009314675341  4.216243100173  0.165348833010  0.223119995438  -0.647878183963  0.002217062114  -0.003554635235  0.005310140424
  5  Al  0.015929717049  2.018867394712  6.138134886549  -0.004101294955  -0.090467615041  -0.275356848668  0.000667271957  -0.000619533088  0.001979003881
  6  Al  1.986442334847  8.097102702995  6.052897020260  0.086501954260  0.097019534329  0.174733465836  -0.001802337589  0.000812148611  -0.000455769074
  7  Al  2.013231319359  2.043623143288  4.126081910338  -0.055764491888  -0.137244329861  -0.165753279190  -0.000737549935  0.000280594836  0.003267560259
  8  Al  8.048105529878  4.151636818734  7.949879380641  0.013806418638  -0.278635509772  0.391652438495  -0.002316799374  0.003492721653  -0.005466893678
  9  Al  0.036279183973  6.058941345754  2.020903793219  -0.131941242731  -0.013018997738  0.057432974336  0.001339740833  -0.000767310037  0.000279424414
  10  Al  2.089266165702  3.945294558013  2.020902718584  -0.298027692917  0.369992211029  0.326736798351  0.001992671308  -0.002659034842  0.001030595726
  11  Al  2.044001417831  6.115044324632  0.142637199748  -0.119896323211  -0.098526313952  -0.249155520776  0.000210560121  0.001639097720  0.006311083369
  12  Al  8.051008377636  4.092439968754  3.961192188536  0.374235067281  -0.222960365734  0.231335141574  -0.000744728987  0.001479093472  -0.002875485371
  13  Al  0.008447902638  6.033368421056  5.974140022732  -0.087509611030  0.020485009920  0.341166343014  0.000110097143  -0.001746945709  -0.003508177142
  14  Al  1.995860462461  3.991804507104  6.112067996550  -0.042882237696  0.009117569325  -0.275332168483  -0.001752105622  -0.003123460996  0.000687920737
  15  Al  2.121178266215  6.084929643715  3.929077523131  -0.413693709554  -0.193545698875  0.406910317070  0.002692217285  -0.000223648313  -0.004695099387
  16  Al  4.186427302383  0.143830124435  0.009058673112  -0.065015052099  -0.334967139493  0.186250757163  0.005894220391  0.005683922356  0.001390478474
  17  Al  3.906990310592  1.905590971096  2.004361407546  0.402466084096  0.233005596262  0.085573075815  -0.004737143084  -0.004520112971  -0.000835593780
  18  Al  6.164965519102  7.977016527711  1.888000408232  -0.284336206250  0.385724381832  0.366958064054  0.002619103879  -0.004827749261  -0.005035881261
  19  Al  6.106545947174  2.147646397543  7.928290377363  -0.163086225098  -0.569140098410  0.630805142752  0.000436640429  0.003603849953  -0.006338641316
  20  Al  4.083433095478  0.135955506858  4.061387526182  -0.212394763989  -0.422083970110  0.041904111982  0.000723294759  0.004438105983  0.000401453594
  21  Al  4.084804213633  1.989285029652  6.116246647913  -0.017175339256  0.215130558054  0.058974736977  0.001663229649  -0.000842790479  0.002435798628
  22  Al  6.077562438519  0.029644322108  6.098750395343  -0.082199363409  0.109219280482  0.093281987346  0.000043111283  0.002336948431  0.001526623454
  23  Al  6.175788471915  2.046926068380  4.028099619264  -0.220941392245  -0.003422443751  0.142134302053  0.003523904976  0.000935758815  0.000142618638
  24  Al  4.085854629784  4.028586168743  0.138139763837  0.070670183636  -0.010228729782  -0.618716260895  0.002088398102  -0.001267613101  0.004168499294
  25  Al  4.005040748574  6.207985505316  2.146931771393  0.323040887659  -0.172518046916  -0.409675538715  -0.001144667318  0.005196284535  0.004167646622
  26  Al  6.002985455247  4.158376221881  1.936445066289  0.274380790838  -0.269984832078  0.362577669450  -0.002652350038  0.004470775350  -0.002897686094
  27  Al  6.019477928056  6.129022328865  0.115084999684  -0.015176598347  -0.244442271920  -0.690831838524  -0.002415509270  0.001556891041  0.003376508318
  28  Al  4.077090812396  4.109866311044  4.141018842355  -0.085884642684  -0.012830295008  -0.217598170541  0.000921758153  0.002651048636  0.002933702578
  29  Al  3.949785935328  6.111660791383  6.248815170129  0.406738970077  -0.074456141068  -0.220502749795  -0.002689971393  0.001321557321  0.006701888157
  30  Al  6.107562392753  3.929778615001  6.100198845823  -0.115649860032  0.585922793119  -0.270872710710  0.001189814820  -0.003978844782  0.000617596956
  31  Al  6.184244428911  6.028657211601  4.026020725992  -0.296286574985  0.194493096513  -0.056140196319  0.003904914092  -0.001420336328  -0.001738722615


MDSTEP:  56
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -70.285330914180  -0.123127194977  0.790140608077
  -0.123127194977  -71.864115845245  -1.878105317484
  0.790140608077  -1.878105317484  -62.725734502727
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.982928529838  8.062609033971  8.027451474490  0.375498495101  0.026273661871  -0.076560793491  -0.003760341410  -0.001498146233  -0.003757185276
  1  Al  8.051893209275  1.943903704917  1.904230267470  0.233409349958  0.230424627467  0.073937612892  -0.001074842555  -0.002733176542  -0.005114578418
  2  Al  1.954201611797  7.981840319385  1.969825436750  0.015642024642  0.527312718696  0.252617590897  -0.002808316731  -0.004027231676  -0.001483756940
  3  Al  1.944748148892  1.984245679967  8.060993620598  -0.026026607112  -0.049589446122  -0.028611886535  -0.003494665205  -0.001959524165  -0.002487448001
  4  Al  0.033378307483  8.007547331107  4.218869210463  0.161348523466  0.233593414719  -0.662505021129  0.002246268622  -0.003513805385  0.005192993108
  5  Al  0.016263169701  2.018553584299  6.139112080137  -0.007409674766  -0.090181544090  -0.282355801669  0.000666242884  -0.000635682993  0.001929144771
  6  Al  1.985545032659  8.097513114038  6.052676946246  0.098903381753  0.087084324875  0.181333244417  -0.001785762485  0.000828607363  -0.000423936967
  7  Al  2.012860051739  2.043757305934  4.127708281355  -0.052938644408  -0.137992713149  -0.177054532459  -0.000747267918  0.000255988843  0.003236913487
  8  Al  8.046947747333  4.153370724654  7.947163440525  0.013515280881  -0.283533485095  0.401532154217  -0.002314356833  0.003442464149  -0.005395983546
  9  Al  0.036943156663  6.058557108791  2.021046072659  -0.140376572775  -0.013870811160  0.052095487127  0.001315395816  -0.000769713966  0.000289216179
  10  Al  2.090249179625  3.943981579111  2.021432621464  -0.303313145954  0.363032786976  0.329154101783  0.001938911870  -0.002593502935  0.001089231900
  11  Al  2.044101338569  6.115859469402  0.145781604270  -0.115322342763  -0.106098315220  -0.271938039704  0.000189531742  0.001620804426  0.006264497979
  12  Al  8.050652741316  4.093169549242  3.959764786448  0.375396918378  -0.234152603190  0.231564140665  -0.000677712427  0.001438227902  -0.002834102508
  13  Al  0.008499039561  6.032495863874  5.972401184174  -0.091008746981  0.019271490869  0.353530766339  0.000094137730  -0.001743391506  -0.003446071721
  14  Al  1.994982492830  3.990243184158  6.112399649670  -0.035474521224  0.020535889523  -0.278743852410  -0.001759110660  -0.003120809998  0.000638386740
  15  Al  2.122505882897  6.084809168135  3.926748162182  -0.416996852468  -0.198543797984  0.429396450895  0.002617954146  -0.000258700832  -0.004620334164
  16  Al  4.189371506429  0.146657112703  0.009762237690  -0.066520443089  -0.349747453386  0.181645657642  0.005882461212  0.005622709364  0.001423368148
  17  Al  3.904639729139  1.903341329877  2.003947435741  0.408076177435  0.239449242799  0.090343700612  -0.004664681189  -0.004477875849  -0.000819866947
  18  Al  6.166262361315  7.974619894822  1.885498870495  -0.284070851501  0.408072889158  0.377886946665  0.002568288697  -0.004756784356  -0.004969292653
  19  Al  6.106756977493  2.149422882162  7.925149253468  -0.160868504189  -0.581943502924  0.660347147266  0.000407679109  0.003500943908  -0.006223213231
  20  Al  4.083785248888  0.138155692848  4.061590126077  -0.213312613472  -0.426166469599  0.049080973611  0.000685236826  0.004362273004  0.000409587595
  21  Al  4.085635060726  1.988873250671  6.117467183377  -0.019255997674  0.219817571326  0.052949089710  0.001659972713  -0.000803906429  0.002445804537
  22  Al  6.077580319879  0.030817678386  6.099517876741  -0.090730329899  0.099837132400  0.092400956896  0.000027651493  0.002355637924  0.001543223376
  23  Al  6.177540548402  2.047393794806  4.028177281935  -0.224244397633  -0.001845339311  0.134275404085  0.003484105687  0.000935287879  0.000167329466
  24  Al  4.086901987767  4.027951904972  0.140196357090  0.067731669007  -0.005553235500  -0.634407149308  0.002100771128  -0.001269023997  0.004056470963
  25  Al  4.004482854726  6.210575936089  2.148997282354  0.337086237903  -0.174027547250  -0.421979636612  -0.001085652428  0.005165303608  0.004093297248
  26  Al  6.001671544950  4.160599541332  1.935012430334  0.285218184956  -0.287106819164  0.373283130145  -0.002602322293  0.004420971757  -0.002831900668
  27  Al  6.018269495033  6.129789847904  0.116742373909  -0.019624069956  -0.250804185139  -0.718465112899  -0.002418620425  0.001512616365  0.003250518185
  28  Al  4.077547852460  4.111191261852  4.142475967084  -0.085299591428  -0.015142730179  -0.214610296624  0.000906454406  0.002648547867  0.002895063452
  29  Al  3.948459130717  6.112318241881  6.252156257815  0.409885220547  -0.075748233028  -0.218777830483  -0.002616965778  0.001308129158  0.006662616790
  30  Al  6.108152130656  3.927815383147  6.100495536388  -0.122893321446  0.609700361560  -0.284024716544  0.001168489231  -0.003871956933  0.000567989525
  31  Al  6.186183642054  6.027955737209  4.025148855238  -0.306024235291  0.197642119252  -0.047339885999  0.003851067939  -0.001385279722  -0.001747973660


MDSTEP:  57
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -69.761228318651  -0.111294422787  0.851696253257
  -0.111294422787  -71.394167141306  -1.877809240175
  0.851696253257  -1.877809240175  -62.095145702824
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.981065143780  8.061861135278  8.025569459612  0.384963161242  0.024857162990  -0.071452384277  -0.003786206964  -0.001531538041  -0.003866251934
  1  Al  8.051366221312  1.942547416544  1.901676283246  0.235525161375  0.234368842209  0.079608606956  -0.001059174340  -0.002760038559  -0.005230502117
  2  Al  1.952798152624  7.979850274236  1.969094850196  0.010148600168  0.549866596587  0.259138146526  -0.002877332704  -0.004030846891  -0.001474556795
  3  Al  1.942999652909  1.983263701254  8.059748617656  -0.028637415902  -0.050850303744  -0.016304795620  -0.003588501809  -0.002018537736  -0.002554790161
  4  Al  0.034508654016  8.005800869957  4.221436093282  0.160523238219  0.243294588379  -0.678042806992  0.002332869529  -0.003559400268  0.005202095594
  5  Al  0.016595959933  2.018231711719  6.140064031320  -0.006601372918  -0.091245336579  -0.292614236856  0.000681892662  -0.000668472121  0.001925470293
  6  Al  1.984656572362  8.097931310358  6.052473083293  0.106739431797  0.076303759899  0.184939887871  -0.001812300406  0.000864646491  -0.000401135525
  7  Al  2.012484051442  2.043879132130  4.129318823825  -0.054964812676  -0.140004987876  -0.188925177912  -0.000776153241  0.000237010936  0.003285637625
  8  Al  8.045791173045  4.155079282883  7.944483397095  0.017879049326  -0.287229687335  0.411825498072  -0.002370303907  0.003477640035  -0.005458573888
  9  Al  0.037594579789  6.058171631788  2.021193009398  -0.144704976036  -0.013234279037  0.049728720320  0.001322695943  -0.000791762897  0.000305901702
  10  Al  2.091205077571  3.942701055078  2.021991950484  -0.313300281101  0.357201761208  0.334141010789  0.001931668130  -0.002593398117  0.001177722706
  11  Al  2.044190949572  6.116665129058  0.148901697727  -0.115293263785  -0.112473698173  -0.293143754946  0.000173208257  0.001641964294  0.006371923581
  12  Al  8.050330665210  4.093878196656  3.958358086027  0.380776831117  -0.244456473279  0.231214133761  -0.000625618502  0.001430909132  -0.002863714541
  13  Al  0.008542040368  6.031625029550  5.970693951011  -0.090412275203  0.019893174876  0.362598944598  0.000079899319  -0.001784113780  -0.003468013322
  14  Al  1.994101351802  3.988683697106  6.112706383290  -0.032852987256  0.032479918937  -0.285177523345  -0.001810086452  -0.003195272977  0.000602917336
  15  Al  2.123796220361  6.084670942882  3.924457188967  -0.425210335558  -0.202116685901  0.451018945853  0.002607289391  -0.000302005527  -0.004657062189
  16  Al  4.192309763595  0.149452833800  0.010482041260  -0.071752216490  -0.365659167324  0.177818781467  0.006019302683  0.005700041823  0.001492499206
  17  Al  3.902325629403  1.901113095248  2.003541540599  0.408935679682  0.244214072465  0.098140885854  -0.004708348705  -0.004547353838  -0.000823427192
  18  Al  6.167533807799  7.972259743355  1.883031115579  -0.278714514542  0.429785047600  0.392438389423  0.002581976613  -0.004800881906  -0.005024982442
  19  Al  6.106953626283  2.151147341450  7.922067164133  -0.153896814864  -0.596017321704  0.690089591510  0.000389186237  0.003481943431  -0.006257594749
  20  Al  4.084118332304  0.140317779862  4.061797113777  -0.217814104314  -0.431286474426  0.055367995978  0.000663131728  0.004394546778  0.000429573268
  21  Al  4.086464186347  1.988481123222  6.118692452451  -0.025685328855  0.222791288043  0.043948432002  0.001698045139  -0.000783765024  0.002516853393
  22  Al  6.077590090012  0.031999960032  6.100293618719  -0.094439235948  0.089254016068  0.088046934834  0.000011379536  0.002432846510  0.001598990117
  23  Al  6.179272577602  2.047861356259  4.028266948730  -0.222150230994  -0.002178475931  0.125428791188  0.003531741056  0.000958691640  0.000195390049
  24  Al  4.087955400913  4.027317144745  0.142196234800  0.060436237790  0.000195671508  -0.648554816886  0.002165916721  -0.001301770484  0.004041964944
  25  Al  4.003955096146  6.213150808924  2.151025068641  0.346382352664  -0.174088749063  -0.431430196056  -0.001050592294  0.005264680065  0.004119104983
  26  Al  6.000383132954  4.162797193639  1.933613165621  0.300266095984  -0.302971927009  0.387061527944  -0.002614794411  0.004479248119  -0.002834178355
  27  Al  6.017059307631  6.130534945229  0.118335517869  -0.019721361623  -0.255600362653  -0.744824923676  -0.002483702438  0.001504640304  0.003198995945
  28  Al  4.077997266802  4.112514858911  4.143913905807  -0.088934927848  -0.016397602343  -0.212712979045  0.000913521808  0.002712975839  0.002929475172
  29  Al  3.947168969550  6.112968920541  6.255477786919  0.408321762437  -0.075363794476  -0.219861924417  -0.002608476037  0.001327525783  0.006791752697
  30  Al  6.108730881984  3.925906658068  6.100766835348  -0.125306928483  0.633868008324  -0.300172793244  0.001175436335  -0.003856372312  0.000528872059
  31  Al  6.188095496850  6.027271931879  4.024272752332  -0.310504217405  0.202801417759  -0.039336911675  0.003892434114  -0.001383780703  -0.001800348486


MDSTEP:  58
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -69.219405513343  -0.098034570091  0.919074425924
  -0.098034570091  -70.906468101280  -1.873193739861
  0.919074425924  -1.873193739861  -61.454294965613
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.979189248013  8.061096477364  8.023633139749  0.391697436993  0.024140467204  -0.065217354204  -0.003716774066  -0.001527157688  -0.003878470110
  1  Al  8.050847162032  1.941177873468  1.899064590663  0.234680716106  0.239525319632  0.082098722265  -0.001017138273  -0.002717672761  -0.005216045598
  2  Al  1.951359939911  7.977859429629  1.968369155180  0.007577141026  0.573546026912  0.262632569229  -0.002875748036  -0.003930414611  -0.001427910869
  3  Al  1.941204121923  1.982252159395  8.058470493757  -0.027944822794  -0.050978685461  -0.002936204090  -0.003593560221  -0.002027641175  -0.002556510293
  4  Al  0.035682264111  8.004032045003  4.224006832809  0.156915072481  0.253670206122  -0.694008841601  0.002361248285  -0.003514971973  0.005079435164
  5  Al  0.016936611186  2.017893397025  6.141013686715  -0.008805799184  -0.091130797855  -0.299618102568  0.000680515272  -0.000684776416  0.001872525148
  6  Al  1.983755193373  8.098367044354  6.052280782277  0.118054486480  0.065842465457  0.191902386785  -0.001792203992  0.000877354261  -0.000367446096
  7  Al  2.012093517914  2.043991379426  4.130953197750  -0.053385876240  -0.140914921803  -0.201572478503  -0.000785839714  0.000211896899  0.003250727415
  8  Al  8.044606820278  4.156805263837  7.941772518603  0.019458322976  -0.291811435276  0.423044354822  -0.002366965973  0.003425874176  -0.005383937124
  9  Al  0.038249459500  6.057775158772  2.021348183105  -0.152009524573  -0.013670507080  0.044065780623  0.001296169880  -0.000794168165  0.000314286863
  10  Al  2.092156907227  3.941420322810  2.022595747820  -0.319726006125  0.350223365088  0.335817416594  0.001875076036  -0.002530154820  0.001237616507
  11  Al  2.044272400133  6.117481083671  0.152074556097  -0.111948708100  -0.120182472295  -0.314910435602  0.000152892988  0.001621165000  0.006317563974
  12  Al  8.050034876546  4.094582724105  3.956936563945  0.382948414681  -0.255463196924  0.229988333099  -0.000557342015  0.001386216673  -0.002822483373
  13  Al  0.008577948631  6.030733861878  5.968976152393  -0.092502907644  0.019184498433  0.374903777103  0.000063546833  -0.001780620264  -0.003402081109
  14  Al  1.993194840059  3.987087512458  6.112995094625  -0.026787923154  0.044188495691  -0.288312499872  -0.001815418306  -0.003188418876  0.000551647741
  15  Al  2.125080858308  6.084510905576  3.922148818257  -0.430053339814  -0.206875324068  0.472152779721  0.002530829434  -0.000338569118  -0.004574531301
  16  Al  4.195316207639  0.152286509878  0.011236239299  -0.074961241551  -0.380941262669  0.174255881578  0.006006186606  0.005633296282  0.001523974428
  17  Al  3.899989734328  1.898850334610  2.003134213865  0.412658557264  0.250472291875  0.102962281818  -0.004634898772  -0.004503129233  -0.000805448713
  18  Al  6.168812337667  7.969878513639  1.880536166212  -0.276374356982  0.452361890620  0.404202521050  0.002532352068  -0.004722018605  -0.004953763318
  19  Al  6.107141340269  2.152861671406  7.918969213515  -0.149767567483  -0.609094009692  0.721363242791  0.000362038859  0.003374207345  -0.006131411882
  20  Al  4.084440161956  0.142495774901  4.062014375340  -0.219602634784  -0.435414715637  0.061269338979  0.000624026987  0.004317064316  0.000440000562
  21  Al  4.087312060791  1.988099199401  6.119952843626  -0.029649698808  0.227058473606  0.037698351489  0.001693098227  -0.000743548779  0.002524152557
  22  Al  6.077591558381  0.033220372909  6.101097049444  -0.101481041882  0.079233609929  0.086518976675  -0.000006135595  0.002447909183  0.001614596184
  23  Al  6.181028518094  2.048340604702  4.028370250376  -0.223599987127  -0.001223084860  0.115887810328  0.003491891307  0.000958387543  0.000216963579
  24  Al  4.089041060752  4.026666268250  0.144188227105  0.055326153744  0.005089918986  -0.662408888535  0.002176265796  -0.001301297956  0.003924765733
  25  Al  4.003445283165  6.215775367252  2.153065336358  0.359064391385  -0.175121381131  -0.444056808887  -0.000987525863  0.005233460931  0.004040837075
  26  Al  5.999089157535  4.165023274962  1.932213377955  0.312524978127  -0.319754504863  0.398067304085  -0.002560011330  0.004423576824  -0.002763988402
  27  Al  6.015816574875  6.131275840137  0.119901722435  -0.022716863912  -0.261654094316  -0.771174180445  -0.002487496385  0.001458398128  0.003063466716
  28  Al  4.078450052347  4.113870613864  4.145369135200  -0.089738063738  -0.018593978405  -0.211096158811  0.000897548571  0.002709847617  0.002891586941
  29  Al  3.945882983367  6.113629314698  6.258863835518  0.409566481073  -0.076115624712  -0.217878629492  -0.002535357417  0.001313983632  0.006752619006
  30  Al  6.109312998977  3.924006805584  6.101017853762  -0.130903353372  0.657815238940  -0.313750991375  0.001152531320  -0.003740896759  0.000473987714
  31  Al  6.190027834480  6.026589106678  4.023370819743  -0.318512435067  0.206587728553  -0.031890255050  0.003836200478  -0.001347181608  -0.001806716144


MDSTEP:  59
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -68.680351078768  -0.084854309620  0.988442515312
  -0.084854309620  -70.413259730707  -1.864136314895
  0.988442515312  -1.864136314895  -60.811749879236
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.977348369714  8.060333977590  8.021690989501  0.400561803050  0.022752672728  -0.059516384362  -0.003743100681  -0.001563548137  -0.003993268466
  1  Al  8.050349083039  1.939829743783  1.896460237647  0.235721823033  0.243809039525  0.087496253713  -0.001001067832  -0.002745729786  -0.005339472569
  2  Al  1.949922404589  7.975919859625  1.967666939327  0.002264730086  0.596379009118  0.268433687933  -0.002951475171  -0.003927771395  -0.001417218532
  3  Al  1.939406092689  1.981236060079  8.057192107364  -0.029671239896  -0.051645163611  0.009764227705  -0.003694606383  -0.002091090968  -0.002624007273
  4  Al  0.036869902301  8.002285897984  4.226515528446  0.154616879069  0.263693636221  -0.709606918991  0.002452761654  -0.003561151457  0.005085961561
  5  Al  0.017276475206  2.017546935304  6.141936556468  -0.008948823026  -0.091562842439  -0.309396064257  0.000697019506  -0.000719791642  0.001866526329
  6  Al  1.982864368370  8.098808664619  6.052105637197  0.126526544068  0.054993451086  0.196546186758  -0.001817513070  0.000911823739  -0.000341585082
  7  Al  2.011698211727  2.044091029029  4.132569551240  -0.055136072321  -0.142224467065  -0.213512237256  -0.000816740397  0.000191556381  0.003299252873
  8  Al  8.043424207072  4.158505157059  7.939099459971  0.023612553043  -0.295576991339  0.433475829103  -0.002426085717  0.003463252497  -0.005448790886
  9  Al  0.038890749669  6.057377463623  2.021507296261  -0.157228970802  -0.013356835384  0.040848866979  0.001302326712  -0.000817811079  0.000330455301
  10  Al  2.093080153607  3.940170900258  2.023229566991  -0.328964638358  0.343984913864  0.339503167648  0.001865503624  -0.002533860701  0.001332577384
  11  Al  2.044343842561  6.118286294058  0.155219261701  -0.111211072372  -0.127584831228  -0.336596686842  0.000136485205  0.001641623938  0.006426112623
  12  Al  8.049773323195  4.095264413329  3.955535602655  0.387509080180  -0.266137260007  0.229378254382  -0.000501479825  0.001375282091  -0.002855533098
  13  Al  0.008605587201  6.029844409286  5.967291869902  -0.092432682886  0.019415268161  0.384692500975  0.000048266505  -0.001824525942  -0.003423019916
  14  Al  1.992285933495  3.985495278230  6.113258031030  -0.023793832040  0.056186791580  -0.293733706351  -0.001868436467  -0.003264168497  0.000512926488
  15  Al  2.126327049795  6.084332373764  3.919882657666  -0.437945273047  -0.211058229052  0.493617044215  0.002518602552  -0.000385949589  -0.004607789622
  16  Al  4.198315950201  0.155086130082  0.012006015688  -0.080078471819  -0.396887832734  0.170067602273  0.006152004471  0.005712017138  0.001596186506
  17  Al  3.897690730631  1.896609966015  2.002736091886  0.413885622706  0.256017406839  0.110018683442  -0.004682544053  -0.004576638319  -0.000807363895
  18  Al  6.170066159867  7.967537724750  1.878077352260  -0.270709847696  0.474479828965  0.418638121913  0.002549619770  -0.004762779920  -0.005010245341
  19  Al  6.107315665142  2.154521548795  7.915935752251  -0.142787482484  -0.622734757376  0.751545279794  0.000344835011  0.003351061182  -0.006159610646
  20  Al  4.084742359291  0.144634844178  4.062237114338  -0.222922808326  -0.440140844667  0.067685764216  0.000600039861  0.004351741881  0.000463561009
  21  Al  4.088157284574  1.987737574443  6.121216605007  -0.035805188891  0.230330791458  0.029191966894  0.001732206890  -0.000721382342  0.002597553277
  22  Al  6.077583954417  0.034447869215  6.101908214903  -0.105548050461  0.068586361947  0.082164427022  -0.000025300535  0.002526706082  0.001673102560
  23  Al  6.182764468909  2.048819743802  4.028483912309  -0.221443430823  -0.001430636469  0.106736468131  0.003544093436  0.000983682259  0.000243177830
  24  Al  4.090131666709  4.026015846790  0.146121000532  0.047814516137  0.010703429225  -0.676090811669  0.002243723444  -0.001334524276  0.003906499952
  25  Al  4.002967570283  6.218384269855  2.155065905716  0.369146224891  -0.175479161469  -0.454439736183  -0.000947004321  0.005340739005  0.004066048419
  26  Al  5.997823121625  4.167220770463  1.930849177219  0.327360770461  -0.335855404035  0.411225660192  -0.002569498605  0.004481279588  -0.002763362631
  27  Al  6.014571811246  6.131993343357  0.121398984585  -0.023072499169  -0.266913656163  -0.797431060137  -0.002557983646  0.001448747506  0.003001130352
  28  Al  4.078894815374  4.115224706528  4.146805492748  -0.092861861699  -0.020154499834  -0.209172934426  0.000904706369  0.002778500890  0.002930066505
  29  Al  3.944633612133  6.114282904173  6.262230405925  0.408250162323  -0.076026267018  -0.218091959300  -0.002527856970  0.001335033713  0.006892542893
  30  Al  6.109883413304  3.922165761308  6.101240823062  -0.133511735774  0.681686122793  -0.329481545659  0.001158974556  -0.003717639464  0.000427581271
  31  Al  6.191931697328  6.025924750271  4.022466036188  -0.323196727158  0.211750956381  -0.023959947853  0.003879527179  -0.001344684376  -0.001859985963


MDSTEP:  60
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -68.125724569270  -0.069490483852  1.063752868768
  -0.069490483852  -69.901995904751  -1.850062075057
  1.063752868768  -1.850062075057  -60.158870232260
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.975494724342  8.059553220558  8.019691694908  0.405632421464  0.022035371927  -0.054314990167  -0.003671027497  -0.001559544118  -0.004003444909
  1  Al  8.049859085804  1.938467777066  1.893794412414  0.232848976663  0.249212987558  0.089721932568  -0.000959177940  -0.002701653971  -0.005323629390
  2  Al  1.948446768236  7.973982631855  1.966970328950  0.001333518504  0.620021343586  0.272045157685  -0.002951153490  -0.003819026079  -0.001368900112
  3  Al  1.937557463204  1.980188206075  8.055880540185  -0.027131946797  -0.051489418934  0.022068764785  -0.003699684547  -0.002100311126  -0.002621161426
  4  Al  0.038103194447  8.000517109266  4.229026790053  0.148941167999  0.273982160158  -0.723768004576  0.002479899525  -0.003513083628  0.004957818875
  5  Al  0.017624584950  2.017182946656  6.142855989739  -0.013326792258  -0.091275833299  -0.316621629860  0.000695028082  -0.000736137288  0.001810560798
  6  Al  1.981961267526  8.099267034676  6.051943630199  0.139678474240  0.044294123307  0.203499935425  -0.001793714533  0.000920699977  -0.000305821247
  7  Al  2.011287376966  2.044180449837  4.134209633757  -0.051703405158  -0.143257535014  -0.224537593999  -0.000826291770  0.000166034496  0.003260091533
  8  Al  8.042212219686  4.160223571122  7.936394440742  0.023887689660  -0.300296153276  0.443303207701  -0.002421839229  0.003409981866  -0.005370407471
  9  Al  0.039534884946  6.056967961038  2.021674349842  -0.166228043496  -0.013854002820  0.035198857301  0.001273409888  -0.000820243709  0.000337253913
  10  Al  2.093998200818  3.938919345910  2.023911031352  -0.333548529126  0.336720465001  0.340530726217  0.001806275424  -0.002473006130  0.001393371924
  11  Al  2.044407114068  6.119101403031  0.158417272261  -0.106077671771  -0.135816678627  -0.360213319776  0.000117059748  0.001618076033  0.006363818309
  12  Al  8.049539904798  4.095940158134  3.954118089231  0.387288019762  -0.276987080974  0.229600824348  -0.000432213522  0.001326727166  -0.002814500698
  13  Al  0.008625588746  6.028933014171  5.965597555561  -0.095901081589  0.018718839102  0.396872827946  0.000031429602  -0.001821116780  -0.003353148538
  14  Al  1.991350651686  3.983865705511  6.113501364484  -0.016152869161  0.068144180101  -0.296521256572  -0.001872007673  -0.003253053398  0.000460158119
  15  Al  2.127566775075  6.084129964743  3.917600827359  -0.441329325692  -0.215663251796  0.516165140033  0.002439996035  -0.000424098182  -0.004517515821
  16  Al  4.201388372958  0.157924397907  0.012811710901  -0.082215394872  -0.412374178100  0.164668436244  0.006137495517  0.005639669696  0.001626111667
  17  Al  3.895367959143  1.894333090741  2.002337327733  0.419141469107  0.262380954858  0.115015865739  -0.004608072030  -0.004530293879  -0.000787245969
  18  Al  6.171328869119  7.965177543868  1.875590942563  -0.269642452564  0.497331718458  0.430695476675  0.002501312663  -0.004675900667  -0.004934315529
  19  Al  6.107481700099  2.156169243367  7.912889540732  -0.139740123974  -0.635617442161  0.781585203284  0.000319577246  0.003238565401  -0.006022549884
  20  Al  4.085032414652  0.146791040981  4.062471920372  -0.222901993797  -0.443780857216  0.075166736465  0.000560183444  0.004272719917  0.000476331920
  21  Al  4.089021787540  1.987387178976  6.122516686516  -0.038386697806  0.234419871994  0.022510881858  0.001725574189  -0.000679833967  0.002602175474
  22  Al  6.077566586189  0.035714288041  6.102748438903  -0.114113217932  0.058696888892  0.079954534200  -0.000044938094  0.002538085113  0.001687595878
  23  Al  6.184526617185  2.049311520983  4.028610272306  -0.224451833475  -0.000423051299  0.098718205700  0.003504230720  0.000983516541  0.000261545330
  24  Al  4.091255665722  4.025349063091  0.148044029493  0.043585383223  0.015458367772  -0.691171599556  0.002251894529  -0.001332185430  0.003784267677
  25  Al  4.002510568826  6.221046795502  2.157078616633  0.383541600348  -0.176141117719  -0.466864555746  -0.000879714571  0.005309304405  0.003983684478
  26  Al  5.996553005230  4.169446397641  1.929485877542  0.338465682896  -0.352670954807  0.422551988757  -0.002509974200  0.004419725827  -0.002688823510
  27  Al  6.013291788091  6.132705786166  0.122863904880  -0.027553523406  -0.273050525499  -0.825156618048  -0.002562509576  0.001400475097  0.002856072181
  28  Al  4.079343017666  4.116613056074  4.148261176045  -0.091799355404  -0.022642251672  -0.206036956050  0.000888197789  0.002774674891  0.002892947039
  29  Al  3.943387932283  6.114947022683  6.265666928740  0.410657677294  -0.076677958432  -0.216012987459  -0.002454647198  0.001321382065  0.006853734223
  30  Al  6.110456932656  3.920337412701  6.101439885991  -0.140417635666  0.705266611406  -0.343505807475  0.001134485468  -0.003593646888  0.000367416686
  31  Al  6.193857014140  6.025261873275  4.021534972206  -0.332380187221  0.215334407526  -0.015149383648  0.003820919074  -0.001306503252  -0.001863482309


MDSTEP:  61
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -67.576221487239  -0.054909191491  1.139532959731
  -0.054909191491  -69.386439246966  -1.830986921641
  1.139532959731  -1.830986921641  -59.504055920951
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.973677342217  8.058774433472  8.017687544593  0.416182265758  0.020373993448  -0.048291808754  -0.003697573982  -0.001599004415  -0.004124173141
  1  Al  8.049389905099  1.937128089811  1.891136608257  0.234897534683  0.253359274688  0.095537973875  -0.000942865419  -0.002730584277  -0.005454609685
  2  Al  1.946971251099  7.972100833546  1.966298039215  -0.004550958936  0.642516202336  0.278348470884  -0.003033494486  -0.003809191410  -0.001356384322
  3  Al  1.935706408142  1.979135748953  8.054570945937  -0.029268596181  -0.052240212584  0.035073274937  -0.003807722254  -0.002168233285  -0.002688782163
  4  Al  0.039349801826  7.998772814356  4.231473347321  0.147265226938  0.283698524417  -0.739054717025  0.002576060331  -0.003559508965  0.004961240778
  5  Al  0.017971503288  2.016810798015  6.143747117266  -0.012591048513  -0.091839391646  -0.327017698481  0.000711969187  -0.000773428211  0.001801755816
  6  Al  1.981070653837  8.099729364596  6.051799815950  0.147664651145  0.033075613725  0.207724201553  -0.001817179369  0.000953405558  -0.000276538221
  7  Al  2.010871919958  2.044257063525  4.135829642773  -0.053867814847  -0.144838945719  -0.236351095198  -0.000858963982  0.000144178787  0.003308377109
  8  Al  8.041002367843  4.161915138925  7.933729052501  0.029783288144  -0.303878356984  0.453621914975  -0.002484237524  0.003449268789  -0.005437297118
  9  Al  0.040164159556  6.056557219914  2.021844550174  -0.170277953585  -0.013317182770  0.032379885231  0.001277892359  -0.000845544015  0.000352839400
  10  Al  2.094886429031  3.937697894128  2.024622938916  -0.343288681634  0.330448204345  0.344056453514  0.001794300927  -0.002480455883  0.001495012294
  11  Al  2.044460902308  6.119904370091  0.161583080010  -0.106012992309  -0.143395847349  -0.381988087582  0.000100826257  0.001637405000  0.006472542626
  12  Al  8.049341109672  4.096591140494  3.952721101956  0.392363640688  -0.287329231594  0.228954533041  -0.000372591497  0.001311759639  -0.002850612748
  13  Al  0.008637016803  6.028023292506  5.963938721365  -0.094427281450  0.019290232228  0.405991792315  0.000014815119  -0.001868253409  -0.003372598853
  14  Al  1.990413925822  3.982242224832  6.113718189150  -0.013885945171  0.080427583911  -0.302116680841  -0.001926811684  -0.003329840446  0.000417945374
  15  Al  2.128767045831  6.083908275582  3.915365141845  -0.450070690513  -0.219459194307  0.537467142513  0.002425924645  -0.000475869672  -0.004546295141
  16  Al  4.204453445717  0.160725799778  0.013632127354  -0.089045417775  -0.428672562655  0.160207540863  0.006292388501  0.005719179501  0.001701170512
  17  Al  3.893082658601  1.892079672136  2.001948845917  0.418631811158  0.267818209638  0.122795649750  -0.004659203049  -0.004607523927  -0.000787281051
  18  Al  6.172567472530  7.962861824083  1.873143036732  -0.262703559387  0.519448009650  0.446216630779  0.002521937505  -0.004712469447  -0.004990920222
  19  Al  6.107635242388  2.157760114197  7.909913202367  -0.131546983756  -0.649142684626  0.811764213013  0.000303534721  0.003210551363  -0.006043579095
  20  Al  4.085302542735  0.148907564095  4.062713446258  -0.227261363065  -0.448359988010  0.081664302728  0.000534394053  0.004309532226  0.000503984849
  21  Al  4.089882858762  1.987057740476  6.123818780482  -0.046162920987  0.237320398378  0.013035029569  0.001765778263  -0.000655388407  0.002677784983
  22  Al  6.077539016322  0.036985954328  6.103595810781  -0.117366334016  0.047873757082  0.074299145036  -0.000067456848  0.002618438923  0.001748686478
  23  Al  6.186268699629  2.049803260343  4.028745457639  -0.221348801812  -0.000827700435  0.089579885916  0.003560689998  0.001010744474  0.000286118292
  24  Al  4.092383561238  4.024683661359  0.149905268209  0.034033262618  0.021130192532  -0.704388584932  0.002321631676  -0.001365859745  0.003761243943
  25  Al  4.002087855712  6.223693574260  2.159049590194  0.392159682275  -0.176009733760  -0.476465326463  -0.000832896554  0.005424551728  0.004007757791
  26  Al  5.995313147425  4.171640496290  1.928160353709  0.354163724327  -0.368380754741  0.436722843341  -0.002516112254  0.004476345535  -0.002684621613
  27  Al  6.012009301670  6.133393818455  0.124255056767  -0.027118120879  -0.278198677745  -0.851162630499  -0.002638773690  0.001388758512  0.002781446120
  28  Al  4.079783013162  4.117999381419  4.149698439787  -0.095989626301  -0.024129946615  -0.204233661388  0.000895635749  0.002847516303  0.002935676613
  29  Al  3.942178964935  6.115604286238  6.269084140148  0.407445734666  -0.076261617449  -0.216704359069  -0.002447717961  0.001344065158  0.007004515594
  30  Al  6.111017898772  3.918572114420  6.101608239748  -0.141949773289  0.728974503196  -0.360246123327  0.001140080191  -0.003561769498  0.000312967259
  31  Al  6.195752616402  6.024618247019  4.020602553879  -0.335855957995  0.220527329414  -0.007420110275  0.003865744227  -0.001302776485  -0.001917362989


MDSTEP:  62
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -67.010496874122  -0.037933820914  1.222155434450
  -0.037933820914  -68.852213365574  -1.806186792236
  1.222155434450  -1.806186792236  -58.839826426380
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.971847158423  8.057975841975  8.015623299396  0.422707980638  0.019563834236  -0.041280613917  -0.003622577797  -0.001595434002  -0.004132180851
  1  Al  8.048928972224  1.935774122741  1.888413573927  0.232801578340  0.258455939946  0.098147605131  -0.000901053455  -0.002684828366  -0.005437294334
  2  Al  1.945454300429  7.970224958084  1.965632289131  -0.006805792094  0.666026418459  0.281848245305  -0.003034509771  -0.003692208641  -0.001306303138
  3  Al  1.933801238719  1.978049297192  8.053228122619  -0.027553631993  -0.052205181461  0.048906023121  -0.003812802121  -0.002177570628  -0.002681274474
  4  Al  0.040644414694  7.997005741096  4.233920932230  0.141663692821  0.293997323242  -0.754537549488  0.002601890368  -0.003507863371  0.004827714704
  5  Al  0.018326925066  2.016419978722  6.144633377600  -0.016138579683  -0.091580072861  -0.334207064488  0.000709400779  -0.000789825779  0.001742642798
  6  Al  1.980168664710  0.000211298099  6.051670832036  0.159712390579  0.022311545715  0.215038083128  -0.001789700083  0.000958357130  -0.000238743577
  7  Al  2.010440030095  2.044322678669  4.137473266519  -0.051805868561  -0.145885807501  -0.248667173361  -0.000868411133  0.000118188203  0.003265016824
  8  Al  8.039761580384  4.163626190066  7.931030680678  0.031743630125  -0.308514135671  0.464696882287  -0.002478737061  0.003394521340  -0.005355200078
  9  Al  0.040795494372  6.056133852633  2.022022417244  -0.178422051145  -0.013441788893  0.026527256368  0.001246718829  -0.000847936248  0.000358105656
  10  Al  2.095768234614  3.936472437102  2.025385824262  -0.348844462844  0.323063101287  0.344305856887  0.001732424722  -0.002422032442  0.001556551389
  11  Al  2.044506576694  6.120716662848  0.164802276593  -0.102010001695  -0.151907468231  -0.404389553167  0.000082229151  0.001611005096  0.006402241031
  12  Al  8.049172352437  4.097234176801  3.951306029767  0.392812309230  -0.298230794687  0.227661788581  -0.000302397332  0.001259410994  -0.002809791578
  13  Al  0.008640203497  6.027090028068  5.962270569625  -0.096763160029  0.018898117933  0.418001118177  -0.000002277168  -0.001864839398  -0.003298934480
  14  Al  1.989449899283  3.980580899693  6.113913657330  -0.007640970584  0.092362760637  -0.304418574452  -0.001928736175  -0.003314393114  0.000363721558
  15  Al  2.129959890155  6.083660530999  3.913116018862  -0.454789957125  -0.223873188668  0.558279059935  0.002345030754  -0.000515503268  -0.004448336219
  16  Al  4.207595659670  0.163566228019  0.014489873830  -0.092826549176  -0.444389801616  0.155767486667  0.006276129278  0.005641128354  0.001729418452
  17  Al  3.890771769767  1.889787881550  2.001560694313  0.422177258687  0.274225819496  0.127750120979  -0.004584035323  -0.004559065581  -0.000764882439
  18  Al  6.173816698528  7.960528808499  1.870667522343  -0.259489881545  0.542353752509  0.459092888570  0.002475253788  -0.004617545134  -0.004909986203
  19  Al  6.107781129646  2.159336373433  7.906927698387  -0.126615576141  -0.661979062851  0.843104952029  0.000280455174  0.003093338022  -0.005895634983
  20  Al  4.085559581261  0.151042288678  4.062969089048  -0.227721911019  -0.451982947418  0.087901439085  0.000493718876  0.004229042216  0.000519143904
  21  Al  4.090763684428  1.986740654409  6.125158255634  -0.050275831619  0.241037726017  0.006193564166  0.001757156708  -0.000612623534  0.002679504006
  22  Al  6.077500041665  0.038297313729  6.104473475165  -0.124571547994  0.037734736430  0.071251524542  -0.000089085921  0.002626092261  0.001761698603
  23  Al  6.188039150416  2.050308595582  4.028892520974  -0.222526277630  -0.000263488621  0.080045000913  0.003521007886  0.001010646922  0.000301282635
  24  Al  4.093545898351  4.024001675999  0.151754404264  0.027775700506  0.025863023256  -0.717543786058  0.002327157353  -0.001361658585  0.003634124212
  25  Al  4.001688936831  6.226397982552  2.161032171261  0.405255816526  -0.176299442121  -0.489034984313  -0.000761608183  0.005393055542  0.003921442758
  26  Al  5.994070922289  4.173862202570  1.926837564257  0.366621284285  -0.384950085324  0.448407671055  -0.002451674593  0.004408998300  -0.002605491582
  27  Al  6.010688702655  6.134075762330  0.125607733163  -0.030125751293  -0.284099895762  -0.877187555399  -0.002643891251  0.001338489424  0.002626932857
  28  Al  4.080226540335  4.119422060971  4.151157148922  -0.095934122487  -0.026565900827  -0.202483688457  0.000878477904  0.002842984131  0.002899316375
  29  Al  3.940973318632  6.116272909950  6.272576711338  0.408278231230  -0.076541745162  -0.214515755796  -0.002374792826  0.001330404648  0.006965964826
  30  Al  6.111581593764  3.916823814569  6.101748620506  -0.147247170860  0.752211984168  -0.374593043579  0.001114226193  -0.003429352492  0.000247273166
  31  Al  6.197670475875  6.023976716269  4.019643540708  -0.343440777450  0.224604724343  -0.000067224449  0.003805015588  -0.001262982000  -0.001918032351


MDSTEP:  63
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -66.450154657048  -0.021052212361  1.305890967469
  -0.021052212361  -68.314469616485  -1.776196375095
  1.305890967469  -1.776196375095  -58.176043811190
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.970054764419  8.057178999470  8.013555363742  0.431545738466  0.018228759655  -0.034729099619  -0.003648541473  -0.001637997500  -0.004258414982
  1  Al  8.048488851644  1.934443261446  1.885699313923  0.232698878523  0.263058121283  0.103066931754  -0.000884238954  -0.002714336386  -0.005575691444
  2  Al  1.943936741327  7.968408624905  1.964991736077  -0.011104049356  0.688624599155  0.287335159325  -0.003123724306  -0.003674155576  -0.001291646312
  3  Al  1.931893606021  1.976958178326  8.051889671463  -0.027691381334  -0.052332121532  0.062197633204  -0.003927909984  -0.002250024284  -0.002748429113
  4  Al  0.041951692194  7.995264950984  4.236301062025  0.137689168610  0.303893708805  -0.769569004304  0.002702668044  -0.003554096725  0.004826842706
  5  Al  0.018680904067  2.016020972236  6.145489760064  -0.017608551094  -0.091557546331  -0.343729570048  0.000726768010  -0.000829462705  0.001730574454
  6  Al  1.979280953755  0.000691473982  6.051561072373  0.169423831693  0.011301961656  0.220322200765  -0.001811072019  0.000989104294  -0.000205588987
  7  Al  2.010003508825  2.044375251728  4.139094659598  -0.052201381680  -0.147059841075  -0.260340447373  -0.000903037466  0.000094653901  0.003312417742
  8  Al  8.038523630782  4.165309660266  7.928373852422  0.036245612344  -0.312533392918  0.475072941235  -0.002544012679  0.003435354056  -0.005423296545
  9  Al  0.041410878386  6.055709283666  2.022202655830  -0.184313127770  -0.013231475721  0.022789187958  0.001249331490  -0.000874858626  0.000372975634
  10  Al  2.096618853753  3.935275861686  2.026179490305  -0.356464741752  0.316338706392  0.346195731031  0.001717543809  -0.002433113722  0.001664980680
  11  Al  2.044543131459  6.121515375187  0.167985321041  -0.100142244489  -0.160395210220  -0.426511739695  0.000066008268  0.001628768744  0.006510565709
  12  Al  8.049038712340  4.097850551488  3.949911310378  0.395499679061  -0.308756453172  0.226869391582  -0.000238615432  0.001239923832  -0.002849066700
  13  Al  0.008634739634  6.026158453108  5.960639786885  -0.096836391669  0.019089176988  0.427807561477  -0.000020149991  -0.001915159250  -0.003316335509
  14  Al  1.988485189647  3.978927831718  6.114081910708  -0.003792967115  0.104467435544  -0.308615023084  -0.001985445624  -0.003391932683  0.000317831244
  15  Al  2.131112076585  6.083392772314  3.910916805626  -0.461853748140  -0.227955011560  0.579107737367  0.002328389531  -0.000571937951  -0.004472086580
  16  Al  4.210729574995  0.166366928132  0.015361545807  -0.098658330368  -0.460385780496  0.150984757291  0.006439627671  0.005720694625  0.001807539274
  17  Al  3.888498623277  1.887520606555  2.001183963478  0.423238079527  0.280330174706  0.134645896533  -0.004638556837  -0.004639619517  -0.000762819795
  18  Al  6.175042726317  7.958244278950  1.868233050529  -0.253704905939  0.564737029552  0.474103058813  0.002499479289  -0.004648964976  -0.004965839740
  19  Al  6.107915697563  2.160853452218  7.904017567384  -0.119524391472  -0.674790941939  0.873378399283  0.000265908573  0.003059647957  -0.005907885443
  20  Al  4.085796261611  0.153136606311  4.063232590163  -0.230003268376  -0.455940334053  0.094383804267  0.000465865036  0.004267570229  0.000550891331
  21  Al  4.091640015471  1.986445116942  6.126498284487  -0.056621995336  0.244246553792  -0.002661426592  0.001798030821  -0.000585666079  0.002757151649
  22  Al  6.077449930402  0.039612046589  6.105357509384  -0.129290368252  0.027288056477  0.065747364716  -0.000115006671  0.002707854450  0.001825137179
  23  Al  6.189789707515  2.050813907265  4.029046740274  -0.220973713790  -0.000267998253  0.070906697923  0.003581821299  0.001039762393  0.000323861182
  24  Al  4.094710718591  4.023322002774  0.153539392421  0.019120733771  0.031011146503  -0.730326298469  0.002398625897  -0.001395720892  0.003605820793
  25  Al  4.001326247529  6.229086629801  2.162971032952  0.415584139478  -0.176271508269  -0.499383580529  -0.000708085890  0.005516254423  0.003943690455
  26  Al  5.992861472832  4.176049494590  1.925554862128  0.380925142990  -0.400860762867  0.461876385557  -0.002453664217  0.004463951117  -0.002596951462
  27  Al  6.009365410419  6.134732307879  0.126881989623  -0.031023741674  -0.289684864335  -0.902793719543  -0.002725810805  0.001324338173  0.002539017515
  28  Al  4.080661491066  4.120842365550  4.152597756162  -0.098178605112  -0.028553548813  -0.200649604951  0.000885973932  0.002919954620  0.002945902455
  29  Al  3.939804172109  6.116934690886  6.276050104974  0.406445279963  -0.076441869423  -0.214244300438  -0.002368384977  0.001354724997  0.007127545531
  30  Al  6.112132124964  3.915142761928  6.101855512914  -0.150115240429  0.775045164694  -0.390684651540  0.001119028426  -0.003387838003  0.000184019214
  31  Al  6.199557631990  6.023355265020  4.018684521528  -0.348313139284  0.229358065775  0.007447626104  0.003851190475  -0.001257672937  -0.001972702393


MDSTEP:  64
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -65.874519555971  -0.001968661280  1.396857460149
  -0.001968661280  -67.757323369771  -1.740029223910
  1.396857460149  -1.740029223910  -57.501496153832
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.968249783622  8.056360815539  8.011424603872  0.437644665353  0.017072590643  -0.028638983010  -0.003570836476  -0.001634841584  -0.004264080043
  1  Al  8.048057133723  1.933097851856  1.882916075255  0.229602405081  0.268108862162  0.105671245640  -0.000842909552  -0.002666850439  -0.005557030401
  2  Al  1.942374382827  7.966602328389  1.964358756699  -0.012343565353  0.711652082712  0.290802736216  -0.003125820506  -0.003548971849  -0.001239961200
  3  Al  1.929928413235  1.975830826957  8.050518237118  -0.024480850034  -0.052071132157  0.074902419280  -0.003932574144  -0.002259357860  -0.002736172467
  4  Al  0.043309180873  7.993501486561  4.238680083920  0.130898846934  0.313939649682  -0.783448608927  0.002726679620  -0.003498862867  0.004688004049
  5  Al  0.019043500976  2.015602148295  6.146339682703  -0.022182300419  -0.091171840999  -0.351227281603  0.000723210736  -0.000845798580  0.001668445811
  6  Al  1.978382990930  0.001186531323  6.051468126202  0.182709038681  0.000092004200  0.227797727192  -0.001779591593  0.000990122906  -0.000165527388
  7  Al  2.009549656709  2.044416005157  4.140739231344  -0.049168318150  -0.148186658216  -0.271019930408  -0.000912099845  0.000068259077  0.003264914506
  8  Al  8.037253244608  4.167013367164  7.925683439740  0.038244669868  -0.316938686861  0.484799066686  -0.002537353301  0.003379079705  -0.005337484678
  9  Al  0.042027305400  6.055271262911  2.022390162316  -0.193027608604  -0.013259112564  0.016949860022  0.001215597500  -0.000877226866  0.000376528276
  10  Al  2.097461691812  3.934073445051  2.027027455469  -0.360673660307  0.309087494057  0.345575952809  0.001653432152  -0.002377201070  0.001726824570
  11  Al  2.044571659271  6.122322589950  0.171221538975  -0.094873132076  -0.169374742626  -0.450532398418  0.000048574034  0.001599287548  0.006432158594
  12  Al  8.048937083318  4.098456712102  3.948496918008  0.394929733955  -0.319298413552  0.227003979118  -0.000167951611  0.001183776179  -0.002808490747
  13  Al  0.008620336087  6.025201726762  5.959000741975  -0.099352821509  0.018847818799  0.439666619909  -0.000037689165  -0.001911767710  -0.003238783942
  14  Al  1.987492297291  3.977236535034  6.114227031349  0.003320232824  0.116849206783  -0.310404322390  -0.001985487886  -0.003372147134  0.000262491360
  15  Al  2.132255626654  6.083096613831  3.908706648243  -0.465728840581  -0.232143848278  0.601064551626  0.002245464315  -0.000613070458  -0.004366580027
  16  Al  4.213944978839  0.169206696365  0.016272064408  -0.102679067917  -0.476519661558  0.144757731963  0.006421628253  0.005636935952  0.001833978440
  17  Al  3.886198263448  1.885213327454  2.000808572203  0.427215438274  0.286932231859  0.139630143353  -0.004562526905  -0.004588906666  -0.000738299715
  18  Al  6.176281125444  7.955945040003  1.865771322895  -0.250943768337  0.587446026713  0.487417956890  0.002454364060  -0.004545960640  -0.004879880453
  19  Al  6.108043309152  2.162353113284  7.901102664363  -0.115101596958  -0.687275382403  0.903294427381  0.000244933178  0.002937880207  -0.005749052171
  20  Al  4.086018913066  0.155250011057  4.063512254750  -0.229517549055  -0.459560637707  0.102148260643  0.000424784206  0.004185725101  0.000568461156
  21  Al  4.092536499898  1.986163201635  6.127876741347  -0.060639329655  0.247625569327  -0.009733670734  0.001787547743  -0.000541693065  0.002756043537
  22  Al  6.077386647834  0.040967193580  6.106273016857  -0.137374769997  0.016934151531  0.061799660845  -0.000138846342  0.002711807884  0.001836539791
  23  Al  6.191570740719  2.051333776482  4.029211840369  -0.222821534828  -0.000075952892  0.062712554568  0.003542146323  0.001039731644  0.000335806647
  24  Al  4.095910886229  4.022625528515  0.155309657495  0.012406535349  0.035931045530  -0.744340130125  0.002401444412  -0.001389736309  0.003473986676
  25  Al  4.000990781045  6.231836877740  2.164920555914  0.429103834830  -0.176263239644  -0.511772199826  -0.000632571393  0.005484738070  0.003853293856
  26  Al  5.991651667941  4.178263551816  1.924277032105  0.392526680175  -0.417037251119  0.473622980367  -0.002384518180  0.004390831623  -0.002513318492
  27  Al  6.008001118266  6.135381528156  0.128111143827  -0.034935496581  -0.295559452988  -0.929702165503  -0.002731707514  0.001272017752  0.002375193702
  28  Al  4.081100089484  4.122301066527  4.154061738424  -0.097545039425  -0.030903719170  -0.197627168981  0.000868476379  0.002914639183  0.002910296798
  29  Al  3.938638147579  6.117608636460  6.279604301096  0.407252784069  -0.076456454090  -0.211991595003  -0.002295640955  0.001341055997  0.007089440348
  30  Al  6.112684929080  3.913483487167  6.101930059058  -0.156015151296  0.797909906278  -0.405156735211  0.001091660589  -0.003247216951  0.000112871567
  31  Al  6.201467657755  6.022736680774  4.017698503237  -0.356450464311  0.233667546546  0.015977315633  0.003788185116  -0.001216278780  -0.001970608220


MDSTEP:  65
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -65.307552336601  0.017048823817  1.487529387405
  0.017048823817  -67.198434163130  -1.698242891025
  1.487529387405  -1.698242891025  -56.827480723372
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.966483927943  8.055544157886  8.009291283699  0.448223119233  0.015113190322  -0.021925116440  -0.003595674921  -0.001680589020  -0.004395784558
  1  Al  8.047645942092  1.931776411006  1.880142283521  0.230557177688  0.272038911404  0.111840685390  -0.000825660622  -0.002696582379  -0.005702578855
  2  Al  1.940810920821  7.964859653056  1.963751774877  -0.017690792304  0.733268658419  0.297266977739  -0.003221720237  -0.003521690763  -0.001222766747
  3  Al  1.927961031877  1.974698820466  8.049153498996  -0.025368101929  -0.052603705683  0.088117600207  -0.004054335511  -0.002336312722  -0.002802689371
  4  Al  0.044678371814  7.991766088117  4.240989066074  0.127283229464  0.323224955614  -0.798111441624  0.002831690792  -0.003544453189  0.004682081321
  5  Al  0.019404114803  2.015175173656  6.147158205875  -0.022654377550  -0.091714556266  -0.362001525293  0.000740631201  -0.000887836444  0.001652495659
  6  Al  1.977501362161  0.001681596888  6.051395544985  0.191336415638  -0.011488077685  0.232132285042  -0.001798179283  0.001018574733  -0.000128116806
  7  Al  2.009091408980  2.044443510805  4.142359574104  -0.050810906115  -0.149936389484  -0.282244659354  -0.000948480493  0.000042846785  0.003311258356
  8  Al  8.035986277481  4.168688739971  7.923036367744  0.044805492878  -0.320335736169  0.494855688670  -0.002605308595  0.003421090945  -0.005406326585
  9  Al  0.042626475885  6.054832056800  2.022579184107  -0.197639658128  -0.012329793846  0.014209109458  0.001215850577  -0.000905719871  0.000390615627
  10  Al  2.098272285905  3.932898660615  2.027906314875  -0.369288493094  0.302923497673  0.347641063184  0.001635494143  -0.002391686887  0.001842095390
  11  Al  2.044591705493  6.123114662734  0.174417479636  -0.094030373349  -0.177709997836  -0.472434717822  0.000032630295  0.001614985111  0.006538835442
  12  Al  8.048870760729  4.099034327667  3.947102819631  0.398414379621  -0.329200455610  0.226332107120  -0.000099918171  0.001159344392  -0.002850435039
  13  Al  0.008597050469  6.024246685398  5.957401002944  -0.097944044425  0.019974595309  0.448128735402  -0.000056975857  -0.001965155247  -0.003253551332
  14  Al  1.986499701761  3.975555684584  6.114344402068  0.005871295443  0.129351199333  -0.315142929072  -0.002043799843  -0.003449955246  0.000212722633
  15  Al  2.133357540900  6.082779701856  3.906550225599  -0.474125351354  -0.235415439356  0.621614654310  0.002225842785  -0.000674381951  -0.004384120014
  16  Al  4.217151203248  0.172003864084  0.017195524247  -0.110296970874  -0.493238096649  0.139567941798  0.006593355224  0.005715611239  0.001914798193
  17  Al  3.883936096372  1.882931699889  2.000445663763  0.426458704953  0.292378769208  0.147573370932  -0.004619876880  -0.004672301315  -0.000733856753
  18  Al  6.177497090378  7.953698318309  1.863353170076  -0.243326014022  0.609221350187  0.504137101201  0.002481988573  -0.004571240048  -0.004933992339
  19  Al  6.108160630741  2.163791332426  7.898268515213  -0.106387277470  -0.700236605820  0.932869522490  0.000231840109  0.002897676698  -0.005751304075
  20  Al  4.086221045817  0.157322331412  4.063801051319  -0.232594342430  -0.463919422546  0.108853312005  0.000394897381  0.004225421624  0.000604824041
  21  Al  4.093427563214  1.985903423877  6.129254328024  -0.068701539651  0.249913917769  -0.019831206526  0.001828900715  -0.000512028003  0.002835438780
  22  Al  6.077311084060  0.042323854473  6.107194049175  -0.140730362137  0.005977778381  0.054232266205  -0.000168586487  0.002794716283  0.001901942240
  23  Al  6.193331853838  2.051853638909  4.029382546921  -0.219512165567  -0.001115648293  0.053779464096  0.003606962996  0.001070601032  0.000356536698
  24  Al  4.097112163003  4.021932266465  0.157013379097  0.001508426130  0.041601112410  -0.756567055066  0.002474277159  -0.001424006043  0.003439317109
  25  Al  4.000693676136  6.234571367872  2.166824326809  0.437648686708  -0.175386931322  -0.521019503910  -0.000571623232  0.005615783391  0.003873021946
  26  Al  5.990476954652  4.180440326213  1.923041543636  0.408041310348  -0.431885272847  0.488365158122  -0.002381862897  0.004443503338  -0.002499640034
  27  Al  6.006633702905  6.136004325631  0.129257183326  -0.034615551168  -0.300452430039  -0.954718588681  -0.002819502563  0.001255047254  0.002272477904
  28  Al  4.081529967445  4.123757004733  4.155508052960  -0.101095570594  -0.032302639909  -0.195798010511  0.000876065429  0.002995662693  0.002960790004
  29  Al  3.937508531154  6.118275746883  6.283139545322  0.403407680045  -0.075523357896  -0.212707642227  -0.002289408408  0.001367021418  0.007261573100
  30  Al  6.113223785553  3.911895544977  6.101968384481  -0.157295619989  0.820485197152  -0.422400194124  0.001095342600  -0.003194974433  0.000040047269
  31  Al  6.203345817106  6.022138986240  4.016713913308  -0.359448405998  0.239321424077  0.023385547276  0.003835147364  -0.001208973377  -0.002025699171


MDSTEP:  66
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -64.723687163626  0.038779552387  1.586630688911
  0.038779552387  -66.619989863805  -1.649802146047
  1.586630688911  -1.649802146047  -56.145469236785
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.964706125894  8.054704538930  8.007092411375  0.454171221621  0.014210926103  -0.015739459262  -0.003515001517  -0.001677967465  -0.004399151744
  1  Al  8.047243417604  1.930440279858  1.877295993332  0.226799011959  0.277819695641  0.114478168080  -0.000784773307  -0.002647425415  -0.005682346112
  2  Al  1.939199269931  7.963131584520  1.963153679230  -0.018479277075  0.756161222276  0.300698296229  -0.003224953815  -0.003388536803  -0.001169309082
  3  Al  1.925932730177  1.973528312738  8.047756093135  -0.021426273034  -0.051393594682  0.100636694362  -0.004058518894  -0.002345610006  -0.002785814873
  4  Al  0.046099906725  7.990008309562  4.243294431440  0.119347490938  0.333379759066  -0.811330669744  0.002853739401  -0.003485753200  0.004538198354
  5  Al  0.019773417761  2.014727155827  6.147968272367  -0.027942743432  -0.090612785237  -0.369492706158  0.000736107855  -0.000904136377  0.001587100601
  6  Al  1.976610825189  0.002190370742  6.051341862812  0.204994331307  -0.022407391777  0.239763075086  -0.001762747599  0.001015544503  -0.000085929700
  7  Al  2.008614897505  2.044458232095  4.144002587047  -0.047312874021  -0.150395630746  -0.292386325770  -0.000957252688  0.000015997319  0.003259886759
  8  Al  8.034685625973  4.170384966551  7.920355324323  0.047074740071  -0.325187203960  0.504216937598  -0.002597094568  0.003363381658  -0.005317010211
  9  Al  0.043225566752  6.054378645727  2.022775127062  -0.206776236057  -0.012886596036  0.008283003745  0.001179696087  -0.000907974198  0.000392626405
  10  Al  2.099073525913  3.931716357743  2.028842902000  -0.372695317619  0.295292852909  0.346141509657  0.001569161324  -0.002338206776  0.001904119053
  11  Al  2.044603817517  6.123914211717  0.177665779695  -0.088200710821  -0.187861630395  -0.496840250687  0.000016338968  0.001582303271  0.006452182958
  12  Al  8.048838610623  4.099599284721  3.945687719075  0.396849437705  -0.339958560182  0.226641496029  -0.000028822158  0.001099522057  -0.002809939525
  13  Al  0.008564184477  6.023265000632  5.955794258471  -0.100538657605  0.019336435811  0.459776816935  -0.000074720068  -0.001961640869  -0.003172385229
  14  Al  1.985478064285  3.973836488913  6.114436676609  0.013288033137  0.141456802350  -0.316248228754  -0.002042087012  -0.003425745205  0.000156276718
  15  Al  2.134449269060  6.082431987895  3.904385951543  -0.477590402413  -0.240078681540  0.643348936612  0.002140760081  -0.000716890783  -0.004271033179
  16  Al  4.220442950625  0.174839622138  0.018159161980  -0.114663991210  -0.509065333353  0.132722481416  0.006573243876  0.005626006033  0.001939140760
  17  Al  3.881645220483  1.880608618457  2.000085331863  0.430425172366  0.299761416656  0.152575922119  -0.004543272078  -0.004619364409  -0.000707023622
  18  Al  6.178727208079  7.951439930261  1.860908708654  -0.240354406615  0.632020936711  0.517856755406  0.002438747892  -0.004460273880  -0.004842626824
  19  Al  6.108271795323  2.165208870451  7.895434562108  -0.101816589538  -0.711677893923  0.962147941393  0.000213226833  0.002771452558  -0.005581890877
  20  Al  4.086408097624  0.159414305193  4.064108329043  -0.231305881688  -0.466821064078  0.116931501824  0.000353425034  0.004142214094  0.000625009041
  21  Al  4.094338942637  1.985658580937  6.130671160966  -0.072727785062  0.253768728489  -0.027183631995  0.001816257035  -0.000466999137  0.002831235687
  22  Al  6.077220500219  0.043721479819  6.108147444458  -0.148938820355  -0.003869800312  0.049369954310  -0.000194482704  0.002794904735  0.001911204204
  23  Al  6.195125523221  2.052388889556  4.029563219192  -0.221495287153  -0.000549649255  0.045996312443  0.003567537247  0.001070452155  0.000365456581
  24  Al  4.098349369009  4.021222122998  0.158699219376  -0.005864444689  0.046073593969  -0.770295081531  0.002473887734  -0.001416167988  0.003302816733
  25  Al  4.000427427259  6.237371419835  2.168737548397  0.451158413189  -0.175689147712  -0.533235036384  -0.000492164517  0.005584397442  0.003778772348
  26  Al  5.989304262503  4.182642772766  1.921813553366  0.419423504531  -0.448095790861  0.500261168450  -0.002307888138  0.004364833664  -0.002411257551
  27  Al  6.005222404321  6.136618419142  0.130350746700  -0.038662514109  -0.306814506484  -0.981152938115  -0.002826053570  0.001200758027  0.002099412383
  28  Al  4.081963481224  4.125253392163  4.156979695862  -0.100014689700  -0.035112721366  -0.192495330829  0.000858086317  0.002989635808  0.002926076859
  29  Al  3.936381859128  6.118955881725  6.286760823917  0.403960554277  -0.076055414957  -0.210399997958  -0.002217230269  0.001353470385  0.007223747582
  30  Al  6.113764425796  3.910334733153  6.101969526979  -0.163208930250  0.842190168582  -0.436971579655  0.001066689724  -0.003046332452  -0.000036779949
  31  Al  6.205247323574  6.021545197133  4.015702109048  -0.367476078654  0.243060858296  0.031924265148  0.003770160838  -0.001165848748  -0.002020754514


MDSTEP:  67
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -64.149697097569  0.060102645880  1.685031298036
  0.060102645880  -66.040574564600  -1.595619728989
  1.685031298036  -1.595619728989  -55.465298074293
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.962968926426  8.053866190421  8.004892131955  0.464512534014  0.012353075021  -0.007629916902  -0.003537896497  -0.001726855434  -0.004535891701
  1  Al  8.046861168784  1.929128985591  1.874459937409  0.226761590909  0.282784802683  0.120445105438  -0.000766994008  -0.002676769330  -0.005834546257
  2  Al  1.937585967006  7.961471116253  1.962582465795  -0.023604541312  0.777398266021  0.306893700956  -0.003327494821  -0.003350911572  -0.001149102617
  3  Al  1.923902512983  1.972353210460  8.046367684123  -0.021828682483  -0.050741049935  0.115030876866  -0.004186669738  -0.002426781273  -0.002851173188
  4  Al  0.047532111215  7.988280334917  4.245527264428  0.114246416004  0.342499978132  -0.826693225571  0.002962568198  -0.003530123952  0.004526120897
  5  Al  0.020140222658  2.014271037279  6.148745306476  -0.029582438164  -0.089937136067  -0.379947699767  0.000753328158  -0.000948432207  0.001566606863
  6  Al  1.975738614562  0.002697141391  6.051309615285  0.213910239620  -0.033935366697  0.244549829152  -0.001778081275  0.001041422780  -0.000043936765
  7  Al  2.008134156292  2.044459508124  4.145619460863  -0.048691513141  -0.151179024352  -0.304454996145  -0.000995384001  -0.000011298645  0.003304629547
  8  Al  8.033389182912  4.172052121629  7.917719357534  0.053542890782  -0.328884431068  0.515256723045  -0.002667279260  0.003406017873  -0.005385749300
  9  Al  0.043806171973  6.053924082602  2.022971810512  -0.212184699223  -0.012950334342  0.005262969503  0.001177186800  -0.000938133062  0.000405886394
  10  Al  2.099841447229  3.930560453840  2.029810433928  -0.380733130820  0.289021165717  0.347025107185  0.001547751318  -0.002355906052  0.002026237771
  11  Al  2.044608044461  6.124696966005  0.180869662593  -0.087169006440  -0.197560664176  -0.517831593176  0.000000681265  0.001595201334  0.006556093724
  12  Al  8.048841938571  4.100133849725  3.944292880106  0.398949458314  -0.349759491592  0.224942684101  0.000043616473  0.001069613911  -0.002854299883
  13  Al  0.008522330401  6.022285044529  5.954228617714  -0.099597511889  0.019528874210  0.468071455046  -0.000095445455  -0.002018074117  -0.003183953903
  14  Al  1.984457614749  3.972129939379  6.114500678785  0.015760543582  0.153978699731  -0.320113257878  -0.002101885873  -0.003503332064  0.000102427070
  15  Al  2.135498300981  6.082062811073  3.902279192420  -0.485645582662  -0.244102576594  0.662285315534  0.002117506983  -0.000783432930  -0.004281406622
  16  Al  4.223724447124  0.177629870117  0.019134665007  -0.122499774903  -0.525600646559  0.128139849824  0.006752493556  0.005702798749  0.002022500855
  17  Al  3.879392824294  1.878312335480  1.999738640141  0.429924475951  0.306440744650  0.160459997701  -0.004603000352  -0.004704836350  -0.000699812812
  18  Al  6.179935838269  7.949238044429  1.858510543252  -0.232311795423  0.653490724198  0.535098887798  0.002469809703  -0.004478290900  -0.004893767875
  19  Al  6.108373857574  2.166562784984  7.892686624336  -0.092455731746  -0.722951295604  0.992296118608  0.000201851102  0.002724063244  -0.005572590791
  20  Al  4.086574470851  0.161464545506  4.064426060360  -0.233187773125  -0.470880705887  0.122647787449  0.000321441836  0.004182545688  0.000666203933
  21  Al  4.095243820249  1.985436424740  6.132085563711  -0.080510497972  0.256730489033  -0.037373955473  0.001857704759  -0.000434251911  0.002911906017
  22  Al  6.077116601356  0.045118759208  6.109105253379  -0.152312815161  -0.014659396665  0.040936818013  -0.000228188294  0.002878704358  0.001977995587
  23  Al  6.196899391085  2.052924091065  4.029748003501  -0.218240605138  -0.000759147504  0.036097916441  0.003636167044  0.001103080785  0.000384200990
  24  Al  4.099586050737  4.020516098478  0.160316195830  -0.017114123432  0.051455560246  -0.780843752716  0.002547456283  -0.001450508185  0.003260949336
  25  Al  4.000201511619  6.240155765314  2.170603099157  0.460123429924  -0.175489817822  -0.542312734281  -0.000423261351  0.005722889821  0.003795284521
  26  Al  5.988169066513  4.184805159877  1.920630286084  0.434923275385  -0.462750398240  0.515081301943  -0.002299780560  0.004414450361  -0.002391479205
  27  Al  6.003807649336  6.137205083658  0.131356595708  -0.038086464676  -0.312675121762  -1.004303401278  -0.002919584547  0.001180417524  0.001980712697
  28  Al  4.082388053762  4.126746640541  4.158434129819  -0.102620042991  -0.036680932745  -0.191880928428  0.000865668832  0.003074485512  0.002980182458
  29  Al  3.935291300885  6.119629217268  6.290363292904  0.400224708821  -0.075843260421  -0.211007557065  -0.002210970719  0.001380883122  0.007405923471
  30  Al  6.114290475277  3.908849212525  6.101931604532  -0.164085762963  0.863905562099  -0.454142833963  0.001069168750  -0.002982341370  -0.000120007432
  31  Al  6.207115977944  6.020973137492  4.014693158794  -0.370417069642  0.247752856291  0.038013408039  0.003817519140  -0.001156295709  -0.002076133442


MDSTEP:  68
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -63.561164736756  0.084904485794  1.790681298717
  0.084904485794  -65.442319023410  -1.533558550751
  1.790681298717  -1.533558550751  -54.775854506025
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.961220741721  8.053003314882  8.002623845050  0.472316529857  0.011404246498  -0.000645163273  -0.003454144653  -0.001724731547  -0.004536631487
  1  Al  8.046487807942  1.927803241305  1.871548048134  0.223987496911  0.287483578394  0.123710507023  -0.000726697364  -0.002625787747  -0.005812718921
  2  Al  1.935921164481  7.959830409889  1.962021632524  -0.025960673477  0.799665673191  0.310631836648  -0.003331925916  -0.003209923191  -0.001093896279
  3  Al  1.921808202380  1.971137551717  8.044947239368  -0.018959794097  -0.050267416882  0.127913046627  -0.004190316199  -0.002435811357  -0.002829454176
  4  Al  0.049018502088  7.986530582567  4.247753371987  0.106782785053  0.352527286510  -0.839981432226  0.002982328050  -0.003467989014  0.004377121382
  5  Al  0.020515564412  2.013792801018  6.149511626382  -0.033910102519  -0.089720432772  -0.387930543397  0.000747651970  -0.000964493464  0.001497959100
  6  Al  1.974859135635  0.003216335883  6.051298578192  0.225863640500  -0.044795752981  0.251984378384  -0.001738765806  0.001034384275  0.000000453036
  7  Al  2.007634287799  2.044447101153  4.147258166608  -0.046933062493  -0.152531546548  -0.314570844025  -0.001003932769  -0.000038450152  0.003249289083
  8  Al  8.032057936630  4.173740429550  7.915049514674  0.057887824367  -0.333624576865  0.524799861594  -0.002657317434  0.003346790044  -0.005292768990
  9  Al  0.044385280793  6.053454437196  2.023174988962  -0.219931444273  -0.012346045673  -0.000328513987  0.001138555928  -0.000940394540  0.000406327531
  10  Al  2.100598304254  3.929395419956  2.030839064711  -0.385381521586  0.281469897497  0.344921281165  0.001479261220  -0.002304904561  0.002088097281
  11  Al  2.044604488670  6.125485735781  0.184124562570  -0.082898913724  -0.207142694690  -0.541487356204  -0.000014522685  0.001559021145  0.006461391372
  12  Al  8.048881579705  4.100653022557  3.942875785022  0.398206911432  -0.360284739992  0.224915284184  0.000114881679  0.001006136467  -0.002814082904
  13  Al  0.008470155701  6.021276880404  5.952657563388  -0.100650833578  0.020066131610  0.478928015692  -0.000113347513  -0.002014534352  -0.003099292832
  14  Al  1.983407376303  3.970385156139  6.114537583373  0.021418582298  0.165898465202  -0.321010248214  -0.002098562086  -0.003474735276  0.000045111089
  15  Al  2.136535346290  6.081660183310  3.900168093024  -0.490963145570  -0.247595210121  0.682893763310  0.002030198865  -0.000827390359  -0.004161148580
  16  Al  4.227095218206  0.180457775332  0.020151643240  -0.128848799671  -0.541603130252  0.121359547031  0.006730023174  0.005607391500  0.002044805921
  17  Al  3.877110541588  1.875973615096  1.999395906239  0.431999554054  0.313130745866  0.165778778576  -0.004525944964  -0.004649447105  -0.000670647300
  18  Al  6.181160358867  7.947028109779  1.856087578043  -0.226927724293  0.675991471300  0.549724559503  0.002428754020  -0.004359436148  -0.004796785439
  19  Al  6.108470650387  2.167892500943  7.889944684220  -0.085735621293  -0.734679026323  1.021221953019  0.000185920924  0.002593752142  -0.005392583724
  20  Al  4.086724768359  0.163534770152  4.064764644638  -0.232741624641  -0.473660214875  0.130330992202  0.000279788083  0.004098104409  0.000688820054
  21  Al  4.096169073838  1.985230774545  6.133539846117  -0.086318282629  0.259480711295  -0.045229706355  0.001842790386  -0.000388103001  0.002904521309
  22  Al  6.076995698881  0.046557456117  6.110096081034  -0.158523522428  -0.024456090637  0.034723487090  -0.000255976839  0.002875207462  0.001984759564
  23  Al  6.198707719330  2.053475597524  4.029941717560  -0.218097511429  -0.001409408098  0.027981754252  0.003597158730  0.001102886918  0.000389929666
  24  Al  4.100859013884  4.019793144430  0.161911767063  -0.026745762072  0.055825170623  -0.793418366532  0.002543535241  -0.001440917364  0.003120211436
  25  Al  4.000010448295  6.243009365893  2.172476500234  0.471650612400  -0.174650666645  -0.554068487911  -0.000339961422  0.005691587514  0.003697268829
  26  Al  5.987038617147  4.186991700281  1.919457570430  0.447729886968  -0.478387975870  0.527469554042  -0.002220872003  0.004330313268  -0.002298275909
  27  Al  6.002346154611  6.137781315954  0.132302060056  -0.040334073156  -0.318007048083  -1.029377028853  -0.002926595287  0.001124034992  0.001798903130
  28  Al  4.082816301099  4.128282243672  4.159915644040  -0.102715116029  -0.039478753971  -0.189089204323  0.000847312017  0.003067676891  0.002946124003
  29  Al  3.934203705426  6.120316268662  6.294056822677  0.398765222992  -0.075340652765  -0.208956255976  -0.002139541594  0.001367367389  0.007368379008
  30  Al  6.114817725077  3.907396658108  6.101851300795  -0.167923859832  0.884479373968  -0.469029483655  0.001039487328  -0.002826037015  -0.000202538372
  31  Al  6.209008180005  6.020406064101  4.013656791259  -0.376107658041  0.252558632089  0.045834034590  0.003750780367  -0.001111568222  -0.002068637541


MDSTEP:  69
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -62.980571550775  0.109766893739  1.897088195569
  0.109766893739  -64.843776154688  -1.465632881057
  1.897088195569  -1.465632881057  -54.091445673839
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.959514781773  8.052141458874  8.000355500468  0.481493308847  0.009509923246  0.007517074816  -0.003474067198  -0.001776657861  -0.004677653396
  1  Al  8.046134471421  1.926503197844  1.868647218489  0.222574681393  0.292307601581  0.129605741255  -0.000708219443  -0.002654326072  -0.005970866522
  2  Al  1.934254041090  7.958261193062  1.961488569516  -0.030109561530  0.820362972589  0.316522778492  -0.003441133812  -0.003160800754  -0.001070235119
  3  Al  1.919712196784  1.969917399103  8.043538229947  -0.017893657290  -0.049264240825  0.142030564193  -0.004324555554  -0.002521044992  -0.002892917027
  4  Al  0.050514439265  7.984812345903  4.249904385810  0.099737115286  0.361596610753  -0.854508191556  0.003094489889  -0.003510440675  0.004357579867
  5  Al  0.020887874628  2.013306543815  6.150243265577  -0.037151185400  -0.089070798340  -0.398222283723  0.000764446064  -0.001011092484  0.001472256559
  6  Al  1.973999848756  0.003731525666  6.051310068321  0.235835549373  -0.056430343681  0.256938916347  -0.001750494033  0.001057350613  0.000047385205
  7  Al  2.007130223523  2.044421057972  4.148868749946  -0.047422999651  -0.153386644989  -0.325900165861  -0.001043979131  -0.000067853580  0.003291701996
  8  Al  8.030731865478  4.175398911674  7.912426588544  0.063998187172  -0.337305633837  0.535332734911  -0.002729054891  0.003389439350  -0.005360300247
  9  Al  0.044944727900  6.052983688062  2.023378138043  -0.226313721459  -0.012151896739  -0.003707837520  0.001132967436  -0.000972016660  0.000418642915
  10  Al  2.101320708449  3.928255549279  2.031898531208  -0.391915503702  0.275050400696  0.344575022019  0.001453791264  -0.002325568731  0.002216862897
  11  Al  2.044593521776  6.126255987150  0.187331053966  -0.080741703057  -0.217255647972  -0.562841011006  -0.000030062305  0.001568575673  0.006561338195
  12  Al  8.048956820250  4.101139986192  3.941478797202  0.398784120134  -0.369946372059  0.223621152813  0.000191944042  0.000970232325  -0.002860601182
  13  Al  0.008408982889  6.020270510177  5.951129324882  -0.100477844525  0.020681505463  0.487143527601  -0.000135428971  -0.002073681240  -0.003107004783
  14  Al  1.982359052662  3.968655204103  6.114545789875  0.024681416648  0.178430542799  -0.323931898167  -0.002159839286  -0.003551489257  -0.000012938029
  15  Al  2.137528499846  6.081235420714  3.898118043840  -0.497975312061  -0.251292022181  0.701711863633  0.002002420446  -0.000899218252  -0.004163431796
  16  Al  4.230454470298  0.183237261617  0.021179470928  -0.136273318723  -0.558202552574  0.115825223904  0.006915725030  0.005681089292  0.002130520831
  17  Al  3.874866879330  1.873662888375  1.999067992841  0.432313933374  0.319957878769  0.173298236753  -0.004587585002  -0.004736260268  -0.000660328366
  18  Al  6.182364592289  7.944878608281  1.853713757813  -0.219350565290  0.697133537374  0.567013434761  0.002463448659  -0.004368969262  -0.004843611212
  19  Al  6.108559778498  2.169156537126  7.887294040611  -0.076895877196  -0.745580792848  1.050168733935  0.000176733148  0.002538275277  -0.005370003030
  20  Al  4.086854258934  0.165562649915  4.065114880413  -0.232984090195  -0.477524290450  0.136694766134  0.000245588806  0.004138376504  0.000734945632
  21  Al  4.097086610635  1.985048321739  6.134990085020  -0.093352370480  0.261928790147  -0.055170173520  0.001883767184  -0.000352152306  0.002985958481
  22  Al  6.076860624517  0.047993966670  6.111090012943  -0.162734878218  -0.035151577272  0.025620156910  -0.000293586721  0.002959489980  0.002052296422
  23  Al  6.200496549815  2.054026977983  4.030137933168  -0.215430859716  -0.002346396411  0.018644480869  0.003669512004  0.001136978097  0.000406403652
  24  Al  4.102129585978  4.019075181113  0.163436407265  -0.037918891214  0.061011199439  -0.803661645941  0.002616995151  -0.001475138496  0.003070403418
  25  Al  3.999861550197  6.245847352828  2.174300367986  0.481253373421  -0.174105487095  -0.563344024506  -0.000262727713  0.005837154134  0.003709700225
  26  Al  5.985948194511  4.189135473145  1.918332010175  0.462184685580  -0.492571037310  0.541938975984  -0.002206332587  0.004376013012  -0.002271449547
  27  Al  6.000881054049  6.138329118650  0.133155498838  -0.040503185959  -0.323414107474  -1.052129924068  -0.003025430103  0.001099999665  0.001663177832
  28  Al  4.083235365779  4.129814317432  4.161380253822  -0.104355744480  -0.041223964140  -0.188173044555  0.000854679151  0.003156024460  0.003003336060
  29  Al  3.933151759291  6.120996584657  6.297731671912  0.395778151929  -0.074618717017  -0.209314223763  -0.002133098810  0.001396238302  0.007559894538
  30  Al  6.115329962605  3.906023175510  6.101729066160  -0.169379554395  0.905116966774  -0.485581693506  0.001040848861  -0.002749295233  -0.000296868919
  31  Al  6.210866758311  6.019861569270  4.012624521253  -0.379453698614  0.257754593585  0.052282732364  0.003798241982  -0.001099230561  -0.002124184887


MDSTEP:  70
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -62.386184092193  0.137226550913  2.011114874110
  0.137226550913  -64.226809399337  -1.389706663558
  2.011114874110  -1.389706663558  -53.399951949197
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.957799270752  8.051253555034  7.998017009780  0.488368363721  0.008909875025  0.014192833187  -0.003387362262  -0.001775011144  -0.004675712546
  1  Al  8.045790310708  1.925189100852  1.865667578558  0.217954802798  0.297582823743  0.131358904044  -0.000668836424  -0.002601590293  -0.005947536471
  2  Al  1.932532128298  7.956717462615  1.960967600411  -0.030806828060  0.842244727825  0.318885380099  -0.003446579693  -0.003012164822  -0.001013430087
  3  Al  1.917549119167  1.968654674513  8.042098120149  -0.012960146282  -0.048053294767  0.154089626663  -0.004327313862  -0.002529745110  -0.002866444095
  4  Al  0.052066142422  7.983073288803  4.252044979534  0.090354598651  0.371637881697  -0.866347388070  0.003111483951  -0.003444890039  0.004203736616
  5  Al  0.021268437016  2.012797016141  6.150961593463  -0.043222567157  -0.088174227332  -0.405012037958  0.000757260708  -0.001026938061  0.001400447988
  6  Al  1.973135143503  0.004257678557  6.051345246000  0.249350522453  -0.066827658738  0.265925401485  -0.001707118748  0.001046331436  0.000094128899
  7  Al  2.006606114166  2.044380274854  4.150500033324  -0.043944677162  -0.154327360881  -0.334624249507  -0.001052147336  -0.000095362990  0.003232651589
  8  Al  8.029370198729  4.177078553908  7.909770367601  0.067536865984  -0.342625829413  0.544076003005  -0.002717295752  0.003328653966  -0.005263801883
  9  Al  0.045501095476  6.052497136546  2.023587293762  -0.235356999428  -0.011900746020  -0.010385678279  0.001091694406  -0.000974166949  0.000417382965
  10  Al  2.102030085599  3.927105059567  2.033022365036  -0.394329546421  0.267207860009  0.340219278869  0.001383501522  -0.002277091233  0.002278083015
  11  Al  2.044574881498  6.127030563737  0.190586564273  -0.074691305638  -0.227648313074  -0.587543290154  -0.000043957904  0.001528801579  0.006458494666
  12  Al  8.049070617778  4.101608565885  3.940058492396  0.395842171191  -0.380433448236  0.224516729697  0.000262983061  0.000903148909  -0.002820537978
  13  Al  0.008336777080  6.019234594013  5.949597597631  -0.102552809934  0.020773684893  0.498863199242  -0.000153579766  -0.002069975176  -0.003018856491
  14  Al  1.981280236270  3.966887435256  6.114524841221  0.031835761476  0.190088267858  -0.322780400354  -0.002154786691  -0.003518543941  -0.000070753643
  15  Al  2.138507450752  6.080774578925  3.896067694209  -0.501554288363  -0.254985076694  0.722206896862  0.001913063219  -0.000944479061  -0.004036134484
  16  Al  4.233906241445  0.186052854809  0.022249908690  -0.142619373091  -0.573637904415  0.107739923114  0.006890792224  0.005579903569  0.002150507395
  17  Al  3.872592411106  1.871309060243  1.998745575027  0.435642602905  0.327394756452  0.177496721166  -0.004509990313  -0.004678387408  -0.000628967549
  18  Al  6.183586511727  7.942725285268  1.851317297504  -0.214953166669  0.719443262947  0.580796762267  0.002424622218  -0.004242328315  -0.004740997807
  19  Al  6.108644707854  2.170392347571  7.884655981261  -0.071094364761  -0.755814704498  1.077793662967  0.000163502926  0.002404051600  -0.005179764723
  20  Al  4.086966639032  0.167610493003  4.065488463436  -0.230653709949  -0.479576290082  0.145203293889  0.000204139920  0.004052812401  0.000760147116
  21  Al  4.098024321409  1.984883953709  6.136480598174  -0.098347720531  0.265018358305  -0.062158053868  0.001866629334  -0.000305043610  0.002975469422
  22  Al  6.076706556966  0.049472140397  6.112117306366  -0.170290891240  -0.044358481059  0.019371587271  -0.000323358985  0.002952381838  0.002056318651
  23  Al  6.202321676135  2.054595362148  4.030341968395  -0.216972548663  -0.002618403117  0.011517209490  0.003630855450  0.001136534248  0.000409100085
  24  Al  4.103436388593  4.018340339044  0.164935685588  -0.047336371253  0.064797936244  -0.816632241250  0.002609373392  -0.001463891249  0.002925550310
  25  Al  3.999751698193  6.248758147442  2.176130036824  0.493640605495  -0.173469358945  -0.575608252071  -0.000175572893  0.005806081193  0.003607878712
  26  Al  5.984865687706  4.191301461903  1.917220509879  0.473534617327  -0.508253497572  0.553205471865  -0.002122679955  0.004286540019  -0.002173544422
  27  Al  5.999366528519  6.138864661988  0.133940057925  -0.043869707644  -0.329288792369  -1.077013744964  -0.003032972979  0.001041648496  0.001472833920
  28  Al  4.083658040690  4.131390486965  4.162873510584  -0.102758783728  -0.044499718898  -0.184489385465  0.000836163261  0.003148360825  0.002970020307
  29  Al  3.932102901026  6.121691368378  6.301502262910  0.395072678279  -0.074682670098  -0.206248445470  -0.002062397315  0.001382890866  0.007522743534
  30  Al  6.115842815831  3.904688986296  6.101558926373  -0.174386314373  0.924283670967  -0.499218702350  0.001010116440  -0.002585748132  -0.000384909366
  31  Al  6.212748917858  6.019323475527  4.011564765829  -0.386431469934  0.261792670242  0.060602984579  0.003729772399  -0.001052783410  -0.002114092985


MDSTEP:  71
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -61.802747166050  0.165964082483  2.124070955510
  0.165964082483  -63.612739861273  -1.307590987263
  2.124070955510  -1.307590987263  -52.712516658845
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.956127419511  8.050366447730  7.995679787922  0.498821092695  0.006209299940  0.022713325913  -0.003403567941  -0.001829818904  -0.004820355838
  1  Al  8.045465634997  1.923901607551  1.862699682018  0.217248469452  0.301201491274  0.138722185021  -0.000649875032  -0.002628738643  -0.006110943832
  2  Al  1.930807461397  7.955249028240  1.960475139429  -0.035014794094  0.861445659035  0.326036992720  -0.003561779512  -0.002950407788  -0.000986037191
  3  Al  1.915384882922  1.967387653993  8.040671785852  -0.011676294452  -0.047791101827  0.168280171993  -0.004466601872  -0.002618684183  -0.002927472206
  4  Al  0.053625923216  7.981367455863  4.254108122426  0.083404006333  0.379838887589  -0.880662748619  0.003226028650  -0.003484656985  0.004175712957
  5  Al  0.021645135337  2.012279605754  6.151643713565  -0.045827706536  -0.088779978908  -0.416662235079  0.000773024763  -0.001075774488  0.001369007429
  6  Al  1.972292730008  0.004777857102  6.051404197219  0.258855693725  -0.079110604111  0.269574559279  -0.001714299446  0.001066001565  0.000146498428
  7  Al  2.006078076187  2.044325694981  4.152101401535  -0.044830569334  -0.156467878916  -0.345778065551  -0.001093649225  -0.000127047093  0.003272253618
  8  Al  8.028014569727  4.178727565640  7.907162786661  0.075460382555  -0.345498776391  0.554596088245  -0.002790144894  0.003370583493  -0.005329139256
  9  Al  0.046036422306  6.052009521113  2.023795521008  -0.240708594425  -0.010404095644  -0.012510234775  0.001082353243  -0.001007069184  0.000428486878
  10  Al  2.102704209971  3.925978458046  2.034176614223  -0.400873547699  0.261537868873  0.339933781520  0.001353965822  -0.002300424619  0.002412944456
  11  Al  2.044549563872  6.127784788729  0.193789548632  -0.072750662590  -0.237075553339  -0.608147339204  -0.000058948306  0.001534346592  0.006552711599
  12  Al  8.049219803311  4.102043135101  3.938658259224  0.396746412533  -0.389049801058  0.223056064961  0.000344410287  0.000860775937  -0.002868565099
  13  Al  0.008255403123  6.018200535001  5.948110468391  -0.101039991615  0.023063616165  0.505359310215  -0.000177219914  -0.002131473714  -0.003021823209
  14  Al  1.980204265972  3.965136660162  6.114475036232  0.034679816571  0.203073783962  -0.326057764861  -0.002216879001  -0.003593690333  -0.000132836216
  15  Al  2.139441563066  6.080290941653  3.894081909356  -0.508941721801  -0.257052710185  0.740055140620  0.001880438587  -0.001021609323  -0.004029066334
  16  Al  4.237345262522  0.188817165186  0.023329978323  -0.151737631153  -0.591183033582  0.102148507532  0.007081826938  0.005649148771  0.002237956933
  17  Al  3.870356889017  1.868984500967  1.998439025292  0.434503054927  0.333054594601  0.186232253616  -0.004572536718  -0.004765606049  -0.000615335858
  18  Al  6.184789214507  7.940636279965  1.848972760007  -0.206357844075  0.739407949516  0.599757880376  0.002462535576  -0.004242103463  -0.004782229606
  19  Al  6.108723281424  2.171560588726  7.882114275888  -0.061449416203  -0.766929101592  1.105772480255  0.000156455418  0.002339728560  -0.005142381524
  20  Al  4.087058398854  0.169615462316  4.065875027529  -0.231428093567  -0.484051820123  0.151372054686  0.000167985832  0.004092261296  0.000811568787
  21  Al  4.098953239968  1.984743278129  6.137965554442  -0.106827405527  0.266038969773  -0.073498506964  0.001906809154  -0.000265722829  0.003057170152
  22  Al  6.076537265532  0.050946348508  6.113146331595  -0.173735584541  -0.055617999587  0.007864215518  -0.000365327042  0.003036642317  0.002123939851
  23  Al  6.204127405265  2.055163512230  4.030547033253  -0.213506522391  -0.005265769824  0.002160554672  0.003706116217  0.001171793189  0.000423314926
  24  Al  4.104738959370  4.017611289864  0.166361957576  -0.060578365025  0.070613970081  -0.825781748530  0.002682041045  -0.001497753426  0.002866702318
  25  Al  3.999685977304  6.251653434021  2.177908246698  0.501513538802  -0.171571921985  -0.583399858468  -0.000089349062  0.005958096080  0.003615219782
  26  Al  5.983825514556  4.193422013164  1.916158465753  0.488188904458  -0.520857657507  0.568873403862  -0.002101190703  0.004327349939  -0.002138876129
  27  Al  5.997848081069  6.139370767146  0.134628332758  -0.043534910964  -0.333287836982  -1.098061725826  -0.003137067363  0.001013520828  0.001318861219
  28  Al  4.084071529040  4.132962678256  4.164350274129  -0.105308485775  -0.045455566336  -0.183995202826  0.000843448679  0.003239750843  0.003030074789
  29  Al  3.931089361975  6.122379475523  6.305254415446  0.390344401996  -0.072572098894  -0.207676052230  -0.002055260064  0.001413096059  0.007722760029
  30  Al  6.116340079045  3.903437427377  6.101344156794  -0.175009552979  0.944135160389  -0.516695288793  0.001009875013  -0.002495296568  -0.000490794433
  31  Al  6.214596530710  6.018808785860  4.010510428268  -0.388628079299  0.268402055593  0.066417800722  0.003776384540  -0.001037217881  -0.002169316419


MDSTEP:  72
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -61.206393908636  0.197837037695  2.244832107886
  0.197837037695  -62.979145737136  -1.216873475301
  2.244832107886  -1.216873475301  -52.019108182765
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.954447932664  8.049451815832  7.993270625280  0.507102364025  0.005559869329  0.030656428835  -0.003313639108  -0.001828766748  -0.004815584621
  1  Al  8.045150408409  1.922600701828  1.859650410934  0.213511180906  0.307057203982  0.141383574090  -0.000611365429  -0.002574360753  -0.006085902579
  2  Al  1.929025006492  7.953812330657  1.959996694570  -0.037239045159  0.882492236036  0.328865372127  -0.003568238954  -0.002794500995  -0.000927489391
  3  Al  1.913151060060  1.966076175657  8.039215571813  -0.007962266184  -0.045576645071  0.181286816478  -0.004468357546  -0.002627031192  -0.002896221169
  4  Al  0.055242665670  7.979642106032  4.256156613597  0.073879569877  0.389568925839  -0.892967729061  0.003240089689  -0.003415872480  0.004017151669
  5  Al  0.022029599236  2.011737750077  6.152309592628  -0.051395018771  -0.087180415869  -0.423968164995  0.000764333121  -0.001091505221  0.001293855676
  6  Al  1.971447151041  0.005307321669  6.051489496319  0.270635628807  -0.089491036448  0.277858580136  -0.001666963303  0.001050928700  0.000195438556
  7  Al  2.005529247664  2.044255177377  4.153722072189  -0.043104098881  -0.156756773945  -0.355087474495  -0.001101510521  -0.000155049152  0.003209596743
  8  Al  8.026622870332  4.180397413716  7.904523007278  0.080900580364  -0.350883359817  0.564083160507  -0.002776166337  0.003308327432  -0.005229130137
  9  Al  0.046566839340  6.051505521462  2.024009205244  -0.248679296933  -0.010688508998  -0.018737298168  0.001038602317  -0.001008954847  0.000425693371
  10  Al  2.103363273978  3.924839936385  2.035398281369  -0.404648831328  0.253750245575  0.335046983343  0.001281952701  -0.002254358232  0.002473287250
  11  Al  2.044516837790  6.128541364833  0.197038720464  -0.068491310471  -0.248488063966  -0.631370610958  -0.000071575237  0.001490937554  0.006441899587
  12  Al  8.049409742876  4.102456132684  3.937233947200  0.394190240764  -0.399392740374  0.222923078905  0.000415119454  0.000790289742  -0.002828694885
  13  Al  0.008162276715  6.017135829079  5.946622146166  -0.101815154210  0.022983906354  0.515905493319  -0.000195355018  -0.002127357099  -0.002930522870
  14  Al  1.979097376647  3.963348892321  6.114394043459  0.039897245958  0.214514155435  -0.324678332239  -0.002210211866  -0.003556358272  -0.000191011555
  15  Al  2.140359032847  6.079768646828  3.892100456387  -0.514143360004  -0.260986828549  0.758811582788  0.001788975517  -0.001067921685  -0.003895068727
  16  Al  4.240879393374  0.191615313903  0.024453522791  -0.159551022460  -0.606370648839  0.094687038630  0.007053997957  0.005542088334  0.002255553889
  17  Al  3.868090042789  1.866616585363  1.998139681877  0.436092096462  0.341173423121  0.190976841509  -0.004494706138  -0.004705330549  -0.000581613637
  18  Al  6.186011258174  7.938548279503  1.846608454165  -0.199648159391  0.761008967747  0.614650348983  0.002426238932  -0.004107967271  -0.004673662384
  19  Al  6.108798762366  2.172696171551  7.879592512758  -0.053336334168  -0.775757053784  1.132979057995  0.000146193654  0.002201813528  -0.004942238747
  20  Al  4.087132047018  0.171639956022  4.066287578199  -0.229449555568  -0.485864537089  0.159009547503  0.000126783702  0.004005551472  0.000839316679
  21  Al  4.099901869398  1.984622308561  6.139490854162  -0.113169754176  0.269287064905  -0.081124795232  0.001887141566  -0.000217865066  0.003043346940
  22  Al  6.076346836093  0.052462183562  6.114208653047  -0.179339895708  -0.064608806191  -0.000129207159  -0.000396891736  0.003025894127  0.002124631355
  23  Al  6.205970919709  2.055749173447  4.030758787292  -0.212848063448  -0.005534461549  -0.005720067900  0.003668000423  0.001170827656  0.000422996708
  24  Al  4.106077272061  4.016865569570  0.167758396587  -0.072066667077  0.074182450387  -0.836806102863  0.002670182675  -0.001484808730  0.002718068160
  25  Al  3.999663720247  6.254624812858  2.179689778825  0.512067493322  -0.171238628400  -0.594860575222  0.000001264353  0.005927449064  0.003509884148
  26  Al  5.982796741073  4.195562405983  1.915114456126  0.501035160511  -0.535834934474  0.580792734992  -0.002012754783  0.004232882381  -0.002036096803
  27  Al  5.996277601393  6.139862629713  0.135238680404  -0.044824618837  -0.339298854478  -1.120590715814  -0.003144966641  0.000953392062  0.001120515287
  28  Al  4.084488546128  4.134580521830  4.165857087004  -0.104707867366  -0.048834843177  -0.181544144440  0.000824673368  0.003231321348  0.002997395834
  29  Al  3.930079180198  6.123082779606  6.309106512416  0.387930244607  -0.072783760712  -0.205331357559  -0.001985682871  0.001400101350  0.007685837464
  30  Al  6.116837193688  3.902231981595  6.101075663483  -0.177684528026  0.961819461798  -0.530488021272  0.000978344416  -0.002324905596  -0.000584411868
  31  Al  6.216467351444  6.018302174395  4.009428738911  -0.393136957437  0.272172991220  0.073487957237  0.003706495308  -0.000988890861  -0.002156808945


MDSTEP:  73
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -60.617458878681  0.230349431976  2.364866356606
  0.230349431976  -62.350061904582  -1.118730618023
  2.364866356606  -1.118730618023  -51.333239764080
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.952813780403  8.048537680982  7.990864203301  0.516636006025  0.003195359178  0.039156823464  -0.003324871207  -0.001886278585  -0.004962713686
  1  Al  8.044854269567  1.921327246798  1.856613779440  0.211236510264  0.311547161602  0.148202172710  -0.000591678847  -0.002599390915  -0.006253268115
  2  Al  1.927239222444  7.952454527245  1.959547650038  -0.040497697828  0.901099821987  0.335485523422  -0.003689201593  -0.002719081063  -0.000895780574
  3  Al  1.910916525377  1.964760622801  8.037775564684  -0.005394539790  -0.043850310560  0.195009220808  -0.004612085970  -0.002719057071  -0.002953868482
  4  Al  0.056866012905  7.977951583383  4.258125274095  0.065020203527  0.397662866382  -0.906345893412  0.003356229928  -0.003452182595  0.003979271840
  5  Al  0.022409468458  2.011188100533  6.152937569241  -0.055737691993  -0.086596263074  -0.434940075810  0.000778824744  -0.001142344343  0.001255882348
  6  Al  1.970625766705  0.005828785802  6.051599635776  0.280855507718  -0.101561540039  0.282121309583  -0.001669247703  0.001066818251  0.000253329380
  7  Al  2.004976565666  2.044170645829  4.155310998278  -0.043199689373  -0.157932817336  -0.365423782644  -0.001144599318  -0.000189023868  0.003245483694
  8  Al  8.025238403390  4.182035893072  7.901933656524  0.088535385204  -0.354359905926  0.574013802998  -0.002849067982  0.003348771387  -0.005290897781
  9  Al  0.047075024623  6.051000566265  2.024221214379  -0.255030973137  -0.009988297031  -0.021317032699  0.001025256035  -0.001043037933  0.000435573744
  10  Al  2.103986162671  3.923724099813  2.036649901473  -0.409601945460  0.247946441300  0.333046011439  0.001247719447  -0.002279968250  0.002613792298
  11  Al  2.044477988635  6.129275726283  0.200231448218  -0.065497562555  -0.259429910601  -0.652344279955  -0.000086218281  0.001491628115  0.006528909252
  12  Al  8.049634922765  4.102833424843  3.935829564339  0.393573192409  -0.407907782790  0.222130918637  0.000501029003  0.000741018482  -0.002877845843
  13  Al  0.008060048105  6.016073177902  5.945179945521  -0.100947590789  0.024498609203  0.522330420014  -0.000220289814  -0.002190818403  -0.002928199962
  14  Al  1.977994054106  3.961580301891  6.114284024677  0.043343860868  0.227481802255  -0.326541360550  -0.002273016676  -0.003628996574  -0.000257178094
  15  Al  2.141230538582  6.079223019969  3.890186840628  -0.520444419259  -0.263735197832  0.776275225133  0.001750585119  -0.001150383515  -0.003877670649
  16  Al  4.244399260479  0.194359253520  0.025585532212  -0.168679903184  -0.623395389104  0.088165543560  0.007248671101  0.005605379745  0.002344351864
  17  Al  3.865862182879  1.864279170418  1.997857411655  0.435848000669  0.348083126480  0.199287794672  -0.004557605979  -0.004791799817  -0.000564159336
  18  Al  6.187215453439  7.936528312695  1.844299097622  -0.191347988082  0.780384155040  0.633522804897  0.002467542388  -0.004096776784  -0.004707561567
  19  Al  6.108869475079  2.173762402254  7.877172037141  -0.043727643266  -0.784833918515  1.159345368879  0.000141901607  0.002128064650  -0.004888379655
  20  Al  4.087185182556  0.173621013788  4.066714344208  -0.228383474089  -0.489838314186  0.165506818934  0.000088591641  0.004043279996  0.000896019260
  21  Al  4.100840381534  1.984525413063  6.141008901383  -0.120845724081  0.270997501235  -0.092064260156  0.001925734670  -0.000174971424  0.003124422772
  22  Al  6.076140373796  0.053972242635  6.115270962949  -0.183326089463  -0.075352637905  -0.012381760985  -0.000443004664  0.003109478642  0.002191231868
  23  Al  6.207795405689  2.056334339886  4.030970029961  -0.210139570244  -0.007767373467  -0.014499916722  0.003745952525  0.001206938340  0.000434620806
  24  Al  4.107409142044  4.016126481134  0.169080025736  -0.085379841093  0.079645865617  -0.845545566890  0.002740810523  -0.001517968694  0.002649550229
  25  Al  3.999687241657  6.257580883084  2.181418130845  0.520476696077  -0.170011265870  -0.602619140735  0.000096557112  0.006084995477  0.003511346836
  26  Al  5.981812759773  4.197654895545  1.914122368950  0.514617042096  -0.548282256176  0.595619982475  -0.001983247535  0.004267859257  -0.001992503739
  27  Al  5.994703114428  6.140324159208  0.135748848045  -0.044965160318  -0.344068375738  -1.140608301843  -0.003253542990  0.000920755022  0.000947652474
  28  Al  4.084896202408  4.136193999605  4.167347669963  -0.106102368811  -0.050117633246  -0.180717121584  0.000831524971  0.003325240039  0.003059564327
  29  Al  3.929103679104  6.123779576873  6.312940252910  0.383649067830  -0.071495562135  -0.206503824551  -0.001977828077  0.001431440886  0.007892947505
  30  Al  6.117318423461  3.901112521781  6.100759744926  -0.178630492876  0.979859122855  -0.546896116334  0.000976673750  -0.002219926714  -0.000702437740
  31  Al  6.218303026018  6.017819894999  4.008353619323  -0.395911106999  0.278122918397  0.079528693245  0.003751905856  -0.000969661740  -0.002211473923


MDSTEP:  74
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -60.019393528311  0.267051209637  2.492887600623
  0.267051209637  -61.703150053770  -1.012745398883
  2.492887600623  -1.012745398883  -50.641562231622
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.951174438244  8.047594684521  7.988384596754  0.524234826628  0.002611068290  0.045699921059  -0.003231818103  -0.001885759494  -0.004955127554
  1  Al  8.044567872340  1.920041477387  1.853493769966  0.206110959308  0.317537731999  0.149982316245  -0.000554368283  -0.002543151178  -0.006226610637
  2  Al  1.925392811415  7.951135265551  1.959114755833  -0.041264026095  0.921144226225  0.337430034589  -0.003696511033  -0.002556173756  -0.000835622407
  3  Al  1.908610241257  1.963399134173  8.036307347285  0.000172847177  -0.041078926066  0.205978517702  -0.004612552786  -0.002726649683  -0.002918020467
  4  Al  0.058547034248  7.976243267472  4.260074396680  0.053909302343  0.407419436705  -0.916000898956  0.003366862140  -0.003380208817  0.003816355349
  5  Al  0.022796389375  2.010613057540  6.153546068750  -0.062503455145  -0.084922964499  -0.441714428411  0.000768254071  -0.001157678038  0.001177510066
  6  Al  1.969803696994  0.006357655163  6.051738911187  0.293800082570  -0.111496716340  0.291153776136  -0.001617873907  0.001047770996  0.000304579760
  7  Al  2.004402334996  2.044069074355  4.156917405813  -0.040217091270  -0.158340631364  -0.372047056993  -0.001152056719  -0.000217298487  0.003179554332
  8  Al  8.023817826899  4.183694439005  7.899313865844  0.093715989579  -0.359998145529  0.581607755943  -0.002832774841  0.003284908292  -0.005187586045
  9  Al  0.047576252848  6.050478600826  2.024438048388  -0.263626011852  -0.010126087525  -0.028222835452  0.000978888473  -0.001044836144  0.000431144915
  10  Al  2.104591713335  3.922595198805  2.037971684659  -0.411525252139  0.240089712976  0.326241984111  0.001174311266  -0.002236338169  0.002672732170
  11  Al  2.044431951776  6.130009943917  0.203466743290  -0.059881018766  -0.271058352572  -0.677095300037  -0.000097427036  0.001444202846  0.006410058311
  12  Al  8.049903029847  4.103185700753  3.934400570590  0.389354684116  -0.418097135245  0.223977938443  0.000571022192  0.000667174236  -0.002837964032
  13  Al  0.007945390877  6.014978863780  5.943739193522  -0.102213156947  0.024653256344  0.533348175010  -0.000238452239  -0.002186424262  -0.002833823055
  14  Al  1.976859483223  3.959775971959  6.114140839348  0.049645768694  0.238512086995  -0.323463131317  -0.002264703470  -0.003587337056  -0.000315288028
  15  Al  2.142082567463  6.078636039343  3.888282704527  -0.524199418838  -0.267205102383  0.795693979048  0.001657194712  -0.001197849196  -0.003737137734
  16  Al  4.248016056098  0.197134077843  0.026761649112  -0.176763801343  -0.638199740629  0.078312268423  0.007217788682  0.005492594049  0.002359234860
  17  Al  3.863602862139  1.861898829700  1.997584240080  0.438375925428  0.356482647152  0.203183956036  -0.004479450989  -0.004728812144  -0.000528178652
  18  Al  6.188440671447  7.934514807193  1.841973635080  -0.185363966430  0.801472489635  0.647661411676  0.002433864611  -0.003955359939  -0.004593024620
  19  Al  6.108938471272  2.174791352785  7.874779669634  -0.036502028256  -0.792375200222  1.183695744492  0.000134729132  0.001987063290  -0.004678913466
  20  Al  4.087219269718  0.175620758190  4.067169751934  -0.225024106898  -0.491002648585  0.175204769219  0.000048057330  0.003955593520  0.000926478631
  21  Al  4.101797847109  1.984450040842  6.142566997529  -0.126832609362  0.273956872336  -0.099105212822  0.001903592405  -0.000126252895  0.003107332359
  22  Al  6.075910676854  0.055523613720  6.116366025423  -0.189832840681  -0.083791592594  -0.020935727581  -0.000476364804  0.003095251262  0.002188253308
  23  Al  6.209658988788  2.056937461858  4.031186692223  -0.210638707349  -0.008625375755  -0.020311979399  0.003708335250  0.001205472840  0.000431508648
  24  Al  4.108775730858  4.015371056929  0.170367005267  -0.096939126839  0.082668065194  -0.857778894047  0.002724511339  -0.001503457945  0.002497274248
  25  Al  3.999758785334  6.260615781380  2.183146867405  0.530947186108  -0.169445080714  -0.614127054382  0.000190553651  0.006054648324  0.003402570602
  26  Al  5.980844139202  4.199764317154  1.913152741080  0.526067976939  -0.562987246666  0.606377022979  -0.001890211043  0.004168512563  -0.001885046071
  27  Al  5.993074333007  6.140769156986  0.136171689501  -0.047064012559  -0.349896653332  -1.163522639684  -0.003261770332  0.000858715048  0.000741664826
  28  Al  4.085307222156  4.137854379384  4.168869374136  -0.104417905612  -0.053956552045  -0.176440601845  0.000812704610  0.003315935882  0.003027634683
  29  Al  3.928131914041  6.124492101490  6.316877496016  0.381551120524  -0.071544532154  -0.203668380404  -0.001909419731  0.001418653205  0.007856278405
  30  Al  6.117798775617  3.900046357774  6.100384079996  -0.182124106567  0.995808357725  -0.559283985069  0.000944422548  -0.002043303463  -0.000801329445
  31  Al  6.220161281862  6.017347496123  4.007251437266  -0.400954026466  0.281792732641  0.088168555288  0.003680666686  -0.000919605684  -0.002196481909


MDSTEP:  75
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -59.430777175588  0.305015015891  2.619141037511
  0.305015015891  -61.062593461142  -0.899597341554
  2.619141037511  -0.899597341554  -49.959800279576
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.949581962300  8.046651921488  7.985909075747  0.533712934378  0.000653614563  0.055480998248  -0.003237253828  -0.001945576544  -0.005103763677
  1  Al  8.044299901284  1.918784095620  1.850387168803  0.203127656291  0.322264172826  0.155841632319  -0.000534289611  -0.002565205807  -0.006396903592
  2  Al  1.923542711411  7.949898353489  1.958712027631  -0.044033565359  0.938971850607  0.342922305130  -0.003822224846  -0.002466070371  -0.000799500085
  3  Al  1.906303972591  1.962033973118  8.034857544217  0.003594290912  -0.038848281161  0.220390085041  -0.004759253946  -0.002820948799  -0.002971715050
  4  Al  0.060232875045  7.974571374566  4.261941629444  0.043879555487  0.415434768059  -0.929331669484  0.003483219022  -0.003412062479  0.003767790456
  5  Al  0.023177722529  2.010030422495  6.154115079307  -0.067650002442  -0.084121851725  -0.451654126870  0.000780739522  -0.001210179210  0.001132636554
  6  Al  1.969007892798  0.006876556798  6.051904215536  0.304053614955  -0.122894663617  0.296274492724  -0.001614300291  0.001059551597  0.000368479665
  7  Al  2.003824508947  2.043953347342  4.158490552610  -0.039825300830  -0.159369874186  -0.382535078718  -0.001196168268  -0.000253534570  0.003211309161
  8  Al  8.022405628549  4.185320801363  7.896746070479  0.101448854490  -0.363965689788  0.592236903730  -0.002905080178  0.003322846334  -0.005244680449
  9  Al  0.048053913097  6.049955730121  2.024652359295  -0.270247975183  -0.009429790024  -0.031661839262  0.000960846020  -0.001079949649  0.000439365539
  10  Al  2.105160473938  3.921487761644  2.039322633644  -0.415526769462  0.233936415616  0.322280230248  0.001135453433  -0.002263904272  0.002817764903
  11  Al  2.044380561598  6.130719929128  0.206641506529  -0.056647666125  -0.282234261457  -0.696826067879  -0.000111282715  0.001439203309  0.006487668317
  12  Al  8.050205944957  4.103500599079  3.932991600307  0.387257571461  -0.426492211873  0.222342430426  0.000660868407  0.000610531013  -0.002887265870
  13  Al  0.007821595867  6.013886753640  5.942346122466  -0.101524568467  0.026259756558  0.539955792387  -0.000264848792  -0.002251431009  -0.002825154056
  14  Al  1.975729350636  3.957992964835  6.113968736649  0.053362977646  0.250754666208  -0.323487277669  -0.002327399970  -0.003656567210  -0.000385020191
  15  Al  2.142887733294  6.078025170773  3.886449702895  -0.529921351213  -0.269660675088  0.810961310225  0.001612784312  -0.001285562269  -0.003708065196
  16  Al  4.251617049161  0.199851847569  0.027944767072  -0.186494423661  -0.654465873688  0.072250120086  0.007414382226  0.005548450986  0.002448336801
  17  Al  3.861382731891  1.859550358274  1.997329233004  0.438097588640  0.363835833743  0.210500710654  -0.004541402263  -0.004813118277  -0.000506854906
  18  Al  6.189649318050  7.932572952756  1.839706073002  -0.176768359746  0.820202482477  0.665757061453  0.002478050007  -0.003931858792  -0.004618288750
  19  Al  6.109004204210  2.175749465544  7.872493123675  -0.026680730565  -0.800013489750  1.209549765979  0.000133195743  0.001903514276  -0.004607302411
  20  Al  4.087233239886  0.177576607308  4.067640822839  -0.223095144309  -0.494230133237  0.180865243554  0.000008250698  0.003990811191  0.000988862092
  21  Al  4.102743973939  1.984399160168  6.144116233741  -0.134528270452  0.275747012191  -0.109307246147  0.001940168766  -0.000079568031  0.003187168535
  22  Al  6.075664008992  0.057067493897  6.117459216258  -0.193646662747  -0.093794269221  -0.033432168263  -0.000526927095  0.003177546025  0.002252999655
  23  Al  6.211503740938  2.057539812726  4.031401538608  -0.208213664711  -0.010876732442  -0.029565328479  0.003787918520  0.001242104387  0.000440664041
  24  Al  4.110133653383  4.014623023189  0.171577299983  -0.110726677765  0.087344653351  -0.864962548618  0.002792212019  -0.001535704784  0.002417965858
  25  Al  3.999877795308  6.263635531408  2.184820701447  0.538912865270  -0.168244367814  -0.622192442041  0.000295322404  0.006216519531  0.003396995260
  26  Al  5.979922548730  4.201823408108  1.912237322879  0.539074935008  -0.575015798765  0.620386478963  -0.001852212443  0.004196425161  -0.001831973420
  27  Al  5.991441344096  6.141182874256  0.136490512871  -0.046879713702  -0.354534109294  -1.181082303993  -0.003374422166  0.000821107703  0.000549020923
  28  Al  4.085708907018  4.139509935486  4.170375304646  -0.104995688790  -0.055757581395  -0.176513330747  0.000819295454  0.003411527216  0.003091596234
  29  Al  3.927194259373  6.125198230078  6.320796531315  0.377174740019  -0.070436008651  -0.204024437829  -0.001900300277  0.001450782410  0.008069128008
  30  Al  6.118262846009  3.899069218318  6.099958415481  -0.182926713725  1.011838320922  -0.574334261465  0.000940855143  -0.001923240117  -0.000931451448
  31  Al  6.221983692704  6.016900289315  4.006157137414  -0.403364335303  0.287142116059  0.092914566298  0.003723808897  -0.000896438948  -0.002249801189


MDSTEP:  76
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -58.830645551832  0.345482112775  2.752394710477
  0.345482112775  -60.405720994062  -0.776688144948
  2.752394710477  -0.776688144948  -49.271824266037
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.947987192162  8.045679162432  7.983359673889  0.542502587783  -0.000623915400  0.062804655820  -0.003141040935  -0.001945573889  -0.005093189025
  1  Al  8.044041836212  1.917515897809  1.847195683072  0.198473676489  0.327734538918  0.159008854488  -0.000498386741  -0.002507096390  -0.006368756185
  2  Al  1.921629630704  7.948707290007  1.958327606092  -0.045622852804  0.957190225510  0.345770065668  -0.003830240065  -0.002296554846  -0.000737931483
  3  Al  1.903924506281  1.960621762215  8.033381538049  0.008836299637  -0.035825001207  0.231681689611  -0.004758142660  -0.002827624536  -0.002931300158
  4  Al  0.061976445956  7.972883913111  4.263783983880  0.032542153958  0.424273556801  -0.939137781335  0.003490051068  -0.003336993159  0.003600750631
  5  Al  0.023565068359  2.009421572674  6.154661208807  -0.074160398612  -0.082595077225  -0.459293799279  0.000768061775  -0.001225083584  0.001051198465
  6  Al  1.968214333740  0.007400839249  6.052101698731  0.315849236732  -0.133560803889  0.304324666612  -0.001558881423  0.001036624663  0.000422172798
  7  Al  2.003224644637  2.043819456281  4.160079108010  -0.038142570644  -0.159995631719  -0.389422102554  -0.001203138539  -0.000282085616  0.003142296744
  8  Al  8.020957623188  4.186965955395  7.894150203031  0.108450721804  -0.368947859074  0.599917530165  -0.002886315306  0.003257324390  -0.005138102701
  9  Al  0.048522256120  6.049415333788  2.024870626791  -0.277850568472  -0.009036523565  -0.037599249295  0.000911846405  -0.001081600524  0.000433173648
  10  Al  2.105709626757  3.920366266382  2.040745921906  -0.417761454352  0.226931279727  0.315195326842  0.001060958065  -0.002222703032  0.002874754759
  11  Al  2.044322388111  6.131426915013  0.209854192813  -0.051965604302  -0.294118768424  -0.720460151938  -0.000120992663  0.001387677763  0.006360963949
  12  Al  8.050553689435  4.103786800538  3.931557905999  0.383555617894  -0.435665716731  0.223843791878  0.000729778552  0.000533454715  -0.002847377143
  13  Al  0.007684633359  6.012762211937  5.940957681267  -0.101591498162  0.027109607744  0.549410041585  -0.000283007222  -0.002246659826  -0.002727765534
  14  Al  1.974568035957  3.956175889873  6.113761766788  0.058389196157  0.262523176276  -0.320280089080  -0.002317409406  -0.003610680540  -0.000442572531
  15  Al  2.143670438156  6.077370335904  3.884631919975  -0.534403352810  -0.272400745138  0.828838328936  0.001517634449  -0.001334022170  -0.003561468288
  16  Al  4.255315904040  0.202596818672  0.029172165027  -0.196363594491  -0.669847908557  0.062474059995  0.007380154995  0.005430058287  0.002460381046
  17  Al  3.859131613564  1.857160062466  1.997085214856  0.439253787573  0.372145534538  0.215389663738  -0.004462967681  -0.004747322073  -0.000468780613
  18  Al  6.190880441571  7.930643686116  1.837426687728  -0.169046541861  0.839589039631  0.681358579480  0.002447134404  -0.003783474625  -0.004497857581
  19  Al  6.109069609463  2.176665462367  7.870243538909  -0.017665827056  -0.806488673490  1.232594997598  0.000129231193  0.001759894139  -0.004388976427
  20  Al  4.087227392963  0.179549920994  4.068143338497  -0.219635263358  -0.496193579949  0.190010596392  -0.000031329082  0.003902268024  0.001022018125
  21  Al  4.103708044957  1.984371701944  6.145704932014  -0.141716446213  0.277929181921  -0.117327924038  0.001915472687  -0.000030069778  0.003166907514
  22  Al  6.075391889508  0.058652074339  6.118584221680  -0.198877791545  -0.102880178066  -0.044457591031  -0.000562018499  0.003159963471  0.002246036367
  23  Al  6.213388393122  2.058160378734  4.031620549069  -0.207272538222  -0.012844953726  -0.035834303078  0.003750774352  0.001239983685  0.000434817361
  24  Al  4.111524809950  4.013859075071  0.172747619398  -0.124348308671  0.091007038791  -0.875384515590  0.002771196484  -0.001519760271  0.002262380083
  25  Al  4.000049545721  6.266736270711  2.186491387299  0.547552420094  -0.167285967332  -0.632157012757  0.000392451619  0.006186523361  0.003284857322
  26  Al  5.979020538964  4.203895917689  1.911349067222  0.550990960001  -0.588210029303  0.631705390583  -0.001754761337  0.004092433609  -0.001720037308
  27  Al  5.989752037507  6.141577580560  0.136712229379  -0.047550657066  -0.359726274898  -1.201476677993  -0.003382864173  0.000757253339  0.000336021865
  28  Al  4.086113861476  4.141213206751  4.171913212681  -0.104200144615  -0.058684953041  -0.173090629372  0.000800593497  0.003401296136  0.003060341891
  29  Al  3.926260968810  6.125920472818  6.324821975500  0.373540840718  -0.069902393457  -0.202482104167  -0.001833186844  0.001438236257  0.008032786615
  30  Al  6.118725096823  3.898152827069  6.099467017222  -0.184725918945  1.026646072486  -0.586819659014  0.000907987262  -0.001741001079  -0.001035257772
  31  Al  6.223827566912  6.016464904990  4.005036390067  -0.407036166641  0.291755701847  0.100895351129  0.003651359675  -0.000844685900  -0.002232474722


MDSTEP:  77
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -58.242873482313  0.388991846567  2.883550272518
  0.388991846567  -59.757350775834  -0.647863705750
  2.883550272518  -0.647863705750  -48.593630663704
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.946440921365  8.044706347599  7.980815886722  0.552410992198  -0.002773509431  0.073767408490  -0.003139374784  -0.002007402256  -0.005241629684
  1  Al  8.043801514543  1.916276999230  1.844018412617  0.195646360525  0.331910998985  0.166526736210  -0.000477796627  -0.002525529206  -0.006540100317
  2  Al  1.919712471346  7.947601798643  1.957974096148  -0.048480679773  0.973594793084  0.352683724670  -0.003960023145  -0.002191098788  -0.000696847825
  3  Al  1.901545829930  1.959206348582  8.031926244058  0.012260043365  -0.033393859142  0.246958370878  -0.004906639696  -0.002923411969  -0.002979838817
  4  Al  0.063722926113  7.971234381407  4.265542380075  0.021974721017  0.431648966228  -0.952878560581  0.003605427158  -0.003363563779  0.003540106033
  5  Al  0.023945784303  2.008805338911  6.155166277772  -0.079484682087  -0.082220128768  -0.470619519289  0.000778176249  -0.001279018433  0.000998673100
  6  Al  1.967449011376  0.007913181461  6.052326388333  0.325519469734  -0.145218219023  0.307520775729  -0.001549019233  0.001043689952  0.000491949029
  7  Al  2.002621370408  2.043671261726  4.161632849354  -0.038144083560  -0.161465629907  -0.400409690154  -0.001248214906  -0.000320651637  0.003168806742
  8  Al  8.019519313243  4.188578125753  7.891607967778  0.117557897228  -0.372808199947  0.611385519889  -0.002956730799  0.003291905153  -0.005188845404
  9  Al  0.048965759501  6.048874129597  2.025085532942  -0.283725600270  -0.007778440160  -0.039619485605  0.000888885241  -0.001117349279  0.000439748139
  10  Al  2.106221432003  3.919265058612  2.042197388403  -0.421711888355  0.221198618915  0.311381891638  0.001017082187  -0.002251651137  0.003023435229
  11  Al  2.044259568936  6.132107606891  0.213002470478  -0.049079862018  -0.305237290050  -0.738211369745  -0.000134137211  0.001376277121  0.006427557224
  12  Al  8.050935723509  4.104034053794  3.930144223164  0.381370025533  -0.443355595530  0.221497400815  0.000823398602  0.000469252921  -0.002896333347
  13  Al  0.007538588644  6.011640093814  5.939618356931  -0.100046051770  0.029853307847  0.553509006928  -0.000310551532  -0.002312441124  -0.002712294155
  14  Al  1.973411941230  3.954382284295  6.113526164118  0.061603376185  0.274830130323  -0.321088258630  -0.002379614692  -0.003675284925  -0.000515716536
  15  Al  2.144405367743  6.076691148603  3.882888234606  -0.540349609816  -0.273924571878  0.842315463457  0.001466498862  -0.001426586546  -0.003519950911
  16  Al  4.258997204156  0.205281905855  0.030405148118  -0.207123480461  -0.686272914737  0.057039817106  0.007576288327  0.005476676074  0.002549195499
  17  Al  3.856919764209  1.854803036201  1.996860452390  0.438187770450  0.379043021443  0.224292080223  -0.004523154683  -0.004828143571  -0.000443052445
  18  Al  6.192096452453  7.928789478131  1.835208215421  -0.159500050559  0.857149231108  0.701115275649  0.002494207245  -0.003746617078  -0.004512570671
  19  Al  6.109133435403  2.177509359683  7.868104147249  -0.006841233892  -0.813397088716  1.257304630950  0.000131057031  0.001666142940  -0.004298113578
  20  Al  4.087201910804  0.181478875332  4.068662840965  -0.217576508222  -0.499471268966  0.194586682848  -0.000072641892  0.003933823608  0.001089802063
  21  Al  4.104659446627  1.984369090390  6.147283141255  -0.150108257017  0.278904745376  -0.128996247501  0.001949122190  0.000020333989  0.003244321134
  22  Al  6.075101990493  0.060227457367  6.119705252625  -0.201852518335  -0.112884912005  -0.059561966540  -0.000616746080  0.003239975873  0.002307458111
  23  Al  6.215254515290  2.058779796411  4.031836355969  -0.204158600555  -0.016266099468  -0.045853557775  0.003831421499  0.001276504621  0.000441031653
  24  Al  4.112904849867  4.013103262917  0.173839680067  -0.139558793729  0.095877473381  -0.880377080375  0.002834476935  -0.001550576367  0.002171985183
  25  Al  4.000270246926  6.269822054769  2.188105558769  0.553970203629  -0.165399806081  -0.638391003146  0.000506449047  0.006351446234  0.003271540305
  26  Al  5.978167787393  4.205915841717  1.910517285571  0.563891246662  -0.599051494964  0.646921099621  -0.001707422258  0.004112331661  -0.001656498862
  27  Al  5.988058479924  6.141940127595  0.136826534736  -0.046621109946  -0.363254338624  -1.215892674813  -0.003498508442  0.000714518590  0.000123702116
  28  Al  4.086509500515  4.142911231622  4.173435646537  -0.105296102692  -0.060353598059  -0.174548314044  0.000806585633  0.003497859672  0.003125042280
  29  Al  3.925361072529  6.126636466335  6.328829317930  0.367972011641  -0.067989105649  -0.204314078254  -0.001822761743  0.001470993156  0.008249249629
  30  Al  6.119170833272  3.897328217240  6.098923157708  -0.184575132553  1.040694616882  -0.602456423195  0.000902636826  -0.001605385586  -0.001177672548
  31  Al  6.225635052379  6.016055603415  4.003924662692  -0.408129872556  0.297810167536  0.104412344547  0.003691628720  -0.000817019883  -0.002284126284


MDSTEP:  78
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -57.645087165073  0.435552650069  3.022367701266
  0.435552650069  -59.095275299598  -0.508786691950
  3.022367701266  -0.508786691950  -47.914071975858
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.944895926546  8.043702522496  7.978198369257  0.560558918823  -0.003634382836  0.080963093763  -0.003039876075  -0.002007975117  -0.005227796888
  1  Al  8.043571361551  1.915029070929  1.840755806144  0.189828124913  0.337114454662  0.168026028856  -0.000443335486  -0.002465718812  -0.006510191541
  2  Al  1.917730292704  7.946549768586  1.957641437071  -0.050042946131  0.990917389732  0.353872191708  -0.003968831087  -0.002015472813  -0.000633682235
  3  Al  1.899093058102  1.957743149904  8.030447363600  0.017874738012  -0.030192146979  0.257472894139  -0.004903945668  -0.002929096512  -0.002934743025
  4  Al  0.065526621954  7.969571894071  4.267269839763  0.008933961545  0.440476628559  -0.960967212079  0.003608190372  -0.003285596379  0.003369009598
  5  Al  0.024331319491  2.008162154485  6.155644577799  -0.087268755192  -0.081091414658  -0.476628122273  0.000763268612  -0.001293618367  0.000913989843
  6  Al  1.966689052362  0.008428535235  6.052586108916  0.336680733590  -0.155010840839  0.316853646287  -0.001489819012  0.001016849690  0.000547767653
  7  Al  2.001995557928  2.043503718452  4.163199354556  -0.036518810132  -0.162594295603  -0.405784326959  -0.001254889715  -0.000349622361  0.003096733577
  8  Al  8.018046202639  4.190207413938  7.889040873789  0.124224251457  -0.378349949612  0.618516127071  -0.002935115649  0.003224752155  -0.005078893081
  9  Al  0.049397519690  6.048315107264  2.025303636035  -0.292021519082  -0.006766485405  -0.047001213998  0.000837413862  -0.001118649585  0.000432004310
  10  Al  2.106711122727  3.918149120542  2.043723024676  -0.423389288330  0.213703612600  0.301551278175  0.000941530750  -0.002212771191  0.003078231013
  11  Al  2.044190306478  6.132782101455  0.216183251307  -0.044639876283  -0.316894862408  -0.761865584326  -0.000142515688  0.001320658954  0.006293451423
  12  Al  8.051364469913  4.104248862419  3.928705957345  0.375994444214  -0.452482676214  0.223570344003  0.000891106441  0.000389165624  -0.002856544611
  13  Al  0.007378840856  6.010485207684  5.938286951507  -0.100662481131  0.031548248908  0.563810526116  -0.000328494730  -0.002306951869  -0.002612406593
  14  Al  1.972224887533  3.952556926640  6.113253953321  0.066433458257  0.285614802343  -0.315325170034  -0.002368168292  -0.003625181551  -0.000572611439
  15  Al  2.145114463741  6.075965611000  3.881165910349  -0.544625737530  -0.275697414738  0.859139851467  0.001369502847  -0.001475722356  -0.003367842030
  16  Al  4.262776089974  0.207989567740  0.031682295526  -0.216977353204  -0.700790763563  0.046274474313  0.007538374017  0.005352673579  0.002558431722
  17  Al  3.854677773703  1.852405907502  1.996648951943  0.439732051029  0.387229354711  0.227432869560  -0.004444669283  -0.004759639372  -0.000402668560
  18  Al  6.193336426481  7.926954483854  1.832983269686  -0.151010361352  0.875710113474  0.715048819348  0.002466447837  -0.003591700700  -0.004385966620
  19  Al  6.109198658118  2.178306072595  7.866011291524  0.002758144374  -0.818569169502  1.278113804312  0.000130692006  0.001520246331  -0.004071448995
  20  Al  4.087155864267  0.183423460950  4.069216439951  -0.212679565042  -0.500607254358  0.204331821650  -0.000111106476  0.003844417308  0.001125465090
  21  Al  4.105627297937  1.984391724326  6.148899535736  -0.156758532713  0.280632388612  -0.135544493242  0.001921688520  0.000070356206  0.003220671382
  22  Al  6.074784594718  0.061842399389  6.120856319282  -0.206368123634  -0.121000994170  -0.070358860752  -0.000653240711  0.003219066642  0.002295843282
  23  Al  6.217161100224  2.059417321633  4.032054822158  -0.203012114268  -0.019224106984  -0.051077293366  0.003795020730  0.001273331822  0.000432366105
  24  Al  4.114315850107  4.012332260423  0.174886320119  -0.153057548036  0.098673172802  -0.890744072291  0.002808317245  -0.001533183679  0.002013648227
  25  Al  4.000548233719  6.272990384574  2.189712793073  0.562319601081  -0.163835905361  -0.649061992208  0.000606244552  0.006322012798  0.003156442933
  26  Al  5.977339282000  4.207945230161  1.909717953281  0.575672901510  -0.611752337024  0.656090727557  -0.001605546043  0.004004086670  -0.001540010542
  27  Al  5.986307141756  6.142281149552  0.136834035829  -0.046457805789  -0.367691239336  -1.234913324262  -0.003506829630  0.000649172582  -0.000095398176
  28  Al  4.086908086634  4.144657463674  4.174990365430  -0.103446578575  -0.063903148501  -0.170426674341  0.000787924188  0.003486751209  0.003094201764
  29  Al  3.924466139874  6.127368923825  6.332944809979  0.364610267517  -0.067141447449  -0.201525965828  -0.001757269415  0.001458912582  0.008212967821
  30  Al  6.119613901243  3.896572043121  6.098307391849  -0.185829662061  1.052849802263  -0.612274928601  0.000869522904  -0.001418224222  -0.001286268657
  31  Al  6.227462623481  6.015660405481  4.002787266744  -0.410854537838  0.302760866872  0.112430736234  0.003618412103  -0.000763329265  -0.002264740669


MDSTEP:  79
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -57.058172774745  0.484052768249  3.158080490634
  0.484052768249  -58.443013883746  -0.364228226993
  3.158080490634  -0.364228226993  -47.244254367772
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.943401045290  8.042698372482  7.975588089834  0.570721200499  -0.006007658104  0.091112751290  -0.003030070264  -0.002071267504  -0.005374404181
  1  Al  8.043358179057  1.913811280418  1.837508221077  0.186360917934  0.342068013309  0.175565257656  -0.000422437201  -0.002479742698  -0.006680843053
  2  Al  1.915743640259  7.945586325830  1.957340413913  -0.051272409515  1.005366965579  0.360532658907  -0.004101512944  -0.001894096690  -0.000587523595
  3  Al  1.896641884263  1.956277252070  8.028991501033  0.023339588037  -0.026536637011  0.271136301352  -0.005052550855  -0.003025355741  -0.002977222674
  4  Al  0.067331116485  7.967948785028  4.268911389673  -0.002302223547  0.447198902549  -0.972871991309  0.003720936571  -0.003305881925  0.003295454572
  5  Al  0.024709052915  2.007511720544  6.156080267615  -0.093149695769  -0.079681530550  -0.487835433264  0.000770358837  -0.001348640949  0.000853492752
  6  Al  1.965959192364  0.008930031151  6.052874155986  0.347413803158  -0.166672133924  0.320117294411  -0.001473061219  0.001018799250  0.000623505575
  7  Al  2.001366480693  2.043321639365  4.164729582931  -0.035240977784  -0.163251023615  -0.414998580270  -0.001300503671  -0.000390523528  0.003117315671
  8  Al  8.016584197594  4.191802877909  7.886529074696  0.133763829466  -0.382171127776  0.628334412848  -0.003002552089  0.003254867587  -0.005121802586
  9  Al  0.049803173364  6.047755480012  2.025517537253  -0.297654681664  -0.006158534184  -0.048857456678  0.000809083959  -0.001154606238  0.000436594063
  10  Al  2.107162962753  3.917052287422  2.045275619416  -0.425183769916  0.208541807822  0.296693596176  0.000892572083  -0.002242617846  0.003229040691
  11  Al  2.044117053248  6.133428265845  0.219295921901  -0.040486256840  -0.328839756929  -0.780033623582  -0.000154791497  0.001302179952  0.006346909940
  12  Al  8.051826829950  4.104423219418  3.927287678554  0.372849338178  -0.459358884332  0.222632718773  0.000987826776  0.000317208681  -0.002904190020
  13  Al  0.007210093914  6.009333141945  5.937005950338  -0.098732944315  0.033554410134  0.567425572765  -0.000357083445  -0.002372646030  -0.002589319996
  14  Al  1.971043772938  3.950757102744  6.112953552680  0.070634305839  0.298033771664  -0.315034413489  -0.002429131357  -0.003684045165  -0.000648512033
  15  Al  2.145774870590  6.075215426247  3.879520392576  -0.548812322822  -0.277490617642  0.872267525881  0.001311273571  -0.001572576232  -0.003312910403
  16  Al  4.266535578173  0.210634579434  0.032963579840  -0.229133065547  -0.716922687581  0.039260918351  0.007731529290  0.005388341864  0.002645826800
  17  Al  3.852475094926  1.850043396829  1.996457783830  0.438753187752  0.395173017404  0.236189214797  -0.004501823495  -0.004835438876  -0.000372447064
  18  Al  6.194562900291  7.925197777431  1.830822248801  -0.142233239121  0.891581031949  0.734721001429  0.002516069305  -0.003540418445  -0.004388636824
  19  Al  6.109264127409  2.179029606013  7.864032698254  0.012866109575  -0.822865701736  1.299779036110  0.000136193843  0.001416188801  -0.003960356963
  20  Al  4.087090804329  0.185323292640  4.069788306055  -0.209897840768  -0.503837623406  0.210056218403  -0.000153511609  0.003871306302  0.001198639461
  21  Al  4.106581135146  1.984439446595  6.150503812637  -0.165428185876  0.282057070820  -0.147315842676  0.001951712116  0.000124410103  0.003294689622
  22  Al  6.074448749781  0.063446524009  6.122001095907  -0.210379077214  -0.130681651542  -0.086829969761  -0.000711956812  0.003295908895  0.002352703928
  23  Al  6.219049536021  2.060053128233  4.032268722074  -0.201162412799  -0.022261973057  -0.059663704069  0.003875706076  0.001309080185  0.000435595284
  24  Al  4.115713167112  4.011570079239  0.175853328293  -0.169094634790  0.103422422635  -0.895671279423  0.002865898564  -0.001562203083  0.001911560625
  25  Al  4.000876491478  6.276144067567  2.191262001703  0.567709453566  -0.162690934410  -0.654208896698  0.000729248736  0.006488389075  0.003134406073
  26  Al  5.976562241350  4.209919928387  1.908977275029  0.586748443872  -0.621622961489  0.670816570010  -0.001548293774  0.004014835588  -0.001465559645
  27  Al  5.984551650293  6.142589300176  0.136731136560  -0.046181808315  -0.371723109418  -1.248138949581  -0.003624353754  0.000601190033  -0.000327244799
  28  Al  4.087297424703  4.146397982831  4.176529848301  -0.104201625846  -0.065306776736  -0.170993889795  0.000793270682  0.003583201774  0.003158891654
  29  Al  3.923603803114  6.128095378917  6.337042285751  0.358508366559  -0.065839655081  -0.203921471803  -0.001745226265  0.001491994608  0.008430836254
  30  Al  6.120040356175  3.895909993018  6.097636889051  -0.186278569446  1.065153459038  -0.626963996773  0.000862245779  -0.001267067121  -0.001440473253
  31  Al  6.229253464482  6.015292274150  4.001659922023  -0.412842802542  0.307770105624  0.116698450011  0.003654938213  -0.000730774627  -0.002314003421


MDSTEP:  80
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -56.463065126698  0.535729534432  3.300483388314
  0.535729534432  -57.779944772194  -0.208606917241
  3.300483388314  -0.208606917241  -46.572093778132
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.941911521190  8.041662470190  7.972904960451  0.579485748282  -0.007898519333  0.099789316451  -0.002927242591  -0.002072510706  -0.005357337673
  1  Al  8.043155290723  1.912586699386  1.834175647254  0.180831794535  0.347424953196  0.179635758043  -0.000389610437  -0.002418102523  -0.006649088338
  2  Al  1.913690591929  7.944684217027  1.957062767795  -0.052432343670  1.020046140329  0.363880072961  -0.004110784074  -0.001713026216  -0.000522761618
  3  Al  1.894116652106  1.954763388022  8.027515009391  0.029461098397  -0.022326563217  0.282802949027  -0.005047830512  -0.003029724075  -0.002927700903
  4  Al  0.069191481862  7.966315833696  4.270515629932  -0.015565697730  0.454602819461  -0.981811531237  0.003719339192  -0.003225261500  0.003120707272
  5  Al  0.025090068576  2.006833838334  6.156485207923  -0.100825106168  -0.078227152446  -0.496010865393  0.000753017630  -0.001362757871  0.000765537601
  6  Al  1.965238191027  0.009431980591  6.053200217901  0.358265583225  -0.177445081636  0.326723537914  -0.001409973990  0.000988035418  0.000681332680
  7  Al  2.000714653599  2.043119080339  4.166269690479  -0.033777126603  -0.164050857606  -0.421365732115  -0.001306673840  -0.000419784081  0.003042545303
  8  Al  8.015088900744  4.193413228790  7.883996259726  0.142001355641  -0.386830423549  0.636504167940  -0.002977898879  0.003186119401  -0.005008726927
  9  Al  0.050194410286  6.047177901608  2.025733650374  -0.304874879766  -0.005351959474  -0.054024101866  0.000755218250  -0.001155635268  0.000427396526
  10  Al  2.107590243233  3.915940300242  2.046903401859  -0.426387751154  0.202421291336  0.287768419099  0.000816442202  -0.002205878041  0.003281291174
  11  Al  2.044037847778  6.134064656802  0.222434509649  -0.036029662554  -0.341080889873  -0.801026329757  -0.000161631965  0.001242289528  0.006205564318
  12  Al  8.052337409569  4.104561290582  3.925845535146  0.367677169395  -0.466912554297  0.223655111078  0.001054029313  0.000234400681  -0.002864292209
  13  Al  0.007027138864  6.008148318800  5.935736654059  -0.098202647135  0.035684372704  0.574423211136  -0.000374689346  -0.002366456132  -0.002487239536
  14  Al  1.969832364588  3.948928402164  6.112615214738  0.075179499516  0.309736893238  -0.310618451445  -0.002416095708  -0.003629710905  -0.000704444949
  15  Al  2.146405975663  6.074416734400  3.877902927419  -0.552758853211  -0.278953276593  0.886606705853  0.001212793901  -0.001622321916  -0.003155668312
  16  Al  4.270391100652  0.213296704180  0.034288248189  -0.240508082272  -0.732195884476  0.029517314110  0.007689543709  0.005258791707  0.002651975525
  17  Al  3.850243795289  1.847643341482  1.996282117871  0.439309812189  0.403548651763  0.241525634943  -0.004423325294  -0.004764033734  -0.000329739700
  18  Al  6.195814577169  7.923467421560  1.828660772154  -0.133178591498  0.907796459422  0.750919926612  0.002491447686  -0.003379555392  -0.004255821594
  19  Al  6.109332799441  2.179700918613  7.862110619428  0.023108659536  -0.826092196382  1.319411973909  0.000139409961  0.001268773151  -0.003726203172
  20  Al  4.087004666166  0.187236424431  4.070397015223  -0.205120110067  -0.505770599081  0.218271413413  -0.000190613915  0.003781048054  0.001236931643
  21  Al  4.107549596624  1.984514259496  6.152144572483  -0.173010651075  0.283526836496  -0.156008490178  0.001921455928  0.000174972897  0.003267572645
  22  Al  6.074083367506  0.065088637034  6.123173566602  -0.214388017009  -0.139558858532  -0.101073430917  -0.000749930684  0.003271749588  0.002335905499
  23  Al  6.220978397171  2.060706673223  4.032483852770  -0.199583163964  -0.025747875358  -0.066081186286  0.003839879710  0.001304788139  0.000424353782
  24  Al  4.117138557925  4.010793600642  0.176769072422  -0.184154852373  0.107169776349  -0.903018373548  0.002834318314  -0.001543376292  0.001750759064
  25  Al  4.001266492254  6.279380989878  2.192799961837  0.574121821172  -0.161363911021  -0.662172557098  0.000831327630  0.006459418805  0.003016722518
  26  Al  5.975814321908  4.211899559858  1.908274480466  0.597850488294  -0.632353657473  0.681619080906  -0.001442391482  0.003902730980  -0.001344652871
  27  Al  5.982737409106  6.142873279304  0.136511722798  -0.045503516953  -0.375785544520  -1.263024721140  -0.003632550356  0.000534363297  -0.000551741024
  28  Al  4.087689402269  4.148186664529  4.178101650763  -0.103197773038  -0.067863764492  -0.168823807676  0.000774729325  0.003571296424  0.003128512197
  29  Al  3.922747215177  6.128838433212  6.341248588662  0.353718262375  -0.064827597976  -0.203319336644  -0.001681553716  0.001480313049  0.008394429219
  30  Al  6.120463152480  3.895324071433  6.096888627360  -0.186850782439  1.075944097456  -0.637740345716  0.000828888284  -0.001075654540  -0.001553536911
  31  Al  6.231062479664  6.014940644049  4.000508136691  -0.414661683877  0.312734875586  0.123064667623  0.003580959907  -0.000675301928  -0.002292568770


