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)
  -83.336957338708  -0.000381560980  0.000091526173
  -0.000381560980  -83.337528203318  -0.001000840629
  0.000091526173  -0.001000840629  -83.333249835710
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.097783711899  8.099355498429  8.098995829026  0.006559393412  -0.000134747742  -0.004163577888  -0.004424485285  -0.001281510676  -0.002001209656
  1  Al  8.098949512342  2.023499414492  2.023008947464  0.006149621581  0.002978260344  -0.000036654954  -0.002092921032  -0.002999028634  -0.003980232220
  2  Al  2.023739017984  8.097951425702  2.023881463966  0.002544604590  0.000068649227  0.004159394740  -0.002519860417  -0.004089637946  -0.002234824094
  3  Al  2.023656185469  2.024375027668  8.099653553723  0.001571091137  -0.001172947761  -0.007780627516  -0.002685612480  -0.001248173396  -0.000686083623
  4  Al  0.000336337686  8.098419542192  4.053209214523  0.004486654348  0.001432916788  -0.009238585629  -0.000229600778  -0.000115526207  -0.000940137219
  5  Al  0.000288801365  2.024971590016  6.076215903197  -0.000811615101  -0.001504285753  -0.002800984816  0.000577530172  -0.000055078323  0.002437184372
  6  Al  2.024439888309  8.099643054998  6.074529725625  -0.002952271243  0.007076912400  0.002318588117  -0.001118611185  -0.000705752821  -0.000934713085
  7  Al  2.024851389563  2.025447606255  4.051224429264  -0.001496620717  -0.004078774624  0.001048114155  -0.000295478543  0.000896723999  0.002452704486
  8  Al  8.099135220992  4.051937704886  8.097240809218  0.000518988064  -0.005503664190  0.005561924054  -0.001722007107  0.003878670006  -0.005510379820
  9  Al  0.000627404404  6.074739352292  2.024783549288  0.000854277381  0.000388465599  0.002906928376  0.001254885181  -0.000515632303  -0.000430765418
  10  Al  2.026228138038  4.047679525522  2.024658778750  -0.002809936751  0.014439660679  0.004468385749  -0.000372042130  -0.004059884311  0.003840707884
  11  Al  2.025498093770  6.075660677257  0.002251169361  -0.005072829446  0.001598679074  0.004043328110  0.000997610162  0.001327125819  0.004502700193
  12  Al  8.098841373719  4.050725775900  4.048226133056  0.007398093976  0.001227453565  0.007208397171  0.002518818359  0.001034287581  0.010083841722
  13  Al  0.000177022426  6.074269230784  6.073124006661  0.001077588109  0.001538145361  0.005383064918  0.000354141187  -0.001455772538  -0.003745877051
  14  Al  2.024669485306  4.049232817319  6.075825824900  -0.004486393475  -0.004439541367  -0.002927325451  -0.000659554339  -0.001531009998  0.001657016483
  15  Al  2.026986480079  6.075309375769  4.047957981300  -0.008682794391  -0.002856136595  -0.001477392335  0.003974060051  0.000624124586  -0.004080417222
  16  Al  4.052321493574  0.002483393775  8.099877083162  -0.002268411918  -0.000749775762  0.005997490676  0.002136457832  0.004176749668  0.002611979263
  17  Al  4.047206551266  2.022828073610  2.024670162396  0.010333617326  0.003501860941  -0.001035720673  -0.005582221394  -0.004341663588  -0.000657891672
  18  Al  6.076869679113  8.097912229950  2.022514077710  -0.008572935386  -0.000529868953  0.002914064397  0.003744220197  -0.004168082958  -0.004969707936
  19  Al  6.075808520270  2.027431458463  8.096994516862  -0.007555265720  -0.007679005632  0.000566794030  0.001621993489  0.004864106557  -0.006003411093
  20  Al  4.050726688167  0.002650111085  4.050249316654  -0.002925563193  -0.008682758370  -0.001132404052  0.001456867047  0.005299445938  0.000502284328
  21  Al  4.050531097721  2.024245007768  6.075491783194  0.000870577050  0.002241368367  0.005626079468  0.001066025526  -0.001507907960  0.000989697740
  22  Al  6.075017844167  0.000164888402  6.075269237122  0.000841714350  0.007608896857  0.003236198018  -0.004377512096  0.003690278075  -0.004743864055
  23  Al  6.076926585312  2.025381617860  4.049277221962  -0.005827098052  -0.001394743021  0.008594759371  0.003858278070  0.000764987160  -0.001441035455
  24  Al  4.050454356828  4.049749511471  0.002707355282  0.002984602491  -0.001682015309  -0.008242006092  0.000912732734  -0.000497375173  0.005413973735
  25  Al  4.049112329185  6.077407531511  2.027282080785  0.001238098205  -0.004946095257  -0.005184845549  -0.001771478689  0.004820249230  0.004565574178
  26  Al  6.073746430789  4.051786307971  2.023333693674  -0.000398881301  0.001586945203  0.001821344871  -0.002501545697  0.003576510069  -0.003330573697
  27  Al  6.074031107264  6.076089231556  0.002193314799  0.001934125533  -0.003878498206  -0.004283880126  -0.001931984178  0.002183744762  0.004386246622
  28  Al  4.050513970294  4.051007449770  4.051840695044  -0.001474052524  -0.000903450215  -0.008941344208  0.001031561064  0.002018571029  0.003684342995
  29  Al  4.047864670841  6.075687536624  6.078191135905  0.012038916955  -0.001539109314  -0.007868056634  -0.004265829790  0.001380564037  0.006387196797
  30  Al  6.075573917837  4.047803682413  6.075436845917  -0.000779727720  0.002908322874  0.003701282137  0.001153394351  -0.004388622916  0.000879651110
  31  Al  6.077026659015  6.074090559934  4.049820375133  -0.005287567570  0.003078880793  -0.004442732434  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)
  -83.328033622440  -0.001369783993  -0.000825329955
  -0.001369783993  -83.329074791400  -0.001598124883
  -0.000825329955  -0.001598124883  -83.311409017526
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.095571762458  8.098714737068  8.097995038088  0.007948222888  0.000701225799  -0.003679976183  -0.004423188315  -0.001281460033  -0.002001910864
  1  Al  8.097903326712  2.022000033302  2.021018829716  0.010577886306  0.005048043261  0.002634051110  -0.002091425605  -0.002998311089  -0.003980000015
  2  Al  2.022479201519  8.095906609798  2.022764237842  0.008528792414  -0.004502149427  0.012474126126  -0.002518870464  -0.004090034298  -0.002233337069
  3  Al  2.022313449456  2.023750888540  8.099310164121  0.002771406379  0.000891469452  -0.018225296814  -0.002653314639  0.001865017821  0.004397039991
  4  Al  0.000221737849  8.098361843139  4.052738732952  0.010626553287  -0.000499207207  -0.011737302377  -0.000228249669  -0.000115442734  -0.000942012448
  5  Al  0.000577530172  2.024943983613  6.077434370180  -0.003677284448  0.004019534477  -0.005918808330  0.000687410048  -0.003630002904  0.005040538862
  6  Al  2.023880450751  8.099290494923  6.074062472722  -0.005381957160  0.016537043903  0.002169583994  -0.001119356259  -0.000703641750  -0.000934311846
  7  Al  2.024703583393  2.025895785934  4.052450828358  -0.002684855969  -0.007147518553  0.004141168787  -0.000295852364  0.000895720376  0.002453168404
  8  Al  8.098274240637  4.053876793877  8.094485867924  0.000514424482  -0.011467241978  0.002540337746  -0.001721914721  0.003877152819  -0.005509655484
  9  Al  0.001254885181  6.074481553505  2.024568296518  0.002319148775  0.002748457533  0.009381226122  0.001255168883  -0.000515351864  -0.000429666866
  10  Al  2.026041991370  4.045650228814  2.026579332428  -0.001787040209  0.029575185944  0.007248781852  -0.000372453096  -0.004055949416  0.003841755390
  11  Al  2.025996672098  6.076324311626  0.004502700193  -0.008607128971  0.001500739517  0.012341053377  0.000996387183  0.001327402904  0.004504164945
  12  Al  0.000104865847  4.051242974558  4.053268376130  0.008667750711  0.001864107815  0.000756560750  0.002520254634  0.001034563965  0.010084553783
  13  Al  0.000354141187  6.073541413270  6.071251308757  0.001391384978  -0.002374581153  0.009294006459  0.000354361911  -0.001455847315  -0.003744564931
  14  Al  2.024339507596  4.048467113874  6.076654202291  -0.010728156768  -0.011891287212  -0.005187499949  -0.000660914509  -0.001532469962  0.001656291023
  15  Al  2.028973121987  6.075621310394  4.045917706650  -0.016344841199  -0.004756209126  -0.007458958083  0.003971822599  0.000623444048  -0.004081216125
  16  Al  4.053389621093  0.004571735094  0.001187093135  -0.000744910948  -0.001113038720  0.011371255618  0.002136188443  0.004176583133  0.002613532016
  17  Al  4.044415902478  2.020657398348  2.024341170264  0.018936385294  0.000379955167  0.001054145930  -0.005579604677  -0.004341316556  -0.000657890024
  18  Al  6.078741406004  8.095828164786  2.020029354000  -0.020480642282  -0.003081806524  0.005192719034  0.003741622828  -0.004168405839  -0.004968983195
  19  Al  6.076619179296  2.029863168493  8.093992836651  -0.013706879263  -0.014928275493  -0.002702693947  0.001620092668  0.004862085482  -0.006003602041
  20  Al  4.051454990919  0.005299445938  4.050500408199  -0.008437071710  -0.016480688817  -0.014212225127  0.001455851236  0.005297196344  0.000500912529
  21  Al  4.051064149398  2.023491153976  6.075986883548  0.001650583623  0.010916039741  0.010396242862  0.001066250916  -0.001506731697  0.000991130124
  22  Al  6.072829125743  0.002010367554  6.072897449752  0.009663696592  0.015215388419  0.013760730520  -0.004376572920  0.003692318550  -0.004742344542
  23  Al  6.078855463878  2.025764049095  4.048557088417  -0.010005820201  0.000094799837  0.019491501567  0.003856862618  0.000764870946  -0.001438524564
  24  Al  4.050910856606  4.049500748698  0.005413973735  0.005057966731  -0.004230056217  -0.016589991311  0.000913451734  -0.000497903708  0.005411753772
  25  Al  4.048226645183  6.079817435037  2.029564636114  -0.000321369163  -0.001516925964  -0.007593177756  -0.001771396734  0.004819671440  0.004564431832
  26  Al  6.072495640110  4.053574633941  2.021668488239  0.002462614127  0.005124865230  0.005996379310  -0.002501361201  0.003577110100  -0.003329874798
  27  Al  6.073065201629  6.077180930569  0.004386246622  0.003096745243  -0.005972000409  -0.005930316414  -0.001931534422  0.002182864134  0.004385333480
  28  Al  4.051029684936  4.052016694901  4.053682466866  -0.004264852933  -0.002324861042  -0.010939645187  0.001031048010  0.002018282421  0.003682565648
  29  Al  4.045732294081  6.076377749844  6.081384382605  0.021577729236  -0.007600191464  -0.014701711915  -0.004262824486  0.001379746990  0.006385179076
  30  Al  6.076150580159  4.045609500956  6.075876836918  0.000527020427  0.000235356518  0.007314224794  0.001153371759  -0.004388341874  0.000880635888
  31  Al  6.079055659517  6.073184209310  4.049642229217  -0.009145500268  0.005033826693  -0.012680492563  0.004057183403  -0.001812251227  -0.000357425459


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)
  -83.312829563632  -0.002993604497  -0.001399915240
  -0.002993604497  -83.312583896319  -0.002457389751
  -0.001399915240  -0.002457389751  -83.270450610516
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.093360523584  8.098074038395  8.096993918162  0.009617138504  0.001139513425  -0.003780496067  -0.004421617984  -0.001281295473  -0.002002577825
  1  Al  8.096858086737  2.020501103403  2.019028947450  0.015085559550  0.006378370948  0.005048846948  -0.002089131311  -0.002997289575  -0.003979313169
  2  Al  2.021220147521  8.093861391404  2.021648126896  0.014022309813  -0.007512981168  0.020850860206  -0.002516854411  -0.004091108442  -0.002230357839
  3  Al  2.020986916017  2.024683437299  0.001511621708  0.004247570100  -0.000506692287  -0.033923131377  -0.002652687148  0.001865052220  0.004392377959
  4  Al  0.000108088018  8.098304099458  4.052267202075  0.015145889664  -0.002064926698  -0.013824459225  -0.000225945631  -0.000115671966  -0.000944297651
  5  Al  0.000921070823  2.023129161833  6.079954375042  -0.006845617954  0.012688924895  -0.011246334424  0.000686469308  -0.003628509179  0.005039004311
  6  Al  2.023320532050  8.098939413248  6.073595413779  -0.007088403437  0.024246856656  0.003489790044  -0.001120471100  -0.000699995699  -0.000933805902
  7  Al  2.024555537198  2.026343326631  4.053677597668  -0.003090536771  -0.010442830268  0.005665825900  -0.000296368680  0.000894147812  0.002454045142
  8  Al  8.097413306271  4.055814857705  8.091731153734  0.001115065689  -0.017478548546  -0.000204578473  -0.001721769045  0.003874565086  -0.005509446669
  9  Al  0.001882573287  6.074224000428  2.024353882422  0.004440879518  0.005259852646  0.015537369498  0.001255773224  -0.000514635927  -0.000427439162
  10  Al  2.025855684942  4.043623576106  2.028500534141  0.000205216009  0.043670004156  0.009807789422  0.004846251300  -0.004833252842  0.003575530165
  11  Al  2.026494480954  6.076988080161  0.006755334306  -0.012012205067  0.000480776138  0.018403918558  0.000994543830  0.001327580050  0.004506913523
  12  Al  0.001365380610  4.051760339865  4.058310686840  0.010575269347  0.002211356353  -0.004909868374  0.002521974946  0.001034928308  0.010084182481
  13  Al  0.000531384337  6.072813383469  6.069379441730  0.000287828131  -0.004151635921  0.015398488963  0.000354512032  -0.001456430754  -0.003742357440
  14  Al  2.024008570797  4.047700347357  6.077482115923  -0.015149870931  -0.017607981161  -0.005401776079  -0.000663227986  -0.001535107175  0.001655344350
  15  Al  2.030958302678  6.075932819817  4.043876765174  -0.022482761703  -0.006143737218  -0.010409633917  0.003968351439  0.000622469601  -0.004082813565
  16  Al  4.054457682017  0.006659976908  0.002494367435  0.000533675066  -0.001993318644  0.014497908420  0.002136169559  0.004176305427  0.002615844701
  17  Al  4.041626946589  2.018486757054  2.024012272372  0.027986231725  -0.000485499320  0.004096101134  -0.005575409829  -0.004341325992  -0.000657429596
  18  Al  6.080611301941  8.093743824111  2.017545094515  -0.031904653052  -0.003227568885  0.009552212593  0.003736939620  -0.004168969893  -0.004967665009
  19  Al  6.077428612938  2.032293543946  8.090990914821  -0.020238247833  -0.022768520336  -0.004425278358  0.001617057998  0.004858715416  -0.006004239276
  20  Al  4.052182539403  0.007947307430  4.050750229183  -0.012306049098  -0.025569866486  -0.024991161392  0.001453996816  0.005293437055  0.000497407774
  21  Al  4.051597348637  2.022738276071  6.076482913319  0.002645065689  0.019018889228  0.016218832884  0.001066634944  -0.001504055536  0.000993509493
  22  Al  6.070641271247  0.003857206951  6.070526892581  0.017492058757  0.019864147432  0.023791921629  -0.003919655428  0.008684150303  0.001947699798
  23  Al  6.080783447930  2.026146488806  4.047838697398  -0.015282100522  -0.001167584051  0.030232640219  0.003854601897  0.000764775039  -0.001434079261
  24  Al  4.051367808562  4.049251607762  0.008119109054  0.006520407644  -0.006568362909  -0.026052906492  0.000914486832  -0.000498869079  0.005407941528
  25  Al  4.047340932450  6.082227202951  2.031846512617  -0.002517614943  0.001483879270  -0.009970777896  -0.001771650537  0.004819668486  0.004562861627
  26  Al  6.071245069588  4.055363418071  2.020003818875  0.004192761998  0.006190471794  0.010023702494  -0.002500766215  0.003578121683  -0.003328442615
  27  Al  6.072099572842  6.078272095690  0.006578648278  0.004246865750  -0.007551910075  -0.013144654261  -0.001930877909  0.002181655106  0.004383628191
  28  Al  4.051545018304  4.053025732191  4.055523260692  -0.007262959222  -0.002788454326  -0.012412191299  0.001030017432  0.002017825294  0.003680478011
  29  Al  4.043601846355  6.077067283613  6.084576314981  0.032873949210  -0.013675139604  -0.022202879910  -0.004257956546  0.001377844990  0.006381879832
  30  Al  6.076727289596  4.043415340539  6.076317481805  -0.000029612111  0.000723909767  0.012111882970  -0.004810951977  -0.004993759700  -0.000860778886
  31  Al  6.081083842418  6.072278308707  4.049462949675  -0.015023109518  0.008348605195  -0.017827964337  0.004055022747  -0.001811054848  -0.000360152893


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)
  -83.289601098633  -0.002295584154  -0.001699586371
  -0.002295584154  -83.285660492108  -0.002939090219
  -0.001699586371  -0.002939090219  -83.213046683416
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.091150144474  8.097433441595  8.095992460262  0.011026867134  0.002213707510  -0.002101529555  -0.004419772425  -0.001280995697  -0.002003103674
  1  Al  8.095814195401  2.019002743726  2.017039516547  0.019455945898  0.006364560612  0.006041595954  -0.002086043325  -0.002996150367  -0.003978321692
  2  Al  2.019962347107  8.091815501356  2.020533880003  0.017764015295  -0.012829358657  0.028895048788  -0.002514012737  -0.004092927032  -0.002225910591
  3  Al  2.019660762308  2.025615940760  0.003706294336  0.004260221698  -0.002144579955  -0.047210356544  -0.002651926557  0.001864815198  0.004385124684
  4  Al  8.099992039962  8.098246171173  4.051794435301  0.019829244487  -0.003744535422  -0.016117339945  -0.000222818879  -0.000116191328  -0.000946974426
  5  Al  0.001263999480  2.021315474434  6.082473374490  -0.011014199524  0.019074741975  -0.015459181013  -0.001492023740  -0.002731517901  -0.000958670997
  6  Al  2.022759979650  8.098590499224  6.073128666820  -0.014154695475  0.032108216834  0.006112677142  -0.001122370218  -0.000694957596  -0.000932947448
  7  Al  2.024407214712  2.026789933746  4.054904873500  -0.004144703162  -0.011116967708  0.006954469345  -0.000297015505  0.000892220381  0.002455173388
  8  Al  8.096552471591  4.057751358963  8.088976421255  0.000514848618  -0.024560168045  -0.000994139993  -0.001721623332  0.003870806855  -0.005509553833
  9  Al  0.002510658405  6.073966917578  2.024140857356  0.008187203504  0.010178547023  0.021074839642  0.001256902166  -0.000513255745  -0.000424166056
  10  Al  2.028278819765  4.041208901718  2.030288737628  -0.004320817228  0.058673821358  0.012691911124  0.004845883368  -0.004824103378  0.003577541622
  11  Al  2.026991215928  6.077651891677  0.009009613716  -0.016467163440  0.001178875517  0.027725623267  0.000991997795  0.001327728422  0.004511037471
  12  Al  0.002626840794  4.052277902866  4.063352558611  0.014248860849  0.002162310571  -0.011559994132  0.002524194206  0.001035319311  0.010082710087
  13  Al  0.000708653218  6.072084982516  6.067508951318  -0.000699669801  -0.002873112968  0.021665047493  0.000354475213  -0.001457058761  -0.003739043986
  14  Al  2.023676279610  4.046932006699  6.078309546640  -0.017744074669  -0.023296680771  -0.009364529096  -0.000666168681  -0.001538764023  0.001654024253
  15  Al  2.032941473426  6.076243779994  4.041834893085  -0.029511733930  -0.009045874108  -0.015332259218  0.003963703168  0.000621111660  -0.004085114871
  16  Al  4.055525790652  0.008748040521  0.003802937836  0.002257575419  -0.002424338350  0.019497212509  0.001438114001  0.000784013453  0.004016324162
  17  Al  4.038840492649  2.016316072356  2.023683740668  0.037390070982  0.001774071993  0.006361779125  0.000559409521  0.002348613240  -0.002879478966
  18  Al  6.082478345625  8.091659194893  2.015061688991  -0.037800816935  -0.002935911994  0.011043081410  0.003730708001  -0.004169520903  -0.004965823804
  19  Al  6.078236237294  2.034721883909  8.087988597375  -0.025472092473  -0.030786319635  -0.004996955151  0.001612971527  0.004853927652  -0.006005081617
  20  Al  4.052908987735  0.010592882993  4.050997815974  -0.016509800036  -0.034574837174  -0.036081923244  0.001451420700  0.005288060162  0.000491947884
  21  Al  4.052130784343  2.021987098441  6.076980393041  0.004390007794  0.029834203217  0.022283452948  0.001067263875  -0.001499688104  0.000996951570
  22  Al  6.068682225422  0.008200170023  6.071501805970  0.026941355833  0.020028720094  0.026779765251  -0.003915683113  0.008687716697  0.001952220870
  23  Al  6.082710065774  2.026528824135  4.047123009156  -0.019714385932  -0.001301096039  0.041371424083  0.003851473236  0.000764554341  -0.001427677909
  24  Al  4.051825343438  4.049001879619  0.010821915263  0.009000940544  -0.009787503226  -0.033471504100  0.000915874430  -0.000500331282  0.005402620088
  25  Al  4.046454994645  6.084637103523  2.034127497740  -0.006351450693  0.002266133735  -0.012931856982  -0.001772443426  0.004820003734  0.004560814147
  26  Al  6.069994873895  4.057152755624  2.018340045624  0.004031425964  0.007029941366  0.014107790544  -0.002500030979  0.003579303579  -0.003326285276
  27  Al  6.071134323721  6.079362585676  0.008769874813  0.006363663791  -0.008048252668  -0.018387644100  -0.001929929335  0.002180260463  0.004380809226
  28  Al  4.052059702368  4.054034520195  4.057362944877  -0.012251055166  -0.003539267163  -0.014884200419  0.001028272893  0.002017259600  0.003678037733
  29  Al  4.041474337536  6.077755594835  6.087766262436  0.043474396270  -0.021439894936  -0.029640704746  0.001102081711  -0.000992717055  -0.000082675300
  30  Al  6.074321812284  4.040918493048  6.075887633759  0.006865030273  -0.000124770633  0.019681507535  -0.004810340896  -0.004993706137  -0.000857936580
  31  Al  6.083110682263  6.071373154462  4.049282076325  -0.019845015889  0.011685617647  -0.023753107922  0.004051905561  -0.001809263803  -0.000363870211


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)
  -83.262590718301  -0.006252663117  -0.001503621700
  -0.006252663117  -83.254400593009  -0.003014657358
  -0.001503621700  -0.003014657358  -83.148669708619
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.088940751159  8.096793042698  8.094990814488  0.012170167050  0.005417154858  -0.004553653860  -0.004417698627  -0.001280313504  -0.002003698643
  1  Al  8.094772043412  2.017504953036  2.015050625758  0.021311214209  0.004326614046  0.009603359454  -0.002082398770  -0.002995194583  -0.003976923044
  2  Al  2.018706134784  8.089768464372  2.019422216306  0.023670263542  -0.017573756503  0.037114658026  0.002432738368  0.002740582816  0.001039360129
  3  Al  2.018334989460  2.026548252497  0.005896746392  0.007241849748  -0.005789209137  -0.064134166503  -0.002650898280  0.001864105923  0.004375170564
  4  Al  8.099881516883  8.098187908130  4.051320227648  0.024786499254  -0.003525418699  -0.018636825399  -0.000218830263  -0.000116841256  -0.000950081424
  5  Al  0.000517495279  2.019950568117  6.081993347972  -0.012315976015  0.018963633128  -0.009705304715  -0.000705178312  0.001177236291  -0.002251650751
  6  Al  2.022198161831  8.098244455652  6.072662466331  -0.020025556292  0.039741467203  0.010936031731  -0.001125425908  -0.000688534286  -0.000931423306
  7  Al  2.024258521693  2.027235547012  4.056132771056  -0.001808252472  -0.012254503753  0.006868560110  -0.000297547695  0.000890130988  0.002456409156
  8  Al  8.095691682939  4.059685664560  8.086221599901  -0.001149317480  -0.032284811818  -0.004820675069  -0.001721680053  0.003865724955  -0.005510073673
  9  Al  0.003139475453  6.073710744683  2.023929716366  0.013891935456  0.017493557183  0.026568280395  0.001258876025  -0.000510781879  -0.000419906796
  10  Al  2.030701568310  4.038799472728  2.032078075763  -0.001869827396  0.075305706807  0.016829009241  0.004845329929  -0.004812125705  0.003580180771
  11  Al  2.027486478749  6.078315808583  0.011266371777  -0.014757722784  0.001961836593  0.033256608008  0.005641572524  0.001112837619  -0.002168650981
  12  Al  0.003889574816  4.052795659176  4.068393396927  0.017436016274  0.003873128480  -0.020084531520  0.002527026811  0.001035858875  0.010079881089
  13  Al  0.000885859550  6.071356324708  6.065640397744  -0.002483540256  -0.001351970902  0.028952562393  0.000354190637  -0.001457436481  -0.003734518808
  14  Al  2.023342402116  4.046161583334  6.079136140175  -0.013940719579  -0.026992803384  -0.012696447052  -0.000669001279  -0.001543259866  0.001652052017
  15  Al  2.034922005846  6.076553931477  4.039791650303  -0.033334883580  -0.013284423078  -0.021059685464  0.003958084726  0.000619115348  -0.004088368285
  16  Al  4.056244948565  0.009139938881  0.005811971436  0.004070332493  0.000457818410  0.019296416092  0.001438679712  0.000783837648  0.004019792284
  17  Al  4.039121868733  2.017490458277  2.022244285555  0.037770709461  -0.003188803955  0.010941598487  0.000566128840  0.002348486764  -0.002877932057
  18  Al  6.084342009942  8.089574303208  2.012579270711  -0.043126714846  -0.001758750682  0.012046189369  -0.002188975411  0.003951813505  -0.004045696874
  19  Al  6.079041584464  2.037147471597  8.084985833204  -0.031303855171  -0.039907863020  -0.008951464809  0.001607895798  0.004847607643  -0.006006328596
  20  Al  4.053633960103  0.013235367591  4.051242177067  -0.021989267721  -0.042173959861  -0.048991837976  0.001447978911  0.005281198874  0.000484342351
  21  Al  4.052664612512  2.021238587966  6.077479864888  0.007104522905  0.042581984455  0.029422746235  0.001068291478  -0.001493214149  0.001001574067
  22  Al  6.066725588134  0.012544923648  6.072479113451  0.037765373099  0.023312833269  0.033456955875  -0.003909898378  0.008691591400  0.001957605990
  23  Al  6.084634921166  2.026911043147  4.046411019489  -0.025246536517  -0.000346970099  0.051998950093  0.004270510629  -0.004457810998  -0.001936948584
  24  Al  4.052283682992  4.048751276480  0.013521729143  0.011302892455  -0.010084491067  -0.044008881301  0.000917689578  -0.000502107824  0.005395693398
  25  Al  4.045568489025  6.087047206686  2.036407326765  -0.010116582588  -0.001003105888  -0.015046531508  -0.001773915656  0.004820116648  0.004558312900
  26  Al  6.068745038609  4.058942721649  2.016677533599  -0.000105501381  0.008529589403  0.019558677297  -0.002499680004  0.003580694590  -0.003323275518
  27  Al  6.070169643507  6.080452356153  0.010959457505  0.005253741936  -0.008782616503  -0.025940074864  -0.001928890747  0.002178755795  0.004376846360
  28  Al  4.052573291197  4.055042991791  4.059201298426  -0.017091068835  -0.004298089680  -0.018852520179  0.001025649729  0.002016558946  0.003675021695
  29  Al  4.042027321681  6.077258277952  6.087723599857  0.043730875831  -0.028040090033  -0.024726133799  0.001109877800  -0.000997140530  -0.000087535656
  30  Al  6.071916948700  4.038421634402  6.075459545225  0.008934476222  -0.001846928074  0.027144973328  -0.004808928431  -0.004993882406  -0.000853750326
  31  Al  6.085135747979  6.070469044904  4.049099079464  -0.025775547020  0.012523242301  -0.031786842118  0.004047827116  -0.001807099548  -0.000368835442


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)
  -83.228465392913  -0.010723407237  0.002274038738
  -0.010723407237  -83.220512784539  -0.006646134104
  0.002274038738  -0.006646134104  -83.085773699606
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.086732445847  8.096153128091  8.093988761620  0.010992327294  0.008289801798  -0.007615882896  0.000358318269  -0.000836479785  -0.001844549379
  1  Al  8.093731796631  2.016007549143  2.013062593503  0.020798984245  0.007038563975  0.014917278578  -0.002078634149  -0.002994178544  -0.003974730916
  2  Al  2.019923562020  8.091137970239  2.019943555382  0.026397746906  -0.028555304436  0.043481422287  0.002437214412  0.002736458911  0.001046565361
  3  Al  2.017009864028  2.027480046683  0.008081464900  0.008016954312  -0.001956903832  -0.077791478326  -0.002649534154  0.001863413426  0.004362482513
  4  Al  8.099773209698  8.098129329917  4.050844353877  0.028041771822  -0.003001293352  -0.018656380649  -0.000214107454  -0.000117424740  -0.000953415410
  5  Al  0.000164355603  2.020540033930  6.080867088773  -0.013851357550  0.020924576912  -0.006755822002  -0.000707517653  0.001180802268  -0.002253122364
  6  Al  2.021634553742  8.097901964939  6.072197243514  -0.027874510542  0.040092485410  0.010028238921  -0.001129708140  -0.000681397188  -0.000929549115
  7  Al  2.024109667017  2.027680064734  4.057361282656  -0.005558304861  -0.012080397120  0.004391699194  -0.000298206260  0.000887955466  0.002457415816
  8  Al  8.094830791538  4.061617083918  8.083466347581  -0.002722864748  -0.041294599320  -0.012259646531  -0.001722026224  0.003859147008  -0.005511600642
  9  Al  0.003769534430  6.073456135700  2.023720950560  0.017784485971  0.025918918864  0.032356723096  0.001261707874  -0.000506900835  -0.000414638943
  10  Al  2.033124149693  4.036396776014  2.033868918399  -0.003573629411  0.087570411906  0.018794565438  0.004844843288  -0.004797564697  0.003583365493
  11  Al  2.030306605346  6.078872315086  0.010183532845  -0.019655991935  0.002892646692  0.042842489495  0.005638495962  0.001113271607  -0.002161847777
  12  Al  0.005153867605  4.053313761741  4.073432439700  0.021152927477  0.003043909522  -0.023477204517  0.002530476635  0.001036477253  0.010075986701
  13  Al  0.001062843855  6.070627546035  6.063774432509  -0.003601233766  -0.002887288903  0.033336751929  0.000353646662  -0.001457815468  -0.003728950188
  14  Al  2.023007278331  4.045388746832  6.079961598657  -0.018337474931  -0.027975012039  -0.015733691740  -0.000671886927  -0.001548173950  0.001649510383
  15  Al  2.036899558152  6.076862895342  4.037746524800  -0.039277512054  -0.015105501345  -0.019079607144  0.003951593230  0.000616577309  -0.004091956709
  16  Al  4.056964470363  0.009531878169  0.007822730120  0.009271799641  0.001134133994  0.022332617281  0.001439872489  0.000783979967  0.004023513890
  17  Al  4.039406621490  2.018664559120  2.020805808612  0.042422482705  -0.009162284030  0.013460988393  0.000573298054  0.002347382586  -0.002875750483
  18  Al  6.083245594488  8.091550131345  2.010556960734  -0.043988587107  -0.007310664655  0.013782002370  -0.002196763456  0.003951002706  -0.004043387852
  19  Al  6.079844133092  2.039569491552  8.081982268779  -0.034847530553  -0.045422336235  -0.004646584027  0.001601981911  0.004839979184  -0.006007544252
  20  Al  4.054356966646  0.015874081868  4.051482158325  -0.025018989501  -0.052254017314  -0.062698054598  0.001443776406  0.005272757081  0.000474357355
  21  Al  4.053199075820  2.020493884291  6.077981967108  0.009824245336  0.054767859651  0.035545364052  0.001069804897  -0.001484511143  0.001007382169
  22  Al  6.064772327044  0.016891761424  6.073459411960  0.049974321909  0.018674180727  0.035495112235  -0.003902054512  0.008695345009  0.001963770255
  23  Al  6.086769047970  2.024682122139  4.045444869531  -0.027274561443  0.006290654621  0.059915980295  0.004265815281  -0.004457279636  -0.001926943470
  24  Al  4.052743033016  4.048499771795  0.016217608660  0.014613134616  -0.009954566940  -0.052135069504  0.000920006452  -0.000503899301  0.005387098198
  25  Al  4.044681078989  6.089457220171  2.038685810640  -0.011244509229  0.000131543691  -0.018216218819  -0.001775825322  0.004820038731  0.004555339234
  26  Al  6.067495193891  4.060733450214  2.015016770106  -0.000989710137  0.004926180929  0.021577236176  -0.002499777915  0.003581897526  -0.003319597997
  27  Al  6.069205432974  6.081541341471  0.013146721173  0.003696286750  -0.009652787064  -0.036354108381  -0.001928090621  0.002177107684  0.004371277305
  28  Al  4.053085352097  4.056051079141  4.061037966572  -0.021763926905  -0.004674743088  -0.023550322367  0.001022176120  0.002015756781  0.003671230911
  29  Al  4.042584215336  6.076758454305  6.087678726780  0.045628216869  -0.029918193492  -0.021802586314  0.001117866438  -0.001002321959  -0.000091695291
  30  Al  6.069512883852  4.035924610642  6.075033883433  0.019769242950  0.000228624307  0.034626656224  -0.004806362340  -0.004994027081  -0.000848227987
  31  Al  6.087158509379  6.069566054914  4.048913240883  -0.028804234132  0.019281400168  -0.036112468148  0.004042947723  -0.001804256236  -0.000374905592


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)
  -83.188909605274  -0.017350582916  0.006650957611
  -0.017350582916  -83.176572301815  -0.010436777433
  0.006650957611  -0.010436777433  -83.009197562612
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.086912096335  8.095735258750  8.093066146503  0.005363401327  0.013152490487  -0.009144362080  -0.003239044746  -0.001703502159  0.000768218028
  1  Al  8.092693409263  2.014510774492  2.011075894841  0.021227622944  0.009669666773  0.020789053676  -0.002074877001  -0.002992684841  -0.003971538796
  2  Al  2.021143349196  8.092504923283  2.020468781666  0.033221916195  -0.036074978550  0.050614856501  -0.007072676917  -0.004356637851  -0.000306853881
  3  Al  2.015685455306  2.028411665923  0.010259228905  0.011920687509  0.000999605446  -0.089053664024  -0.002647751743  0.001863327844  0.004347566677
  4  Al  8.099667409429  8.098070483390  4.050366812239  0.032402929161  -0.000295546841  -0.020501064272  -0.000208703741  -0.000117719475  -0.000956916057
  5  Al  8.099806225370  2.021131370386  6.079740225608  -0.014974822864  0.022736777001  -0.004168957340  -0.000710094693  0.001184705562  -0.002254099031
  6  Al  2.021068453692  8.097563058465  6.071732917215  -0.032220585045  0.042025285908  0.009016814195  -0.001135080598  -0.000674055918  -0.000927846501
  7  Al  2.023960315433  2.028123502478  4.058590186872  -0.006313393117  -0.013670280763  -0.000782979602  -0.000299267582  0.000885653374  0.002457738432
  8  Al  8.093969656715  4.063544811568  8.080709999259  -0.003431863567  -0.052754516576  -0.017719845125  -0.001722576452  0.003850739085  -0.005514280787
  9  Al  0.004401183327  6.073203843849  2.023515077423  0.021967444604  0.034199671204  0.039078277992  0.001265261668  -0.000501526276  -0.000408252705
  10  Al  2.035546411597  4.034001908031  2.035661441256  -0.002619555622  0.096846851604  0.020352115680  0.004844289621  -0.004781077926  0.003586865178
  11  Al  2.033124974711  6.079429080190  0.009104524000  -0.020687167580  0.004676936269  0.052994494602  0.005634889313  0.001113948322  -0.002153280019
  12  Al  0.006420051450  4.053832136429  4.078469383628  0.022478082829  0.000152562014  -0.028926439750  0.002534377216  0.001036763015  0.010071301853
  13  Al  0.001239506212  6.069898509241  6.061911447556  -0.003627844653  -0.004176091350  0.036835245376  0.000353000388  -0.001458446929  -0.003722676862
  14  Al  2.022670515189  4.044613409384  6.080785650559  -0.019579510571  -0.030481914641  -0.018032111655  -0.000675276678  -0.001553399957  0.001646491745
  15  Al  2.038873599076  6.077170508786  4.035699693594  -0.042241428900  -0.015222572552  -0.018247443876  0.003944305495  0.000613866001  -0.004095293720
  16  Al  4.057684821054  0.009923918848  0.009835485325  0.011444141165  0.003927139526  0.027158205754  0.001441724479  0.000784432442  0.004027938334
  17  Al  4.039695166787  2.019837840862  2.019368535072  0.045581211160  -0.016510168109  0.017123223488  0.000581165521  0.002345087487  -0.002873016276
  18  Al  6.082145246486  8.093525305914  2.008535882859  -0.047535164356  -0.010018420278  0.016854679092  -0.002204945614  0.003949453498  -0.004040648955
  19  Al  6.080643566376  2.041987450782  8.078978288953  -0.039852761298  -0.050945118085  0.002051847922  0.001595303759  0.004831364003  -0.006007776219
  20  Al  4.055077736509  0.018508124672  4.051716534422  -0.028818511884  -0.060462148879  -0.078869509466  0.003502876401  -0.002439988814  0.003420252770
  21  Al  4.053734417409  2.019754076823  6.078487247057  0.011421634695  0.066486341063  0.041140614282  0.001071704264  -0.001473671105  0.001014237840
  22  Al  6.062823533622  0.021240268657  6.074442883706  0.060497202482  0.016035487677  0.036478015145  -0.003892178437  0.008698448029  0.001970204601
  23  Al  6.088900736447  2.022453763510  4.044484076019  -0.031011670256  0.013537276008  0.065704774244  0.004260604533  -0.004455507034  -0.001915713064
  24  Al  4.053203689444  4.048247377179  0.018908827340  0.017077426881  -0.011824924266  -0.058700796994  0.000922839565  -0.000505846372  0.005377189551
  25  Al  4.043792663703  6.091867245417  2.040962665998  -0.012832096596  0.002306360994  -0.020791029990  -0.001777977753  0.004820256678  0.004551852014
  26  Al  6.066245260694  4.062524619175  2.013357935602  -0.003398098566  -0.000997805476  0.025474055831  -0.002500170182  0.003582248720  -0.003315391646
  27  Al  6.068241552886  6.082629463837  0.015330734810  0.000211040280  -0.010368354112  -0.044790824280  -0.001927741309  0.002175317808  0.004364023006
  28  Al  4.053595467317  4.057058748572  4.062872529337  -0.026662058360  -0.007282011183  -0.030343960646  0.001017846872  0.002014687856  0.003666412801
  29  Al  4.043145188120  6.076255955993  6.087631904567  0.045693218766  -0.030864380960  -0.018968869177  0.001126030509  -0.001007755877  -0.000095340229
  30  Al  6.067110586361  4.033427607321  6.074611317238  0.029045323902  -0.000006154143  0.039933668555  -0.004801998352  -0.004994007192  -0.000841562347
  31  Al  6.089178695702  6.068664788668  4.048724173872  -0.033746750664  0.025202934788  -0.042558084058  -0.003077746303  0.003780720522  0.003715733727


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)
  -83.137811877080  -0.014743612296  0.006717577440
  -0.014743612296  -83.123346760983  -0.006077548783
  0.006717577440  -0.006077548783  -82.930639321816
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.085292813704  8.094884095582  8.093449846767  0.000620068862  0.024047790710  -0.014471655696  -0.003238509828  -0.001700176481  0.000766106773
  1  Al  8.091656919630  2.013014864302  2.009091054707  0.019155996123  0.009284024084  0.023929352192  -0.002071266734  -0.002990990394  -0.003967541003
  2  Al  2.017608495745  8.090324991819  2.020317617192  0.047412072143  -0.037269453125  0.060511833407  -0.007065468296  -0.004363194791  -0.000296919235
  3  Al  2.014362112285  2.029343374527  0.012429031577  0.011884867205  0.003140393022  -0.102980218570  -0.002645623544  0.001863697957  0.004330398987
  4  Al  8.099564505957  8.098011610442  4.049887437820  0.032020785771  0.000960448288  -0.023189508055  -0.000202944308  -0.000117660033  -0.000960821963
  5  Al  8.099450508654  2.021724739492  6.078612989742  -0.021236588384  0.019028613319  0.003779425804  -0.000713331967  0.001188439357  -0.002254133855
  6  Al  2.020499473144  8.097227909021  6.071269397013  -0.037141384917  0.041394850824  0.009188700387  -0.001141281508  -0.000666598218  -0.000926218941
  7  Al  2.023810399436  2.028565718108  4.059819021089  -0.008952438392  -0.015996134117  -0.006188099787  -0.000300632336  0.000883001218  0.002457115223
  8  Al  8.093108215086  4.065467823003  8.077952066794  -0.005339567910  -0.062288748253  -0.022304449867  -0.001723360611  0.003840454300  -0.005517858930
  9  Al  0.005034796098  6.072954609424  2.023312697855  0.023962694979  0.040380276931  0.047939825498  0.001269367790  -0.000494858882  -0.000400473349
  10  Al  2.037968439315  4.031615698088  2.037455783577  -0.004748894305  0.112243218551  0.021824477756  0.004843630887  -0.004762385424  0.003590635735
  11  Al  2.035941494658  6.079986263408  0.008030252826  -0.021618927195  -0.000232645246  0.061875301511  0.005631107178  0.001114345638  -0.002143010742
  12  Al  0.007688244821  4.054350524756  4.083503741553  0.023169004765  0.000412376560  -0.037915392932  0.002538458033  0.001036813520  0.010065326241
  13  Al  0.001415844243  6.069169099106  6.060051755647  -0.005431244257  -0.004863590169  0.041722561768  -0.004190282150  0.002344317037  0.004411288250
  14  Al  2.022332001653  4.043835346875  6.081608090402  -0.013763900087  -0.028378825380  -0.017449918008  -0.000678257555  -0.001558662065  0.001643319677
  15  Al  2.040843863647  6.077476761343  4.033651231079  -0.042795346259  -0.018613353443  -0.016731041043  0.003936703269  0.000610841093  -0.004098420772
  16  Al  4.058406194842  0.010316310610  0.011850668454  0.014070383734  0.002828144206  0.027129538336  0.001444005459  0.000785036359  0.004032791619
  17  Al  4.039987787011  2.021009646607  2.017932792335  0.046830350875  -0.025653849893  0.023162895918  0.000589427048  0.002341318054  -0.002869414726
  18  Al  6.081040648874  8.095499584843  2.006516311780  -0.044825413239  -0.014722040421  0.021536073617  -0.002213202583  0.003947241719  -0.004037216849
  19  Al  6.081439436851  2.044400855555  8.075974492560  -0.036434378569  -0.059543694411  0.005531705055  0.001588483744  0.004821486383  -0.006007098255
  20  Al  4.056827886533  0.017285427629  4.053423135369  -0.035666052474  -0.062895210468  -0.094889375426  0.003497111527  -0.002451016873  0.003404718851
  21  Al  4.054270780084  2.019020213186  6.078996204948  0.013271422861  0.077995417251  0.047268739036  0.001073911805  -0.001460754540  0.001022141573
  22  Al  6.060880148607  0.025590209452  6.075429616560  0.071677389237  0.015682305388  0.038695539889  -0.003880362124  0.008701283577  0.001976925062
  23  Al  6.091029652503  2.020226615105  4.043529156467  -0.032670065335  0.016112061009  0.074362889958  0.004254911432  -0.004452856404  -0.001903191116
  24  Al  4.053665872582  4.047993925423  0.021594798211  0.014730544817  -0.008168458052  -0.071662278159  0.000925683175  -0.000507633766  0.005365535186
  25  Al  4.042903101236  6.094277476849  2.043237662654  -0.017294726642  0.000995737538  -0.021258063772  -0.001780671070  0.004820551883  0.004548092855
  26  Al  6.064995023709  4.064315698933  2.011701378460  -0.002945526387  -0.003389987271  0.030691082382  -0.002500737297  0.003581856454  -0.003310370523
  27  Al  6.067277691665  6.083716659279  0.017510744179  -0.003706821999  -0.012053045902  -0.055569784282  -0.001928053829  0.002173313351  0.004355050840
  28  Al  4.054103198969  4.058065766997  4.064704379373  -0.033869366009  -0.001811295983  -0.033070900914  0.001012435406  0.002013874921  0.003660743558
  29  Al  4.043710245845  6.075750698428  6.087583386551  0.043028703037  -0.036662968450  -0.015866749578  0.001253898293  0.002013621275  -0.001333166495
  30  Al  6.064710885500  4.030930603450  6.074192321085  0.037306698371  0.004138700982  0.047596916036  -0.004796066529  -0.004993637746  -0.000833737176
  31  Al  6.087638314083  6.070556275491  4.050580138405  -0.030700340421  0.023898941923  -0.053199422461  -0.003083507826  0.003785110195  0.003707173075


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)
  -83.082505851462  -0.012130331874  0.006038930377
  -0.012130331874  -83.058344303005  -0.001747002398
  0.006038930377  -0.001747002398  -82.847821753637
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.083673586507  8.094035082269  8.093832253276  -0.004305782432  0.037948838823  -0.018572750998  -0.003238839328  -0.001694634027  0.000763152627
  1  Al  8.090622142529  2.011519784098  2.007108353839  0.020645994243  0.008257670739  0.026300160118  -0.002067708465  -0.002989422179  -0.003963050521
  2  Al  2.014077880900  8.088141728492  2.020171862431  0.057574133367  -0.036799970193  0.070401695561  -0.007056082605  -0.004369816544  -0.000285215660
  3  Al  2.013039831762  2.030275363880  0.014589627892  0.007763051170  0.005737920418  -0.114722648729  -0.002643867034  0.001864491672  0.004310936507
  4  Al  8.099464465121  8.097952823357  4.049405990276  0.031827529948  0.005511978938  -0.024812456997  -0.000197236314  -0.000117081403  -0.000965113304
  5  Al  8.099092893403  2.022319809743  6.077486091753  -0.027990209335  0.013136295301  0.013469607306  -0.000717732807  0.001191314877  -0.002252591804
  6  Al  2.019927172183  8.096896460247  6.070806698274  -0.042700433168  0.043518059731  0.008196862657  -0.001148419309  -0.000659007065  -0.000924664685
  7  Al  2.023659683097  2.029006503695  4.061047302095  -0.010795253540  -0.018504714466  -0.011945580201  -0.000302397765  0.000879916866  0.002455494085
  8  Al  8.092246296104  4.067385265868  8.075192140329  -0.005841918183  -0.073432908460  -0.023873540576  -0.001724360228  0.003828320881  -0.005521987209
  9  Al  0.005670551117  6.072708984966  2.023114604073  0.027250125164  0.045658111605  0.053741620847  0.001273946179  -0.000487167112  -0.000391383101
  10  Al  2.040390042484  4.029239522607  2.039252076991  -0.007549097445  0.126806446995  0.023147088159  0.004842531456  -0.004741014556  0.003594656161
  11  Al  2.038756081889  6.080543425828  0.006961513258  -0.023728767151  -0.005969462023  0.072912877772  0.005627053127  0.001113791175  -0.002130960776
  12  Al  0.008958509483  4.054868949949  4.088534709869  0.025865587442  0.000223978956  -0.047091381725  0.002542841690  0.001036870410  0.010057726697
  13  Al  8.099316708137  6.070341040224  6.062259264755  -0.002082013194  -0.008536611977  0.037235274002  -0.004190953829  0.002343119068  0.004418347024
  14  Al  2.021992257634  4.043054747320  6.082428970235  -0.006916782681  -0.026958230622  -0.017068833541  0.003549415151  -0.001560879232  0.000236031972
  15  Al  2.042810302345  6.077781349879  4.031601272822  -0.041612607939  -0.022489661324  -0.015622995031  0.003929157259  0.000607166514  -0.004101313199
  16  Al  4.059128826513  0.010708955207  0.013868276944  0.017399692365  0.001898282251  0.026061375483  0.001446818861  0.000785458898  0.004037546848
  17  Al  4.040284593835  2.022179158916  2.016499120345  0.046754019733  -0.033998838792  0.029750455537  0.000597793424  0.002335985147  -0.002864684311
  18  Al  6.079932043903  8.097472547633  2.004498666010  -0.040816017901  -0.018267907610  0.026337482886  -0.002220858865  0.003944292441  -0.004032936988
  19  Al  6.082232050120  2.046808937165  8.072971190698  -0.029999351572  -0.068961046812  0.008014416581  0.001582544616  0.004809998152  -0.006005887241
  20  Al  4.058574848037  0.016057107799  4.055121253273  -0.041527898463  -0.063908709262  -0.107031170952  0.003490210444  -0.002462353052  0.003386667299
  21  Al  4.054808329215  2.018293322283  6.079509388630  0.015699334240  0.088850529237  0.047722511563  0.001076501770  -0.001445838632  0.001030633722
  22  Al  6.058943171498  0.029941552234  6.076419808768  0.081995404977  0.018115158503  0.039771566610  -0.003866623887  0.008704305045  0.001983939965
  23  Al  6.093155647879  2.018000907106  4.042580884903  -0.036168933696  0.016790257579  0.086201176997  0.004248757275  -0.004449914961  -0.001888836804
  24  Al  4.054129372619  4.047739743413  0.024274362526  0.011532609738  -0.002770057957  -0.083252764447  0.000928031082  -0.000508611662  0.005351685893
  25  Al  4.042011992633  6.096687797300  2.045510758853  -0.023035523667  -0.003106041121  -0.019731495001  -0.001784276565  0.004820363224  0.004544428418
  26  Al  6.063744523397  4.066106475629  2.010047565079  -0.002994613617  -0.004890283742  0.035212772123  -0.002501268342  0.003581116204  -0.003304478766
  27  Al  6.066313499057  6.084802777188  0.019685785650  -0.007386896465  -0.013132230525  -0.065804175295  -0.001929045600  0.002171061805  0.004344200096
  28  Al  4.054607902723  4.059072623493  4.066533272895  -0.042176822883  0.003243809777  -0.035166176384  0.001005636931  0.002014002987  0.003654643212
  29  Al  4.044339118359  6.076755870244  6.086916094065  0.041773594788  -0.045700587715  -0.012977333140  0.001261479557  0.002006258032  -0.001335745135
  30  Al  6.062314519831  4.028433969575  6.073777580062  0.043352113620  0.007067443852  0.054888016096  -0.004788855690  -0.004992635924  -0.000824575097
  31  Al  6.086095187876  6.072449898863  4.052431346947  -0.031804267463  0.024662479897  -0.061691657282  0.002381533099  -0.001141521723  0.002984619445


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)
  -83.010392485817  -0.015596286181  0.006497098966
  -0.015596286181  -82.976332506641  -0.000906198364
  0.006497098966  -0.000906198364  -82.756777434578
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.082053974377  8.093189461555  8.094212999395  -0.007380135616  0.047970952699  -0.023045309856  -0.003239884040  -0.001686952859  0.000759432002
  1  Al  8.089589211165  2.010025442123  2.005128004186  0.023267324962  0.007376367076  0.028425527681  -0.002063782646  -0.002988024508  -0.003958158083
  2  Al  2.010552413140  8.085955175275  2.020032401532  0.066684100421  -0.035956578689  0.076444783866  -0.007044974009  -0.004376320927  -0.000272087690
  3  Al  2.011718245251  2.031207866199  0.016739968084  0.004796466377  0.006400132663  -0.126077061542  -0.002642744222  0.001865576805  0.004289409186
  4  Al  8.099367269643  8.097894529039  4.048922324516  0.033601011782  0.008258985973  -0.026788659985  -0.000804745183  0.000677705685  0.003457185484
  5  Al  8.098732775847  2.022916054369  6.076360397938  -0.032971333554  0.006775866805  0.023152565119  -0.000723182725  0.001193095010  -0.002249317808
  6  Al  2.019351053835  8.096568901956  6.070344732328  -0.048272329949  0.045180521112  0.010859195833  -0.001156552209  -0.000651077475  -0.000922961087
  7  Al  2.023508001670  2.029445634975  4.062274515174  -0.011120175243  -0.021111788818  -0.017919991668  -0.000304356989  0.000876375180  0.002452824124
  8  Al  8.091383854858  4.069296143884  8.072430079585  -0.007664334930  -0.081950969114  -0.024930811900  -0.001725567678  0.003814429675  -0.005526350283
  9  Al  0.006308742277  6.072467442311  2.022921314754  0.030325411518  0.051242351421  0.056700198347  0.001279093390  -0.000478504281  -0.000381509682
  10  Al  2.042810970770  4.026874683531  2.041050439738  -0.009640205352  0.140068951868  0.024411507949  0.004840994744  -0.004717156088  0.003598907865
  11  Al  2.041568547786  6.081100054583  0.005899292050  -0.026531367887  -0.007344265409  0.083599753730  0.005622559907  0.001112600937  -0.002116968659
  12  Al  0.010231086510  4.055387395166  4.093561468250  0.028576205116  0.000005216509  -0.056455938240  0.002547708747  0.001036890900  0.010048469641
  13  Al  8.097221138157  6.071512218175  6.064470102670  0.000476315305  -0.010743152782  0.036771581193  0.004300139036  0.000223361785  0.000522137153
  14  Al  2.023766656032  4.042273102681  6.082546223251  -0.005600031459  -0.026504934808  -0.014888338946  0.001731657849  0.005007961450  0.003323555817
  15  Al  2.044773020906  6.078083927856  4.029549917880  -0.042561688955  -0.026573536134  -0.014866714826  0.000970758169  0.000416524094  0.000916006427
  16  Al  4.059853013704  0.011101769509  0.015888215302  0.021271033362  0.000885439387  0.024117600144  0.001450275996  0.000785707761  0.004042032813
  17  Al  4.040585580435  2.023345631754  2.015068108025  0.048251793700  -0.040922257063  0.034540477087  0.000606286875  0.002329287255  -0.002858936748
  18  Al  6.078819790009  8.099443877284  2.002483374792  -0.038267033946  -0.023476810462  0.028222445641  -0.002227928833  0.003940560494  -0.004028059369
  19  Al  6.083021981468  2.049210853707  8.069968605319  -0.028106466692  -0.078718223802  0.011606788382  0.001577349998  0.004796795731  -0.006004133120
  20  Al  4.060318096976  0.014823074577  4.056809802668  -0.046894328513  -0.063384030482  -0.119263787449  0.003482305560  -0.002473732932  0.003366436693
  21  Al  4.055347281854  2.017574374554  6.080026838670  0.018643966357  0.099467271010  0.050177504333  0.001079572036  -0.001429003157  0.001039385913
  22  Al  6.057013524720  0.034294514498  6.077413556526  0.092331811436  0.017608542098  0.044761665924  -0.003851039159  0.008707498719  0.001991497176
  23  Al  6.095278409778  2.015776700144  4.041640319663  -0.041358757865  0.020998306513  0.096778850200  0.004241826355  -0.004446536690  -0.001872478521
  24  Al  4.054593903664  4.047485313762  0.026946484104  0.012359275912  0.001181251864  -0.093826635563  0.000930167000  -0.000508753700  0.005335855122
  25  Al  4.041118824671  6.099097840073  2.047782091072  -0.025701363941  -0.008304822450  -0.021251187857  -0.001788633608  0.004819343101  0.004540764596
  26  Al  6.062493755368  4.067896815137  2.008396899694  -0.004081261252  -0.006532265882  0.038380845911  -0.002501900920  0.003580095036  -0.003297899549
  27  Al  6.065348646065  6.085887721084  0.021854944275  -0.010584612624  -0.014168171819  -0.076491484895  -0.001930652240  0.002168621169  0.004331478966
  28  Al  4.055108835900  4.060079769983  4.068359022585  -0.047494600517  0.005788198491  -0.038839284444  0.000997620371  0.002014810442  0.003648027177
  29  Al  4.044971725402  6.077756956460  6.086247641415  0.043597485777  -0.053455669277  -0.007030499353  0.001269111671  0.001997393534  -0.001337533821
  30  Al  6.059922029810  4.025937967525  6.073367745988  0.048398629745  0.011201844192  0.062840821017  -0.004780653239  -0.004991002663  -0.000814050224
  31  Al  6.087284532786  6.071880240405  4.053920899075  -0.038350803476  0.028737277311  -0.070116405833  0.002375261286  -0.001136747823  0.002972835899


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)
  -82.927406039533  -0.014580107532  0.009100146915
  -0.014580107532  -82.880628779997  0.003031059518
  0.009100146915  0.003031059518  -82.658443414644
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.080433702467  8.092348129410  8.094591685279  -0.009930764183  0.057317832467  -0.030746864488  -0.003241431622  -0.001677540117  0.000754623021
  1  Al  8.088558359883  2.008531759590  2.003150195755  0.016549470693  0.008373574714  0.035072769818  -0.002060223053  -0.002986616474  -0.003952481381
  2  Al  2.007032906891  8.083765407565  2.019899774741  0.078220424830  -0.037851333433  0.086377990875  -0.007032019648  -0.004382919301  -0.000257531451
  3  Al  2.010397087540  2.032140940685  0.018879037078  0.006363982406  0.009223067564  -0.140509498431  -0.002641746486  0.001866973508  0.004265576539
  4  Al  8.098966399005  8.098233751055  4.050649719814  0.035029755528  0.007984356858  -0.032457297731  -0.000798609642  0.000679157828  0.003451888938
  5  Al  8.098369710678  2.023512904753  6.075236773945  -0.037942716341  0.002299836772  0.030613181499  -0.000729522390  0.001193906372  -0.002244511189
  6  Al  2.018770619975  8.096245382771  6.069883737187  -0.052778403662  0.040884489553  0.012841134774  -0.001165586072  -0.000643383325  -0.000920842294
  7  Al  2.023355326108  2.029882878875  4.063500126219  -0.012568107008  -0.022315011991  -0.020966667693  -0.000306474704  0.000872492855  0.002449347685
  8  Al  8.090520728426  4.071199695543  8.069665790045  -0.009431349997  -0.090709884352  -0.027925406338  -0.001727096020  0.003798993919  -0.005531075591
  9  Al  0.006949644507  6.072230480686  2.022733094391  0.034779734554  0.056568136081  0.066584206532  0.001284913744  -0.000468866101  -0.000370488145
  10  Al  2.045231037228  4.024522366519  2.042850984856  -0.010831296676  0.155524489904  0.028280946434  0.004839164607  -0.004690730247  0.003603618533
  11  Al  2.044378641797  6.081656026765  0.004844544599  -0.027007887521  -0.008155491726  0.087975312267  0.005617773536  0.001111215270  -0.002101629972
  12  Al  0.011506218230  4.055905840849  4.098583179510  0.029989731628  -0.000052135563  -0.065088757474  0.002552944499  0.001036886706  0.010037603633
  13  Al  8.099371228966  6.071623418852  6.064732814923  -0.001484032837  -0.010181979871  0.036768078598  0.001226672013  -0.001400340978  0.002873665080
  14  Al  2.024632234637  4.044775898645  6.084207335656  -0.001389101897  -0.030193012806  -0.016686131777  0.001731033026  0.005002892695  0.003320733082
  15  Al  2.045256497498  6.078291002076  4.030007256557  -0.040992876532  -0.029151373091  -0.015371991312  0.000963288451  0.000411542327  0.000913303108
  16  Al  4.060579102509  0.011494662968  0.017910309757  0.021974584235  0.000783484142  0.021442911715  0.000016481074  0.003001790561  -0.001835003444
  17  Al  4.040890880710  2.024508446171  2.013640183598  0.054137900542  -0.045996289939  0.040325580363  0.000615440440  0.002321516799  -0.002852243776
  18  Al  6.077704115069  0.001416860382  2.000470606640  -0.034855021858  -0.023690466952  0.033904806500  -0.002234465893  0.003936343773  -0.004022505238
  19  Al  6.083809400117  2.051605732896  8.066967057578  -0.027093495113  -0.086809073420  0.018202420874  0.001572415161  0.004781997710  -0.006001468198
  20  Al  4.062057153597  0.013583374868  4.058487689966  -0.053400168043  -0.064614815175  -0.130921640352  0.003473339304  -0.002485175936  0.003344070296
  21  Al  4.055887901251  2.016864319127  6.080548774543  0.020487468777  0.110645120993  0.056230665738  0.001083070359  -0.001410219260  0.001048898727
  22  Al  6.055092132339  0.038649050953  6.078411305944  0.104236358486  0.017835447584  0.046851496908  -0.003833466106  0.008710667386  0.001999687326
  23  Al  6.097397474234  2.013554370416  4.040708406382  -0.043395628440  0.026336558302  0.101111201002  0.004234249374  -0.004442304987  -0.001854787293
  24  Al  4.055059539619  4.047230989714  0.029610217648  0.010317511745  0.002571308730  -0.106880861916  0.000932194288  -0.000508418223  0.005317912016
  25  Al  4.040223359025  6.101507140400  2.050051523449  -0.031546702078  -0.011712613946  -0.020087044559  -0.001793751544  0.004817553556  0.004537068987
  26  Al  6.061242622477  4.069686570665  2.006749665529  -0.003855392428  -0.016791496872  0.045923708796  -0.002502610451  0.003578009909  -0.003290362783
  27  Al  6.064382846817  6.086971398357  0.024017264616  -0.013679555561  -0.014963330647  -0.088547481241  -0.001932821439  0.002166016834  0.004316724601
  28  Al  4.055605523094  4.061087433935  4.070181300072  -0.054193544387  0.008959298150  -0.043572854133  0.000988529524  0.002016128857  0.003640659592
  29  Al  4.045608230029  6.078753263778  6.085578560244  0.037408326937  -0.059989891221  -0.001171898617  0.001276353532  0.001987251583  -0.001338267110
  30  Al  6.057533866592  4.023442966912  6.072963529839  0.056326138337  0.014710564248  0.069485684725  -0.004771290920  -0.004988686112  -0.000802220329
  31  Al  6.088470449162  6.071313151040  4.055404182846  -0.039445344139  0.033160634944  -0.077057701356  0.002368306367  -0.001131214194  0.002959678640


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)
  -82.842683825723  -0.008399014876  0.008555009361
  -0.008399014876  -82.772148913549  0.009025871322
  0.008555009361  0.009025871322  -82.549165856746
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.078812542754  8.091511921438  8.094967622415  -0.011944341935  0.066511821663  -0.036839990037  -0.003243387241  -0.001666469835  0.000748580805
  1  Al  8.087528988112  2.007038825649  2.001175522805  0.011711970795  0.011009975468  0.039306498040  -0.002057696500  -0.002984883599  -0.003945831928
  2  Al  2.003520393492  8.081572255974  2.019774870081  0.089473771100  -0.039110034046  0.094157479646  0.002070721006  -0.001204863022  0.000483725693
  3  Al  2.009076498764  2.033074839707  0.021005544624  0.006112162741  0.012031926866  -0.151801735148  -0.002640631128  0.001868873689  0.004239444126
  4  Al  8.098568660002  8.098573686867  4.052374213454  0.036200183694  0.006202081909  -0.039233009739  -0.000792241736  0.000680426086  0.003445479876
  5  Al  8.098003253457  2.024109960741  6.074115886749  -0.043257306127  -0.002529021257  0.039191855248  -0.000736781614  0.001193885883  -0.002238270669
  6  Al  2.018185467763  8.095925518631  6.069423890034  -0.057206966967  0.036503274530  0.014790346123  -0.001175418685  -0.000636464915  -0.000918372060
  7  Al  2.023201526966  2.030318127829  4.064723862859  -0.013453933130  -0.023991363385  -0.025814285775  -0.000308801056  0.000868353098  0.002445165501
  8  Al  8.089656758838  4.073095137803  8.066899003994  -0.011444807197  -0.099974518522  -0.025395417354  -0.001728962333  0.003781946870  -0.005535842434
  9  Al  0.007593656021  6.071998576211  2.022550826609  0.039011396386  0.060578548339  0.074102225322  0.001291510618  -0.000458393271  -0.000357910879
  10  Al  2.047650135377  4.022183953284  2.044654058270  -0.014557889250  0.169878652592  0.029799497204  0.004836894832  -0.004661639440  0.003608810882
  11  Al  2.047186321322  6.082211269853  0.003797662078  -0.028716227475  -0.008194735216  0.095180012592  0.005612791841  0.001109753571  -0.002085256018
  12  Al  0.012784031010  4.056424281872  4.103599071882  0.031210364075  -0.000408615997  -0.074809786292  0.002558415744  0.001036845515  0.010025096804
  13  Al  8.099984498637  6.070922793232  6.066171290983  -0.000228781852  -0.006231394098  0.033480427665  0.001226518889  -0.001401808322  0.002879945246
  14  Al  2.025497689058  4.047275995375  6.085866956332  0.001918841424  -0.034180865053  -0.017916948908  0.001731080384  0.004997137716  0.003317639591
  15  Al  2.045736309357  6.078495470183  4.030463220988  -0.040210964527  -0.030650099696  -0.016887901036  0.000956028886  0.000406196118  0.000910419097
  16  Al  4.060588325302  0.012995593270  0.016993766525  0.024649499786  -0.003060408443  0.028494303025  0.000020649234  0.003001587006  -0.001830539093
  17  Al  4.041201020874  2.025667148553  2.012215864249  0.059926039200  -0.051456039775  0.044930746760  0.000625637674  0.002312804631  -0.002844621922
  18  Al  6.076585324116  0.003383973314  1.998460869554  -0.033144316302  -0.024883215369  0.037971111209  -0.002240544984  0.003932001321  -0.004016079582
  19  Al  6.084594396628  2.053992851416  8.063967137121  -0.025377857889  -0.094464645884  0.026222474730  0.001567724260  0.004765791970  -0.005997496644
  20  Al  4.063791436281  0.012337898641  4.060153872964  -0.059138269737  -0.065338660902  -0.142441250259  0.003463278449  -0.002496793683  0.003319631850
  21  Al  4.056430352213  2.016164155294  6.081075737397  0.022570981844  0.120829538639  0.060192664848  0.001086919753  -0.001389525592  0.001059306889
  22  Al  6.053180058614  0.043005181884  6.079413243852  0.114917079553  0.017155573215  0.048308116794  -0.003813873947  0.008713795558  0.002008194527
  23  Al  6.099512659153  2.011334395157  4.039785532370  -0.047257350598  0.031823640382  0.104977177595  0.004226145063  -0.004437105508  -0.001836363140
  24  Al  4.055526097952  4.046976895538  0.032264396120  0.008755396773  0.003884868259  -0.118201885954  0.000933899392  -0.000507841046  0.005297789780
  25  Al  4.039325073127  6.103915393629  2.052319160059  -0.037001969761  -0.013450165918  -0.020478260034  -0.001799879746  0.004815304022  0.004533442478
  26  Al  6.059991144917  4.071474825046  2.005106536911  -0.002270327019  -0.026650482646  0.052016426865  0.001507722515  0.002408549908  0.000338811079
  27  Al  6.063415824627  6.088053737918  0.026171668876  -0.016883763176  -0.015240982566  -0.098968377768  -0.001935553777  0.002163316590  0.004299960818
  28  Al  4.056097365424  4.062095898841  4.071999682177  -0.059440656710  0.011397232833  -0.049867853161  0.000978370708  0.002017948716  0.003632306060
  29  Al  4.046248078934  6.079744208043  6.084909374305  0.033062675819  -0.064746849334  0.004253180262  0.001282653589  0.001976100208  -0.001337991645
  30  Al  6.055150738890  4.020949281413  6.072565525659  0.063541262350  0.018305045404  0.075745308548  -0.004760574861  -0.004985734541  -0.000789236783
  31  Al  6.089652839153  6.070749026211  4.056880577715  -0.041525895888  0.038449918010  -0.084463151009  0.002361067596  -0.001124812262  0.002945238792


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)
  -82.758897115389  -0.010321067289  0.001543381829
  -0.010321067289  -82.662171010949  0.016588865860
  0.001543381829  0.016588865860  -82.440962162560
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.077190315226  8.090681659575  8.095340266083  -0.010688532968  0.074851103086  -0.044253781161  -0.000484229403  0.003151380906  -0.001464288959
  1  Al  8.086500663383  2.005546875991  1.999204363827  0.009686034585  0.016469256207  0.042806266140  -0.002055783534  -0.002982426975  -0.003938491106
  2  Al  2.004559753440  8.080968076258  2.020020941733  0.090687921781  -0.043614019538  0.098166678834  0.002086827331  -0.001212258493  0.000500919334
  3  Al  2.007756456412  2.034009814374  0.023118481203  0.005996688135  0.014628625897  -0.164069816323  -0.002639548605  0.001871257123  0.004211205436
  4  Al  8.098174157269  8.098914177141  4.054095199690  0.038619716012  0.004045936765  -0.043201245413  -0.000785552891  0.000681342251  0.003438110313
  5  Al  8.097632929064  2.024706790636  6.072998503276  -0.045798786246  -0.003757587200  0.048095079796  0.005322586940  -0.000973330227  -0.002629352810
  6  Al  2.017595201290  8.095608917857  6.068965365127  -0.059640743363  0.032129065100  0.018066826893  -0.001185864786  -0.000630329233  -0.000915434652
  7  Al  2.023046525052  2.030751231973  4.065945291721  -0.014822183748  -0.024148886578  -0.028476246086  -0.000311328920  0.000864049395  0.002440311967
  8  Al  8.088791766093  4.074981642413  8.064129947611  -0.010980030866  -0.108734487065  -0.025379857824  -0.002023278097  -0.002062598594  -0.005950932717
  9  Al  0.008241155125  6.071772087414  2.022375183512  0.045575502826  0.063057737485  0.080397207541  0.001299072626  -0.000447340276  -0.000344098741
  10  Al  2.050067932060  4.019860727079  2.046459795738  -0.020120685710  0.182774651831  0.030717498952  0.004833794592  -0.004630112488  0.003614221058
  11  Al  2.049991433637  6.082765780337  0.002759288582  -0.031602642662  -0.007318165423  0.100085103412  0.005607399377  0.001108366729  -0.002067799457
  12  Al  0.014064633974  4.056942686364  4.108608276314  0.033410944769  -0.000459802786  -0.081067824621  0.002564192842  0.001036767879  0.010011161457
  13  Al  0.000601500111  6.070221610530  6.067612760170  0.001543909934  -0.005488955784  0.031413143339  0.001226636460  -0.001402856113  0.002885746685
  14  Al  2.026363315022  4.049773036361  6.087524975247  -0.000530124668  -0.037297081828  -0.018009464135  0.001731204535  0.004990747639  0.003314427796
  15  Al  2.046212526384  6.078697198194  4.030917675654  -0.039918241494  -0.033197354391  -0.015262563241  0.001685414016  0.000295394849  -0.002997445604
  16  Al  4.060599751743  0.014496249974  0.016079770664  0.027567029792  -0.006244974597  0.031047746587  0.000025317354  0.003000755111  -0.001825216077
  17  Al  4.041516518384  2.026821250802  2.010795561676  0.066663926081  -0.056703479716  0.048002228196  0.003164984279  0.001558814743  -0.000964211020
  18  Al  6.075463570085  0.005348861703  1.996454527058  -0.033992120464  -0.025732122699  0.041280444925  0.005764954509  -0.004082603226  -0.004672478286
  19  Al  6.085377124377  2.056371524866  8.060969560934  -0.024897909102  -0.101640867128  0.033902015065  0.001563229642  0.004748260278  -0.005992121558
  20  Al  4.065520432046  0.011086581184  4.061807321816  -0.062711602444  -0.066282538216  -0.149241426615  0.003452385158  -0.002508560524  0.003293555629
  21  Al  4.056974821004  2.015474793535  6.081608081432  0.025299546077  0.127574360922  0.064893583244  0.001091199344  -0.001367318462  0.001070489510
  22  Al  6.051278258392  0.047362846510  6.080419500471  0.122201667568  0.013360416287  0.050412588325  -0.003792675701  0.008716523665  0.002017020087
  23  Al  6.101623619298  2.009117264908  4.038872043242  -0.051646226135  0.038686427939  0.110823869068  0.004217303155  -0.004430801958  -0.001817070682
  24  Al  4.055993439011  4.046723148668  0.034908007428  0.008961864515  0.004883586084  -0.129236846457  0.000935483303  -0.000507057152  0.005275668936
  25  Al  4.038423479280  6.106322444422  2.054584965927  -0.040615370881  -0.015155359434  -0.021433966712  -0.001806818680  0.004812746708  0.004529695555
  26  Al  6.060744904691  4.072677908733  2.005278267566  -0.004049321797  -0.034966542907  0.053135367428  0.001507157543  0.002403041390  0.000348211573
  27  Al  6.062447293040  6.089134714946  0.028317225434  -0.020114353728  -0.015951956498  -0.112109568901  -0.001938861382  0.002160527963  0.004281090602
  28  Al  4.056583893802  4.063105382651  4.073813606131  -0.062613473603  0.013887903149  -0.055116810007  0.000967459156  0.002020209189  0.003622920506
  29  Al  4.046890883618  6.080729363986  6.084240568598  0.031337740693  -0.065819666834  0.010167185334  0.001288410940  0.001964427656  -0.001336702475
  30  Al  6.052773291731  4.018457232372  6.072174293056  0.071256532593  0.023160988830  0.080989605648  -0.004748524035  -0.004982027507  -0.000775224794
  31  Al  6.090831516759  6.070188338778  4.058349421638  -0.044066675483  0.043003789039  -0.087543021233  0.002353415682  -0.001117530359  0.002929861564


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)
  -82.667620199181  -0.008562994037  -0.012278848446
  -0.008562994037  -82.560075310572  0.031894533074
  -0.012278848446  0.031894533074  -82.315946501824
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.076947722751  8.092260695845  8.094606143476  -0.011870249634  0.081296421226  -0.046451461985  -0.001264841384  0.000842177694  0.001532003022
  1  Al  8.085473204578  2.004056398673  1.997237031699  0.009782081641  0.019798435951  0.046121926563  -0.002054043098  -0.002979184670  -0.003930540990
  2  Al  2.005607220823  8.080359997481  2.020275789415  0.093711766844  -0.046363414474  0.103071071196  0.002103312531  -0.001220302410  0.000518909844
  3  Al  2.006436950159  2.034946096830  0.025216750060  0.005201203677  0.014790325096  -0.175552426760  -0.002638547522  0.001873887156  0.004180843452
  4  Al  8.097783107111  8.099255029118  4.055812323767  0.042061182791  0.003451232697  -0.049009719880  -0.000778340077  0.000682012493  0.003429866719
  5  Al  0.000295927601  2.024219957560  6.071685976704  -0.053422280892  -0.005205888679  0.055455949128  0.005313716648  -0.000974131555  -0.002620095423
  6  Al  2.016999602977  8.095295189398  6.068508455382  -0.060221186318  0.033525731775  0.018061222231  -0.001196580356  -0.000624459742  -0.000912204831
  7  Al  2.022890198045  2.031182177224  4.067164174826  -0.016993682402  -0.026513769275  -0.031262084362  -0.000314173236  0.000859520190  0.002434971403
  8  Al  8.087779636241  4.073945482723  8.061153346782  -0.009839410706  -0.113624510033  -0.020914934878  -0.002025139340  -0.002082477329  -0.005955071438
  9  Al  0.008892728646  6.071551235934  2.022206727868  0.047885635797  0.065076257011  0.087907518729  0.001307427984  -0.000435885189  -0.000329052420
  10  Al  2.052483929969  4.017553840796  2.048268279329  -0.022144108583  0.192642719883  0.033321512142  0.004830016150  -0.004596550446  0.003619946100
  11  Al  2.052793720699  6.083319636582  0.001729862621  -0.031143808506  -0.005947332683  0.108588066085  0.005601789889  0.001107180803  -0.002049144225
  12  Al  0.015348223852  4.057461049750  4.113610233340  0.034651598778  -0.001987664102  -0.090311918854  0.002570277585  0.001036549077  0.009995840232
  13  Al  0.001214887353  6.069519937119  6.069057037668  0.002370737755  -0.003915787674  0.025206985054  0.001226986427  -0.001403696890  0.002890808484
  14  Al  2.027228893592  4.052266743014  6.089181384128  -0.002392157528  -0.042930935352  -0.021276409103  -0.003517835446  -0.000525556315  -0.001793320069
  15  Al  2.047053449062  6.078843411709  4.029418270621  -0.035825680475  -0.035567605408  -0.011313219034  0.001678642564  0.000289247311  -0.002999821460
  16  Al  4.060613642657  0.015996348381  0.015168550449  0.030828624401  -0.010137121126  0.038190983338  0.000656726526  0.002636168476  -0.004241805629
  17  Al  4.043101990377  2.027598123548  2.010315601848  0.070407780131  -0.061679402180  0.049025965083  0.003177238391  0.001548231399  -0.000955536770
  18  Al  6.078344527904  0.003306409873  1.994120133136  -0.044081449177  -0.019782137796  0.047869628546  0.005757974788  -0.004086672169  -0.004664508334
  19  Al  6.086157626271  2.058741111694  8.057975015563  -0.021668613885  -0.110297439094  0.043312054510  0.001559066629  0.004729313146  -0.005985218676
  20  Al  4.067243821439  0.009829338117  4.063447428593  -0.065288392152  -0.070139280959  -0.159100262505  -0.000761215574  -0.000159405654  -0.003893922639
  21  Al  4.057521551557  2.014796836832  6.082146226907  0.026253987362  0.133927591672  0.067246063146  0.001095808193  -0.001343940376  0.001082302699
  22  Al  6.049387382912  0.051721705549  6.081430263939  0.131471244961  0.010884151641  0.049007545339  -0.003769997525  0.008718691112  0.002025908176
  23  Al  6.103729962307  2.006903593199  4.037968461688  -0.053402275267  0.044531290896  0.116942806698  0.004207911894  -0.004423362354  -0.001796708505
  24  Al  4.056461581255  4.046469838386  0.037540065055  0.010595544274  0.005848080694  -0.136788274961  -0.002998383780  -0.000164683713  -0.000331238090
  25  Al  4.037518254447  6.108728140337  2.056848855615  -0.041448519006  -0.016969465111  -0.018514240136  -0.001814155133  0.004809874772  0.004526124215
  26  Al  6.061498302459  4.073877866436  2.005454748485  -0.005086107553  -0.039327633083  0.056971252605  0.001506340842  0.002396399545  0.000358055026
  27  Al  6.061476963244  6.090214265882  0.030452759478  -0.023481680771  -0.017757851949  -0.120049310984  -0.001942758837  0.002157514331  0.004260335765
  28  Al  4.057064824580  4.064116108030  4.075622602683  -0.064612781360  0.020065508430  -0.061481082067  0.002813454590  -0.000429797032  -0.000209070783
  29  Al  4.047536489874  6.081708635699  6.083572671830  0.031318827262  -0.068732738412  0.010593158743  0.001294012392  0.001952398767  -0.001334846515
  30  Al  6.050402214855  4.015967253906  6.071790300865  0.075907434568  0.025143970668  0.081453663115  -0.004735367682  -0.004977709078  -0.000760702483
  31  Al  6.092006254835  6.069631495852  4.059810439279  -0.049525266028  0.045898259750  -0.096322026743  0.002345048630  -0.001109582580  0.002913424161


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)
  -82.582795080396  0.001142182996  -0.028271452982
  0.001142182996  -82.446895388826  0.040927660926
  -0.028271452982  0.040927660926  -82.202566147318
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.076314771463  8.092685418613  8.095370068623  -0.012921568031  0.090191884903  -0.053077836739  -0.001267057755  0.000857508625  0.001523105174
  1  Al  8.084446620285  2.002567691321  1.995273822837  0.012311357929  0.021200880392  0.047250736030  -0.002052067961  -0.002975519360  -0.003922193541
  2  Al  2.006663065971  8.079747773848  2.020539851577  0.096326922192  -0.049509165190  0.103648646136  0.002120301853  -0.001228873350  0.000537390438
  3  Al  2.005117908890  2.035883701531  0.027299324655  0.003121153737  0.012529197999  -0.191066305744  -0.002637803509  0.001876329502  0.004148068001
  4  Al  8.097395817192  8.099596189633  4.057525066409  0.048595262591  0.003001225970  -0.051469831971  0.001301115640  -0.001618836520  0.003039372784
  5  Al  0.002950397969  2.023732659081  6.070378407853  -0.057845816640  -0.006058694733  0.061578663586  0.005303769360  -0.000975138601  -0.002609632612
  6  Al  2.016398620934  8.094984458115  6.068053160297  -0.063018880234  0.039198633609  0.017925217352  -0.001207597929  -0.000617958236  -0.000908987669
  7  Al  2.022732351816  2.031610752163  4.068380263124  -0.020436567106  -0.028848664850  -0.029670625297  -0.000317519473  0.000854570828  0.002429524063
  8  Al  8.086766626753  4.072899165084  8.058174876173  -0.008208575182  -0.117311438493  -0.019254765519  -0.002026752817  -0.002103122836  -0.005958662580
  9  Al  0.009548583109  6.071336202225  2.022046131093  0.048335728469  0.066655892807  0.091567131758  -0.001888138288  -0.006599870503  -0.003220986392
  10  Al  2.054897948210  4.015264176633  2.050079741838  -0.026011074980  0.202865703838  0.035145653252  0.004825711111  -0.004561192277  0.003626067015
  11  Al  2.055593223527  6.083872961140  0.000710144356  -0.033521782881  -0.004613584981  0.116017569476  0.005596008832  0.001106236665  -0.002029064643
  12  Al  0.016634911559  4.057979235441  4.118604116545  0.035413128527  -0.002885616518  -0.094069281784  0.002576541321  0.001036113409  0.009979356685
  13  Al  0.001828486538  6.068817913640  6.070503568653  0.002669451616  -0.005140985825  0.019525351132  0.000762921694  0.002636538342  0.001509825008
  14  Al  2.025469868941  4.052002045860  6.088283773046  0.000316925362  -0.044461014102  -0.020491672269  -0.003518020970  -0.000533369092  -0.001797054106
  15  Al  2.047891168949  6.078986445505  4.027917854194  -0.034496176888  -0.040679579608  -0.006963368733  0.001672355841  0.000282430867  -0.003001455374
  16  Al  4.060943383948  0.017313979493  0.013049354757  0.031754222402  -0.013670495999  0.047870338057  0.000662321387  0.002634040093  -0.004234111808
  17  Al  4.044693756774  2.028369482201  2.009840024906  0.071159604691  -0.067967491931  0.046945940494  0.000430784888  -0.002702551943  0.005647666231
  18  Al  6.081221544873  0.001262189535  1.991790018724  -0.051199150930  -0.017211785442  0.050942815704  0.005749456771  -0.004089979399  -0.004655674572
  19  Al  6.086936191006  2.061100838012  8.054984342258  -0.019081518648  -0.119387944310  0.049058189483  0.001555423596  0.004708779438  -0.005976960843
  20  Al  4.066860295284  0.009746500089  4.061493355548  -0.064253813574  -0.073176232887  -0.158568685627  -0.000772796553  -0.000172217958  -0.003922322015
  21  Al  4.058070629197  2.014130853159  6.082690384131  0.023818836363  0.140949323645  0.067883811361  0.001100284667  -0.001319366577  0.001094383212
  22  Al  6.047508260867  0.056081537623  6.082445408647  0.140357784187  0.007987161699  0.049128062195  -0.003745696206  0.008720378194  0.002034681428
  23  Al  6.105831531192  2.004693902554  4.037075334736  -0.055348438664  0.050831418359  0.127240959708  0.004198189659  -0.004414836996  -0.001774878652
  24  Al  4.054962862982  4.046387757937  0.037368331623  0.019188627362  0.006277505074  -0.141814466799  -0.002995721096  -0.000163599695  -0.000356144975
  25  Al  4.036609324147  6.111132319194  2.059111090142  -0.041505554354  -0.018742907376  -0.020378140146  -0.001821571167  0.004806682112  0.004522647264
  26  Al  6.062251245533  4.075074308278  2.005636322592  -0.007740717883  -0.038178766842  0.055118363943  0.001505194133  0.002389470528  0.000368075757
  27  Al  6.060504534203  6.091292229277  0.032577561199  -0.025997694680  -0.021030415735  -0.127918873208  -0.001947182257  0.002154046688  0.004238167588
  28  Al  4.058468663707  4.063902106435  4.075515319109  -0.071177738237  0.028159892816  -0.060401854034  0.002801315015  -0.000425485715  -0.000219967030
  29  Al  4.048184896010  6.082681762754  6.082905722083  0.031176957104  -0.074679596973  0.011258575250  0.001299599470  0.001939577808  -0.001332892986
  30  Al  6.048037924049  4.013479523293  6.071413590572  0.081705778402  0.026973800948  0.081711093812  -0.004721277174  -0.004973049787  -0.000746115671
  31  Al  6.093176565388  6.069078756198  4.061262845799  -0.053486672021  0.046731859736  -0.104671410858  0.002335839437  -0.001101301514  0.002895455492


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)
  -82.489282125961  0.007845558676  -0.042630885947
  0.007845558676  -82.345053600494  0.048348470387
  -0.042630885947  0.048348470387  -82.077532556822
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.075680664996  8.093118204470  8.096129248650  -0.014744785486  0.094249561136  -0.055689307316  -0.001269531107  0.000873997558  0.001513381469
  1  Al  8.083421136617  2.001080879313  1.993314838158  0.015611398690  0.024602227178  0.047441094646  -0.002049571686  -0.002971424595  -0.003913728159
  2  Al  2.007727522676  8.079131124131  2.020813179854  0.099615623105  -0.053294120223  0.103507603445  0.002137818975  -0.001238063890  0.000555910058
  3  Al  2.003799146650  2.036822426333  0.029364818061  0.000661998028  0.009281496275  -0.203011253449  -0.002637465298  0.001878279363  0.004112837751
  4  Al  8.098048547203  8.098786905527  4.059042452118  0.052971545794  0.006217260975  -0.056130337187  0.001310195640  -0.001618012394  0.003029753407
  5  Al  0.005599696962  2.023244818959  6.069076344091  -0.061204437718  -0.005238569467  0.068631133860  0.005293126353  -0.000976148568  -0.002597991950
  6  Al  2.015792005048  8.094677231162  6.067599467713  -0.063112679665  0.045340593942  0.017975469836  -0.004603471907  0.000637851726  -0.001108925265
  7  Al  2.022572678572  2.032036748052  4.069593698889  -0.021598835172  -0.031956180928  -0.030647860112  -0.000321277408  0.000849134918  0.002424131634
  8  Al  8.085752883424  4.071842359887  8.055194684202  -0.008245036861  -0.117953337504  -0.015216602894  -0.002028223758  -0.002124155338  -0.005961744296
  9  Al  0.008606674555  6.068039246468  2.020439730914  0.052173775412  0.074934341726  0.092578176223  -0.001879152810  -0.006587212438  -0.003204523934
  10  Al  2.057309641080  4.012992648519  2.051894346344  -0.030473968402  0.211780134834  0.036525015547  0.004820661389  -0.004524123238  0.003632474321
  11  Al  2.058389729531  6.084425873246  8.099697045722  -0.038964302104  -0.002632695775  0.126978436612  0.005589528628  0.001105588852  -0.002007340975
  12  Al  0.017924765173  4.058497163160  4.123589590025  0.036158546538  -0.005187362014  -0.099474999851  0.002582939777  0.001035391691  0.009962053965
  13  Al  0.002210066709  6.070135953010  6.071259353933  0.002139049764  -0.012141083981  0.019225430703  0.000763351570  0.002634993337  0.001513289300
  14  Al  2.023710872622  4.051733373922  6.087384330022  -0.000058086395  -0.047933981115  -0.019712235690  -0.003517997830  -0.000541629138  -0.001800648306
  15  Al  2.048725804903  6.079125842576  4.026416815247  -0.031841561337  -0.045310413892  -0.005604591139  0.001666425295  0.000274743424  -0.003002578941
  16  Al  4.061275964044  0.018630388473  0.010934438640  0.034290920863  -0.017954100905  0.059620899361  0.000668225775  0.002631212876  -0.004224502169
  17  Al  4.044912330027  2.027015168106  2.012665956488  0.074399698980  -0.071588013927  0.038883787196  0.000443797785  -0.002715028105  0.005655339347
  18  Al  6.084093984675  8.099212678218  1.989464458564  -0.061116921832  -0.015822933250  0.052635205377  -0.002581826476  0.002862284419  -0.000634900907
  19  Al  6.087713049867  2.063449891132  8.051998054720  -0.016805729389  -0.128473482020  0.058393869494  0.001552215302  0.004686620805  -0.005967354706
  20  Al  4.066471024885  0.009657120159  4.059525106578  -0.063746190524  -0.074876478363  -0.159616541732  -0.000784239662  -0.000185453764  -0.003950767545
  21  Al  4.058621836224  2.013477470255  6.083240610119  0.021725595671  0.146191943463  0.066784977702  0.001104356307  -0.001293696355  0.001106422505
  22  Al  6.045641686707  0.060442083743  6.083464945368  0.145750762596  0.002019101341  0.050832505495  -0.003720118308  0.008721272747  0.002043617831
  23  Al  6.107928151966  2.002488756202  4.036193583035  -0.060464700950  0.056749172929  0.134321215276  0.004187836047  -0.004405219369  -0.001751495182
  24  Al  4.053465860159  4.046306238691  0.037183920080  0.028725366739  0.006535566413  -0.141535051943  -0.002991437619  -0.000162454215  -0.000381476218
  25  Al  4.035696683280  6.113534822449  2.061371502878  -0.039933677748  -0.020817929379  -0.022905182828  -0.001828851776  0.004803145401  0.004518777766
  26  Al  6.063003496592  4.076267336965  2.005822824242  -0.011092161669  -0.037380271816  0.051373101937  0.001503510487  0.002382715605  0.000377596017
  27  Al  6.059529780987  6.092368312569  0.034690927065  -0.026791404441  -0.024159479307  -0.133278669129  -0.001951901565  0.002150006744  0.004214816715
  28  Al  4.059866139596  4.063690622315  4.075402635653  -0.076835035340  0.033590862206  -0.063698465254  0.002788082780  -0.000419965242  -0.000231061509
  29  Al  4.048836089344  6.083648213507  6.082239778844  0.033621363902  -0.076399652521  0.012725358537  0.001305392393  0.001926071432  -0.001330748840
  30  Al  6.045680937681  4.010994204119  6.071044185193  0.089281221202  0.029922200636  0.083349106514  -0.004705991060  -0.004967963326  -0.000731359408
  31  Al  6.094342094272  6.068530194338  4.062705894771  -0.060097352250  0.047705623336  -0.115261289240  0.002325685107  -0.001092858871  0.002875793667


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)
  -82.393332859350  0.004278334374  -0.048022303384
  0.004278334374  -82.231478498554  0.049764137536
  -0.048022303384  0.049764137536  -81.956495557841
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.075045240356  8.093559416170  8.096883450092  -0.017774433718  0.098591857511  -0.063310039646  -0.001272438302  0.000891237442  0.001502743013
  1  Al  8.082397048598  1.999596266726  1.991360094678  0.017753209112  0.030300849141  0.050034442441  -0.002046588915  -0.002966516300  -0.003905013917
  2  Al  2.008800884946  8.078509709958  2.021095761635  0.106090236950  -0.055657533150  0.105989663897  0.002156208931  -0.001247804089  0.000574638963
  3  Al  2.002480443593  2.037761980893  0.031412162406  -0.001322212659  0.008016120918  -0.216532586145  -0.002637524321  0.001879825757  0.004075330834
  4  Al  8.098706012832  8.097978177240  4.060554819816  0.055705566364  0.009413385649  -0.054154598534  0.001319911296  -0.001616615025  0.003019894013
  5  Al  0.008243524322  2.022756510513  6.067780415903  -0.067959541386  -0.002643796383  0.072941672925  0.005281579187  -0.000976853246  -0.002585335443
  6  Al  2.013487447981  8.094998183733  6.067045808578  -0.059723853711  0.045261209441  0.016095177196  -0.004614453404  0.000645951462  -0.001105879373
  7  Al  2.022411074408  2.032459887081  4.070804394758  -0.022346927750  -0.034694931463  -0.029206562758  -0.000325206128  0.000843176357  0.002418780691
  8  Al  8.084738402995  4.070775009746  8.052213131877  -0.008436416400  -0.119494774580  -0.017279544749  -0.002029715068  -0.002145383028  -0.005964649428
  9  Al  0.007669430299  6.064748989786  2.018841607159  0.055154213874  0.082877223695  0.095990146461  -0.001869557765  -0.006573104198  -0.003187666062
  10  Al  2.059718609599  4.010740053396  2.053712216159  -0.033419340619  0.219972021167  0.037577456691  0.007172874409  0.004645146354  0.000406090476
  11  Al  2.061182752155  6.084978549992  8.098699051125  -0.043659946816  -0.000523792086  0.131964750679  0.005582142080  0.001105306665  -0.001984191641
  12  Al  0.019217851336  4.059014627132  4.128566170511  0.034219760244  -0.008661827418  -0.098446101808  0.002589231547  0.001034153583  0.009944359961
  13  Al  0.002591838108  6.071452906977  6.072016857953  0.002513553675  -0.018263473152  0.016173345740  0.002450577267  0.004233467286  0.001575297323
  14  Al  2.021951871111  4.051460416721  6.086483124739  -0.000344148262  -0.050480179354  -0.020442136354  -0.003518033790  -0.000550427293  -0.001804238078
  15  Al  2.049557594244  6.079261188928  4.024915275253  -0.028940025884  -0.047830122989  0.002389090301  0.001660991465  0.000266416727  -0.003002866404
  16  Al  4.061611609723  0.019945192370  0.008824852588  0.033510118550  -0.021979491872  0.068279852255  0.000674287139  0.002627642842  -0.004213067934
  17  Al  4.045137554560  2.025654454095  2.015495364253  0.075104459013  -0.074160963785  0.033689091745  0.000457163350  -0.002728057959  0.005661827310
  18  Al  6.082800339532  0.000646865405  1.989149360885  -0.062422911069  -0.022153430801  0.051475351896  -0.002592870849  0.002858889360  -0.000625593498
  19  Al  6.088488406308  2.065787458816  8.049016987552  -0.014064067950  -0.136157835313  0.064570169604  0.001549455564  0.004662962956  -0.005956361809
  20  Al  4.066076055623  0.009561046326  4.057542588003  -0.064480122973  -0.076473152924  -0.156263120308  -0.000795703002  -0.000198984312  -0.003979006960
  21  Al  4.059174985503  2.012837156805  6.083796806636  0.019492294554  0.150783129110  0.062642717841  0.001108041156  -0.001267146997  0.001117993248
  22  Al  6.043788142559  0.064802810369  6.084489026478  0.152754905167  -0.003065493717  0.047843850436  -0.004134437589  -0.002858787819  0.000867131582
  23  Al  6.110019367239  2.000288683185  4.035323839554  -0.064691741347  0.063724866165  0.146056339817  0.004176647151  -0.004394449077  -0.001726429630
  24  Al  4.051971425363  4.046225303721  0.036986855406  0.035194873863  0.006215420187  -0.142037688039  -0.002985723196  -0.000161314286  -0.000406827417
  25  Al  4.034780472371  6.115935464596  2.063629867908  -0.041037843429  -0.022285638433  -0.023004346841  -0.001836090572  0.004799291973  0.004514673487
  26  Al  6.063754756020  4.077457023882  2.006013918610  -0.014860124193  -0.040132920668  0.050504957698  0.001501190371  0.002375785981  0.000386703843
  27  Al  6.058552632639  6.093442236021  0.036792377914  -0.026979466056  -0.025838961290  -0.142010981627  -0.001956708642  0.002145536919  0.004190206019
  28  Al  4.061256746487  4.063482141193  4.075284257600  -0.083281648458  0.038021960155  -0.065064701226  0.002773768464  -0.000413563108  -0.000242572844
  29  Al  4.049490288403  6.084607834185  6.081574973243  0.031987524553  -0.075508784188  0.011629711236  0.001311257781  0.001912490927  -0.001328571514
  30  Al  6.043331932989  4.008511559968  6.070682231164  0.102140112000  0.032466110524  0.082333460807  -0.004688878130  -0.004962385855  -0.000716547506
  31  Al  6.095502250495  6.067985897327  4.064138639467  -0.065876055240  0.050362949903  -0.120428841629  0.002314423175  -0.001084091611  0.002854723139


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)
  -82.272900982706  0.008247966529  -0.056417316440
  0.008247966529  -82.202646837264  0.051633190693
  -0.056417316440  0.051633190693  -81.826707188038
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.074408226694  8.094009441912  8.097631991663  -0.019424404940  0.102029299935  -0.067137966347  -0.001275763851  0.000909172829  0.001491081056
  1  Al  8.081374547703  1.998114363013  1.989409824241  0.018616004410  0.035695513334  0.050657805725  -0.003279649300  0.000936207542  -0.002894312450
  2  Al  2.009883731607  8.077883320042  2.021387818816  0.113879129503  -0.054960764385  0.105986705660  0.002175874034  -0.001257693285  0.000593589498
  3  Al  2.001161622330  2.038702252090  0.033440148895  -0.003048972292  0.007583235881  -0.224221392632  -0.002637915101  0.001881220328  0.004035927745
  4  Al  8.099368458499  8.097170290502  4.062062346131  0.057333787334  0.012193682821  -0.057338910074  0.001330016932  -0.001614683369  0.003009926573
  5  Al  0.010881276148  2.022267965713  6.066491008648  -0.074423291187  -0.001494793407  0.080103888407  0.005268850264  -0.000977223233  -0.002571653280
  6  Al  2.011177551644  8.095323182624  6.066493588340  -0.057859014491  0.043957813011  0.016147859051  -0.004624965228  0.000653927579  -0.001102996869
  7  Al  2.022247472444  2.032879924409  4.072012479580  -0.021887387039  -0.037809112031  -0.035788666875  -0.000329160644  0.000836694548  0.002412970165
  8  Al  8.083723168356  4.069696976859  8.049230034774  -0.007780008953  -0.119785304272  -0.014307406377  0.000443501878  -0.003794093140  -0.002141522145
  9  Al  0.006737116790  6.061466142270  2.017252064853  0.056892203786  0.090675970844  0.097096066390  -0.001859540896  -0.006557588667  -0.003170404293
  10  Al  2.063303552971  4.013072459243  2.053916941096  -0.036789335705  0.219187707894  0.038500191549  -0.005529561580  -0.000144764876  -0.001907468568
  11  Al  2.063971871611  6.085531179911  8.097712854081  -0.048025260453  -0.000062705959  0.139859755600  0.005573945488  0.001105254232  -0.001959890725
  12  Al  0.020513996721  4.059531316743  4.133533949986  0.031527590459  -0.010361788291  -0.102799736694  0.002595109313  0.001032452886  0.009926368728
  13  Al  0.003817239097  6.073568824249  6.072805229557  0.002807638437  -0.026037843050  0.015179543299  0.005022982023  -0.004469383119  0.001042929685
  14  Al  2.020192838833  4.051182946629  6.085580091944  -0.000747095181  -0.051514856759  -0.016656827974  -0.003518131346  -0.000559545576  -0.001807554699
  15  Al  2.050386796367  6.079392259302  4.023413948843  -0.025810462697  -0.049873055108  0.007811839706  0.001656096810  0.000257682133  -0.003001954448
  16  Al  4.061950251183  0.021258031315  0.006721370706  0.032079470703  -0.026556574843  0.083005787721  0.000680150801  0.002623303752  -0.004199543107
  17  Al  4.045369493377  2.024287110147  2.018327783798  0.076094998459  -0.076522350647  0.027002703893  0.000470680472  -0.002741528939  0.005667253113
  18  Al  6.081501113826  0.002075319834  1.988838865066  -0.065705803494  -0.026741274633  0.052120682553  -0.002604325463  0.002854518208  -0.000616332087
  19  Al  6.089262505431  2.068112854088  8.046041692911  -0.011742508571  -0.143932481391  0.075472739403  0.001547148475  0.004637923083  -0.005943842074
  20  Al  4.065675321884  0.009458135848  4.055546099618  -0.063688309709  -0.077805163010  -0.160587729761  -0.000807161168  -0.000212776682  -0.004007333198
  21  Al  4.059729877380  2.012210323258  6.084358603367  0.019178005208  0.153614364979  0.060910878720  0.001111498253  -0.001239934080  0.001129038851
  22  Al  6.041727751854  0.063373279433  6.084924730872  0.160580148043  0.005048688240  0.048238875489  -0.004106425660  -0.002858610523  0.000875721309
  23  Al  6.112104799117  1.998094307126  4.034467153405  -0.069725038598  0.067853363743  0.150417069057  0.004164630388  -0.004382686078  -0.001699925121
  24  Al  4.050480136963  4.046144924405  0.036777092664  0.041673393727  0.006935081136  -0.136418773339  -0.002978851228  -0.000160138641  -0.000431721224
  25  Al  4.033860592709  6.118334114422  2.065886176365  -0.039820927391  -0.025154980760  -0.025757845779  -0.001843319287  0.004795050816  0.004510314182
  26  Al  6.064504686964  4.078643122945  2.006209528085  -0.020072608857  -0.043672473669  0.046948897119  0.001498067410  0.002368293839  0.000395416147
  27  Al  6.057573072345  6.094513849488  0.038881133084  -0.027062718477  -0.028700466531  -0.144161835302  -0.001961539974  0.002140661133  0.004164622375
  28  Al  4.062639908059  4.063277059207  4.075160062809  -0.089135386564  0.043050995167  -0.074035710130  0.002758354505  -0.000406315244  -0.000255008320
  29  Al  4.050147347124  6.085560704433  6.080911207330  0.028266182741  -0.075643838853  0.012692976737  0.001316644419  0.001898977991  -0.001326397083
  30  Al  6.040992059550  4.006031818263  6.070327637687  0.115354832632  0.034695293524  0.083697292333  -0.004669434239  -0.004956381674  -0.000701704476
  31  Al  6.096656517446  6.067446102727  4.065560617910  -0.071534850846  0.054108817089  -0.132638757129  0.002302138739  -0.001074751910  0.002832099078


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)
  -82.185840742734  0.007263046699  -0.079127085220
  0.007263046699  -82.149823708605  0.053372740807
  -0.079127085220  0.053372740807  -81.695595431369
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.073769476504  8.094468588999  8.098374531148  -0.021920908408  0.105533762303  -0.072786701591  -0.001279460093  0.000927728817  0.001478571891
  1  Al  8.079735555182  1.998584062361  1.987964932401  0.018575792766  0.037833613534  0.051920406380  -0.003276324380  0.000942780994  -0.002885142032
  2  Al  2.010976758980  8.077252016673  2.021689351133  0.121387717200  -0.053498646873  0.108389468575  0.002196906721  -0.001267389479  0.000612754574
  3  Al  1.999842528491  2.039643201222  0.035448090152  -0.003958271267  0.007304586062  -0.239460210709  -0.002638541544  0.001882551289  0.003994474944
  4  Al  0.000039782021  8.096363493871  4.063564746389  0.055668902009  0.014623536636  -0.058001193806  0.001340119292  -0.001612285929  0.002999615251
  5  Al  0.013512374586  2.021779287280  6.065208762623  -0.081112295743  0.006963885373  0.084688157788  0.005254945494  -0.000976734300  -0.002556920990
  6  Al  2.008862482752  8.095652111312  6.065942811709  -0.044826500675  0.041632378874  0.014833981914  -0.004634145239  0.000661579280  -0.001100227115
  7  Al  2.022081913764  2.033296581629  4.073217364922  -0.021742687328  -0.040795331262  -0.035414379196  -0.000333061141  0.000829667367  0.002406604664
  8  Al  8.083944571531  4.067794575929  8.048158634166  -0.009306387161  -0.119431331900  -0.020554290698  0.000441974367  -0.003815478935  -0.002144638755
  9  Al  0.005809889403  6.058191401119  2.015671202866  0.057434005350  0.094063890184  0.101939573465  -0.001849320215  -0.006541073057  -0.003152610650
  10  Al  2.060537127711  4.013009874417  2.052964927757  -0.030644047642  0.224944570261  0.043450540777  -0.005535590076  -0.000105059770  -0.001900142232
  11  Al  2.066756697643  6.086083804224  8.096739160399  -0.051418947866  -0.001980483440  0.139969126777  0.005565055248  0.001105071572  -0.001934874225
  12  Al  0.021812960649  4.060047080017  4.138492539239  0.027343312543  -0.013993659179  -0.103331876522  0.002600372330  0.001030275526  0.009907940710
  13  Al  0.006328855609  6.071332968808  6.073327372920  -0.001436084990  -0.028488888890  0.013863914053  0.005023104639  -0.004474257769  0.001045526149
  14  Al  2.018433739765  4.050900871145  6.084675570040  -0.002596650347  -0.053788018806  -0.012996465511  -0.003518430274  -0.000568959578  -0.001810205682
  15  Al  2.051213691054  6.079518871061  4.021913320805  -0.022453650004  -0.054263059995  0.019198607576  0.001651782033  0.000248372439  -0.002999539734
  16  Al  4.062291760525  0.022568496122  0.004625309482  0.027675914920  -0.031865145116  0.085835920980  0.000685492890  0.002618080893  -0.004184448779
  17  Al  4.045608235032  2.022912925156  2.021162617366  0.073303411496  -0.078768417040  0.022664859435  0.000484036583  -0.002755411822  0.005671693357
  18  Al  6.080196014069  0.003501383613  1.988533028798  -0.067781666267  -0.031854149294  0.057042994948  -0.002616259147  0.002849279819  -0.000606572933
  19  Al  6.090035554783  2.070425381899  8.043073145478  -0.007036970989  -0.151851331507  0.081410707801  0.001545469603  0.004611480223  -0.005929816807
  20  Al  4.065268894455  0.009348269644  4.053535254806  -0.064110555282  -0.080021117529  -0.155395904478  -0.000818586294  -0.000226886238  -0.004035581907
  21  Al  4.060286483757  2.011597222725  6.084925845487  0.014504595756  0.149729866480  0.057666919388  0.001114509453  -0.001212815324  0.001139639620
  22  Al  6.039681716899  0.061944199847  6.085364747786  0.163927041623  0.011063966908  0.045480629425  -0.004077414951  -0.002857170063  0.000884099765
  23  Al  6.114183997627  1.995905997108  4.033623914433  -0.071906913090  0.070493010141  0.160158225287  0.004151968593  -0.004370318011  -0.001672159913
  24  Al  4.048992574134  4.046065165081  0.036555134182  0.043329206487  0.007812138647  -0.139987336677  -0.002971252057  -0.000158820250  -0.000456431731
  25  Al  4.032937153084  6.120730515412  2.068140182090  -0.039884989390  -0.023693574969  -0.024942783985  -0.001850444939  0.004790683791  0.004505781582
  26  Al  6.065252823431  4.079825317721  2.006409334757  -0.016675124801  -0.048050507169  0.046654001981  0.000603847858  0.000967467289  0.003354846975
  27  Al  6.056591092665  6.095582897154  0.040957000289  -0.025798208639  -0.033311371316  -0.153893438156  -0.001966265703  0.002135117320  0.004137976448
  28  Al  4.064015100992  4.063075825949  4.075029249279  -0.097192198199  0.049431066333  -0.074627634273  0.002741696953  -0.000398047414  -0.000268298716
  29  Al  4.050806932822  6.086506812176  6.080248576160  0.022900675405  -0.073015511080  0.011624940570  0.001321218699  0.001885687952  -0.001324223079
  30  Al  6.038662498751  4.003555178293  6.069980526688  0.131480420915  0.039814705622  0.082429567081  -0.004647367345  -0.004949720534  -0.000686852854
  31  Al  6.097804389233  6.066911145416  4.066970738545  -0.075727938382  0.057425568007  -0.137830328595  0.002288973551  -0.001064780817  0.002807919336


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)
  -82.095511421976  0.005414730337  -0.101893384676
  0.005414730337  -82.092399872634  0.058321688089
  -0.101893384676  0.058321688089  -81.550377776111
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.073128766601  8.094937170729  8.099110563554  -0.024066741996  0.109668671811  -0.072402485910  -0.001283571355  0.000946967760  0.001465592082
  1  Al  8.078098223323  1.999057144007  1.986524682209  0.017681422276  0.041450253439  0.051168890727  -0.003273083011  0.000949868914  -0.002875925923
  2  Al  2.012080638328  8.076615930563  2.022000573390  0.130334416470  -0.051509189305  0.106104000818  0.002219410499  -0.001276777104  0.000631930135
  3  Al  1.998523080786  2.040584803379  0.037434623838  -0.004630499901  0.005840374246  -0.248719984129  0.001729381434  -0.002506636184  0.000249529077
  4  Al  0.000712330046  8.095558004573  4.065061961382  0.052729722665  0.017617407755  -0.064224316403  0.001349810051  -0.001609403611  0.002988688378
  5  Al  0.016136221643  2.021291231414  6.063934087658  -0.088528987856  0.016157500433  0.091721831332  0.005239779686  -0.000974667264  -0.002541150064
  6  Al  2.006543406404  8.095984761905  6.065393361225  -0.029256917945  0.038669967290  0.016421775830  -0.004640768244  0.000668758252  -0.001097432873
  7  Al  2.021914411303  2.033709591775  4.074419084244  -0.021493746690  -0.043948024456  -0.040470375279  -0.000336926447  0.000822091372  0.002399820621
  8  Al  8.084165142722  4.065881497924  8.047085396019  -0.009921950470  -0.119639733037  -0.019535751070  -0.001909693148  0.002262812117  -0.001676471539
  9  Al  0.004887796574  6.054925069213  2.014099454203  0.057432609712  0.096001031056  0.104066504751  -0.001839051223  -0.006524081389  -0.003134193855
  10  Al  2.057767962895  4.012967399473  2.052016798864  -0.028240961847  0.229225691755  0.044812228431  -0.005540854353  -0.000064457275  -0.001892251604
  11  Al  2.069536926859  6.086636251484  8.095777979856  -0.054175270305  -0.002701691643  0.144899470415  0.005555615201  0.001104652989  -0.001909407177
  12  Al  0.023114369050  4.060561592269  4.143441890696  0.021650756295  -0.018061392637  -0.109512990022  0.002604752364  0.001027409827  0.009888912532
  13  Al  0.008840343736  6.069094566480  6.073850755706  -0.004719008175  -0.033055374172  0.014451125794  0.005022554378  -0.004479759782  0.001048057493
  14  Al  2.016674408558  4.050613987051  6.083769886262  -0.004822359848  -0.054745981895  -0.006313581630  -0.003519093529  -0.000578662439  -0.001811931986
  15  Al  2.052038578401  6.079640631742  4.020414409109  -0.018661616237  -0.058823495727  0.027054127637  0.001648106358  0.000238262582  -0.002995404772
  16  Al  4.062635744073  0.023876112208  0.002536921927  0.022900585450  -0.036739722474  0.093539702422  0.000690014393  0.002611947667  -0.004168412728
  17  Al  4.045853529960  2.021531698326  2.023999477155  0.070985726060  -0.083599256598  0.015452481212  0.000496935928  -0.002769927375  0.005675101020
  18  Al  6.078884854679  0.004924599654  1.988232292133  -0.071225945034  -0.035645882045  0.059739596662  -0.002628686328  0.002843245365  -0.000596132653
  19  Al  6.090807975034  2.072724334311  8.040111876104  -0.003089921511  -0.161156776936  0.092718921731  0.001544564266  0.004583497523  -0.005914249743
  20  Al  4.064856735589  0.009231249610  4.051510517711  -0.063304538189  -0.081762159899  -0.154652101230  -0.000829977112  -0.000241349547  -0.004063299976
  21  Al  4.060844386833  2.010997507934  6.085498242988  0.011024387014  0.143758638641  0.057275724017  0.001116791726  -0.001186577663  0.001149915410
  22  Al  6.037650336903  0.060516109370  6.085808830637  0.164852726509  0.017911953763  0.045518637309  -0.004048022277  -0.002854579637  0.000892235034
  23  Al  6.116256767710  1.993723989114  4.032794993492  -0.074054288598  0.072917778964  0.164527570765  0.004138919767  -0.004357497190  -0.001643133237
  24  Al  4.047508884906  4.045986104155  0.036320660932  0.044710425326  0.008140887731  -0.138841008690  -0.002963381377  -0.000157394061  -0.000481358785
  25  Al  4.032010147769  6.123124798213  2.070391957947  -0.039930330495  -0.019628062213  -0.027182706292  -0.001857580371  0.004786810867  0.004501121601
  26  Al  6.065554001988  4.080306903525  2.008088843662  -0.009701190738  -0.051460720361  0.041288789323  0.000601489835  0.000958571057  0.003362708997
  27  Al  6.055606806642  6.096648966808  0.043019109532  -0.025036085396  -0.037177618171  -0.157927815830  -0.001970810252  0.002128815655  0.004110099852
  28  Al  4.065381605012  4.062879011793  4.074891764093  -0.104344337028  0.055940762516  -0.078591744100  0.002723679731  -0.000388627248  -0.000281996419
  29  Al  4.051468565823  6.087446392385  6.079586984252  0.017143891099  -0.068745280815  0.012816537331  0.001324798654  0.001873014639  -0.001322038028
  30  Al  6.036344692206  4.001082097729  6.069640784833  0.147658676259  0.044454650549  0.082104434066  -0.004622412510  -0.004942186914  -0.000672143633
  31  Al  6.098945490997  6.066381321910  4.068368537247  -0.079900646876  0.060644792435  -0.147307489990  0.002275060468  -0.001054225411  0.002782428221


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)
  -82.007060623229  -0.001329908180  -0.117315965909
  -0.001329908180  -82.037417153446  0.049055102703
  -0.117315965909  0.049055102703  -81.394084380432
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.072485905149  8.095415556759  8.099840123230  -0.025458006486  0.108481360858  -0.075953537454  -0.001287998832  0.000966470216  0.001452329160
  1  Al  8.076462472171  1.999533931275  1.985089006478  0.017526830310  0.044970670706  0.053876866654  -0.003269935418  0.000957594883  -0.002866534908
  2  Al  2.013196169479  8.075975239569  2.022321281268  0.138658883401  -0.052275831186  0.106109488952  0.002243458306  -0.001286055410  0.000650901869
  3  Al  1.999387564521  2.039331746349  0.037548270683  -0.008273831509  0.009106339163  -0.257366984887  0.001728227796  -0.002505299959  0.000204285266
  4  Al  0.001389592071  8.094754090260  4.066553434768  0.053151105231  0.018187327845  -0.066191901488  0.001359275720  -0.001606202694  0.002977029262
  5  Al  0.018752154271  2.020804620016  6.062667612559  -0.095211927766  0.025175805266  0.094369218902  0.005223353380  -0.000970972097  -0.002524513658
  6  Al  2.004221714509  8.096320869564  6.064845378836  -0.014533922280  0.034421153730  0.014967005027  -0.004644683113  0.000675292546  -0.001094626738
  7  Al  2.021744987317  2.034118673000  4.075617185543  -0.019138605154  -0.046711304373  -0.040418801566  -0.000340558950  0.000813986493  0.002392589187
  8  Al  8.083209852641  4.067007556130  8.046246287008  -0.008971846273  -0.124871157523  -0.023294495073  -0.001911382240  0.002240953019  -0.001680300532
  9  Al  0.003970838180  6.051667319730  2.012537009011  0.057343659455  0.099956835615  0.108704834510  -0.001828790307  -0.006506562897  -0.003115172250
  10  Al  2.054996273358  4.012945417141  2.051072676153  -0.023491472069  0.233966090656  0.049723460526  -0.005545479195  -0.000023048263  -0.001883800181
  11  Al  2.072312312844  6.087188457214  8.094829753222  -0.057602831759  -0.000382100358  0.146620678649  0.005545622319  0.001104377301  -0.001883345486
  12  Al  0.024417713013  4.061074489845  4.148381451771  0.015124421883  -0.020398552081  -0.112312472108  0.002608040038  0.001023971536  0.009869081496
  13  Al  0.011351409987  6.066853209026  6.074375430413  -0.006887352611  -0.034041383768  0.011271766978  0.005021516778  -0.004485758184  0.001050357101
  14  Al  2.014914646236  4.050322208706  6.082863638054  -0.006102506955  -0.055988683793  -0.003917560722  -0.003520070204  -0.000588562039  -0.001812846643
  15  Al  2.052861797412  6.079757133644  4.018917916033  -0.019431644768  -0.062276314408  0.037977299486  0.002916271613  0.004011480080  0.001024101277
  16  Al  4.062981774917  0.025180443789  0.000456896754  0.018043888598  -0.042353632360  0.097887716752  0.000693674799  0.002604876778  -0.004151299254
  17  Al  4.046105170960  2.020142997782  2.026837718385  0.070252068307  -0.085873247357  0.011733572910  0.000509562485  -0.002785078095  0.005677531434
  18  Al  6.077567327741  0.006344628978  1.987936896145  -0.074819153025  -0.042244596683  0.063124700535  -0.002641742654  0.002836282012  -0.000585148674
  19  Al  6.091580119049  2.075008879422  8.037158895735  -0.002429190756  -0.169752337411  0.100434356095  0.001544070861  0.004553914486  -0.005896981979
  20  Al  4.064438917344  0.009106920097  4.049471954830  -0.063360843634  -0.083243469433  -0.149819340503  -0.000841300906  -0.000256100931  -0.004090519503
  21  Al  4.061403275483  2.010410645062  6.086075760897  0.007518778728  0.139090384633  0.052427150832  0.001118449472  -0.001161291164  0.001159722768
  22  Al  6.035633694622  0.059089620210  6.086256982820  0.165924478272  0.023964177029  0.043864321819  -0.004018451032  -0.002850835941  0.000900225806
  23  Al  6.118322917394  1.991548499918  4.031980781197  -0.078539307381  0.079631096730  0.172270197207  0.004125278009  -0.004343859430  -0.001613023759
  24  Al  4.046029192757  4.045907771020  0.036073775397  0.048347404773  0.008569501164  -0.140049001754  -0.002955062074  -0.000155900164  -0.000506291351
  25  Al  4.031079572712  6.125517326279  2.072641303691  -0.038031519578  -0.016160694917  -0.029720824430  -0.001991312994  0.001994502024  0.000096144161
  26  Al  6.065854313265  4.080783888778  2.009772043754  -0.005803816008  -0.053959402740  0.039507427466  0.000600103698  0.000949146574  0.003369932121
  27  Al  6.054620282412  6.097711712809  0.045067100142  -0.024147448510  -0.040510708015  -0.162463142019  -0.001975207225  0.002121870374  0.004081457131
  28  Al  4.066738780723  4.062687198701  4.074747252861  -0.109713023077  0.057317644023  -0.079475598784  0.002704543158  -0.000378502028  -0.000296127525
  29  Al  4.052131731476  6.088379826816  6.078926538132  0.011174889853  -0.063862679462  0.012902859018  0.001327330333  0.001861159583  -0.001319738733
  30  Al  6.034040086240  3.998612991379  6.069308383055  0.162289464433  0.048823887301  0.077218856732  -0.004594703370  -0.004933847880  -0.000657900246
  31  Al  6.100079449701  6.065856920005  4.069753166765  -0.083407623647  0.063243821150  -0.154008118263  -0.002500694601  -0.000405521945  -0.000133170994


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)
  -81.911141436593  -0.003554635087  -0.126762086352
  -0.003554635087  -81.994292216887  0.029602694034
  -0.126762086352  0.029602694034  -81.234778249834
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.071840767769  8.095903640945  0.000566644971  -0.025952846318  0.107973136328  -0.076472598840  -0.001292594926  0.000985821092  0.001438702374
  1  Al  8.074828287905  2.000014738889  1.983658147301  0.015018927894  0.048146675049  0.054490562024  -0.003267025851  0.000965919506  -0.002856846938
  2  Al  2.014324096634  8.075329875153  2.022651475259  0.146170316873  -0.052939892816  0.102966933693  0.002268921832  -0.001295461620  0.000669593150
  3  Al  2.000251308582  2.038079503420  0.037638909105  -0.011708179794  0.012038495536  -0.263959819794  0.001726441419  -0.002503409626  0.000157679025
  4  Al  0.002071605767  8.093951801880  4.068038990645  0.053899238337  0.021415119472  -0.072360151992  0.001368845944  -0.001602662263  0.002964642808
  5  Al  0.021359575023  2.020320259317  6.061409574001  -0.100300219936  0.034600776864  0.101794746982  0.005205874735  -0.000965628113  -0.002506976740
  6  Al  2.001898723291  8.096660054450  6.064298734487  -0.000645404566  0.031406416062  0.017303688106  -0.005244712326  0.000813818021  -0.004517417209
  7  Al  2.021573852354  2.034523578269  4.076811673431  -0.018062852767  -0.050615276626  -0.042036690365  -0.000343884733  0.000805285567  0.002385217725
  8  Al  8.082253760482  4.068122450943  8.045405095486  -0.009740136248  -0.129959114256  -0.022869060216  -0.001913055078  0.002218171376  -0.001684427521
  9  Al  0.003059006267  6.048418506316  2.010984281952  0.056074596335  0.103316489443  0.108983536582  -0.001818650796  -0.006488390408  -0.003095711067
  10  Al  2.052222483700  4.012944351209  2.050132998683  -0.018831253795  0.239260496901  0.050809374420  -0.005549262817  0.000019257853  -0.001874812618
  11  Al  2.075082549177  6.087740628784  8.093894634371  -0.061697407883  0.002162382098  0.150005782042  0.005534956963  0.001104536457  -0.001856827293
  12  Al  0.025722409089  4.061585563805  4.153310972192  0.007264133641  -0.024618827424  -0.120117085223  0.002610041559  0.001019947015  0.009848302461
  13  Al  0.013861860513  6.064608808296  6.074901112808  -0.008463364656  -0.033598230289  0.012230842326  0.005020144434  -0.004491805117  0.001052458218
  14  Al  2.013154338354  4.050025425013  6.081957039619  -0.007021612821  -0.058467618181  0.002958085959  -0.003521243491  -0.000598794350  -0.001812932419
  15  Al  2.054319064631  6.081760089955  4.019431664243  -0.020304989421  -0.069882063952  0.039579208403  0.002912719187  0.003999665216  0.001031034773
  16  Al  4.063329418872  0.026480988986  8.098381870417  0.011395826610  -0.048836447025  0.104728108992  0.001387042079  -0.001494363933  -0.000019326167
  17  Al  4.046363092444  2.018746620231  2.029677008589  0.070632726917  -0.087026651173  0.005579583356  0.000522157484  -0.002800535221  0.005679079217
  18  Al  6.076243112025  0.007760881666  1.987647143459  -0.077108180800  -0.047430877427  0.063764797103  -0.002655324849  0.002828265090  -0.000573804844
  19  Al  6.092352045896  2.077278248797  8.034214894125  0.000779635182  -0.177358848782  0.111487883725  -0.000777335234  -0.004314429775  0.004932516604
  20  Al  4.064015434684  0.008975148679  4.047419998208  -0.064729477344  -0.083617070532  -0.149681945914  0.002439952678  0.001391514399  -0.002577606461
  21  Al  4.061962836305  2.009836216770  6.086657965756  0.001686178132  0.134452850660  0.049800083013  0.001119272388  -0.001136836595  0.001168861809
  22  Al  6.033631885871  0.057665273430  6.086709056443  0.167787596467  0.030682354981  0.045999333475  -0.003988617413  -0.002845950580  0.000908259552
  23  Al  6.120382045720  1.989380129684  4.031181969733  -0.081632407833  0.087092961789  0.172933437018  0.004110958773  -0.004328954419  -0.001582162802
  24  Al  4.044553822832  4.045830203991  0.035814369581  0.052291544366  0.010379505644  -0.137900441389  -0.002946065024  -0.000154206137  -0.000531139831
  25  Al  4.030082216220  6.126513854914  2.072688047261  -0.037325296385  -0.009898019146  -0.030016786482  -0.001998049839  0.001992172394  0.000090803662
  26  Al  6.066154105686  4.081256050100  2.011458775783  -0.000925005781  -0.057244300328  0.032928337932  0.000599502146  0.000939205043  0.003376407826
  27  Al  6.053631599418  6.098770837182  0.047100566663  -0.022813184679  -0.046818772272  -0.162308637479  -0.001979405472  0.002114063182  0.004052422768
  28  Al  4.068086148169  4.062500509765  4.074595636567  -0.115421247538  0.057720296672  -0.084327022040  0.002684416316  -0.000368217719  -0.000310771362
  29  Al  4.052795896156  6.089307551968  6.078267245519  0.003644943851  -0.059794731167  0.018426476571  0.003085375220  -0.004679578945  0.004908349040
  30  Al  6.031749988836  3.996148249849  6.068982884587  0.176440340045  0.053099181012  0.077358127647  -0.004564421169  -0.004924736031  -0.000644081174
  31  Al  6.098825374110  6.065656986009  4.069679697161  -0.080402936087  0.064359602883  -0.162078689635  -0.002515339148  -0.000394114291  -0.000161428928


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)
  -81.797106335290  -0.029756960961  -0.111614462453
  -0.029756960961  -81.992584212399  0.047612273748
  -0.111614462453  0.047612273748  -81.097298932659
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.071193310224  8.096401377851  0.001282577860  -0.028822482267  0.102540057377  -0.080115515395  -0.001297491800  0.001004640820  0.001424703509
  1  Al  8.073195446320  2.000499850781  1.982232159541  0.011374446644  0.048429595552  0.062477040117  -0.003264666302  0.000974553355  -0.002846390118
  2  Al  2.015465091310  8.074679777949  2.022990874419  0.153477212112  -0.052062129911  0.103376893880  0.002295710105  -0.001304848725  0.000688040140
  3  Al  2.001114005940  2.036828336724  0.037705949708  -0.012310568934  0.016273182982  -0.272955876102  0.001724294160  -0.002500878582  0.000109679148
  4  Al  0.002758438015  8.093151427996  4.069518077576  0.049871339828  0.026455934183  -0.075817849454  0.001378122959  -0.001598382626  0.002951395802
  5  Al  0.023958029006  2.019838991903  6.060160635819  -0.105795738961  0.043062518663  0.102917011323  0.005187449904  -0.000958685071  -0.002488675656
  6  Al  1.999276338279  8.097068367317  6.062040799351  0.014053820708  0.022715070189  0.024764561904  -0.005243513623  0.000818656443  -0.004513656338
  7  Al  2.021401102584  2.034923958567  4.078002403268  -0.019256583241  -0.048423575989  -0.039490054321  -0.000347221064  0.000796431565  0.002377929293
  8  Al  8.081296797563  4.069225727506  8.044561859487  -0.010391422538  -0.136381098490  -0.031178530726  -0.001914854825  0.002194360753  -0.001689259337
  9  Al  0.002152187384  6.045178929322  2.009441297944  0.051383526575  0.112912538037  0.113698957822  -0.001809044117  -0.006469059689  -0.003075803412
  10  Al  2.049447010541  4.012964674994  2.049197863535  -0.010562225199  0.239588919780  0.057541307521  -0.000225369573  0.000036225490  -0.003980680028
  11  Al  2.077847269807  6.088292993670  8.092972925929  -0.063526676699  0.003067430916  0.141106186417  0.005523762020  0.001105003998  -0.001830802093
  12  Al  0.027027754573  4.062094436859  4.158229754232  0.001685870840  -0.033155447222  -0.122693928272  -0.002711884421  -0.003996652337  0.000978926210
  13  Al  0.016371554421  6.062361403909  6.075427888631  -0.008842519693  -0.032360701017  0.014026041473  0.005018597301  -0.004497701798  0.001054805564
  14  Al  2.011393402745  4.049723414356  6.081050705635  -0.006129434188  -0.060049144730  0.007724708065  -0.000988750100  -0.001930795268  0.000257851922
  15  Al  2.055774516599  6.083756798860  4.019948950805  -0.019854309269  -0.077103009799  0.047792348715  0.002909128974  0.003986524856  0.001038845727
  16  Al  4.064023449301  0.025731624048  8.098376888642  0.005460159872  -0.054225891251  0.103856096714  0.001388548992  -0.001503577631  -0.000000678889
  17  Al  4.046627328444  2.017342462560  2.032516797603  0.071411923907  -0.089313683148  0.004275434222  0.000534856174  -0.002816299920  0.005679960249
  18  Al  6.074912002892  0.009172894068  1.987363091301  -0.077822355688  -0.053087592082  0.067636790570  -0.002669175527  0.002819278811  -0.000562057636
  19  Al  6.091963413128  2.075113106033  8.036686135896  0.006260441249  -0.174019681819  0.104753758169  -0.000776705856  -0.004345842762  0.004951848451
  20  Al  4.065232517639  0.009667168225  4.046124504248  -0.067659620192  -0.088120595872  -0.150051791233  0.002428117188  0.001376161175  -0.002604402442
  21  Al  4.062522547871  2.009273808466  6.087244622706  -0.006222557972  0.132305528081  0.047293619582  0.001118866839  -0.001112988588  0.001177541916
  22  Al  6.031645077209  0.056243669630  6.087165242372  0.173598049231  0.033161572406  0.047926098341  -0.003958097782  -0.002840242979  0.000916656418
  23  Al  6.122433876167  1.987219545499  4.030398618394  -0.080718584686  0.092195845368  0.174007707086  0.004096444711  -0.004312926129  -0.001551146514
  24  Al  4.043083127733  4.045753564883  0.035542635566  0.052854132168  0.013851500564  -0.140386435655  -0.002936665077  -0.000152039902  -0.000556018478
  25  Al  4.029081522874  6.127509498673  2.072732107352  -0.033333878619  -0.002974769792  -0.029681412403  -0.002004366718  0.001991021576  0.000085466686
  26  Al  6.066453815412  4.081723093822  2.013148451581  0.001429085706  -0.062816628931  0.031949839719  0.000599547211  0.000928471683  0.003382207889
  27  Al  6.052640876941  6.099825775991  0.049119522909  -0.022260353946  -0.049041072961  -0.165791307834  -0.001983435014  0.002105493380  0.004023090869
  28  Al  4.069423197039  4.062318980982  4.074436481499  -0.124863730574  0.054075304545  -0.084199713474  0.002662935012  -0.000358223273  -0.000325837531
  29  Al  4.054338746694  6.086965089693  6.080722243696  -0.009284599130  -0.049365983136  0.019602563084  0.003084871039  -0.004689337834  0.004911748808
  30  Al  6.029475665071  3.993688255348  6.068664301881  0.191201174053  0.053661515885  0.080968515053  -0.004531554282  -0.004915191702  -0.000629926886
  31  Al  6.097564110553  6.065462805714  4.069591737838  -0.076403541098  0.068204491623  -0.165333064907  -0.002529357534  -0.000382263156  -0.000190699303


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)
  -81.662851835865  -0.062743610741  -0.127953548425
  -0.062743610741  -81.998178463315  0.050092580148
  -0.127953548425  0.050092580148  -81.029832407026
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.070543275969  8.096908281765  0.001991348480  -0.027477865108  0.097377428941  -0.078207070053  -0.001302525011  0.001022513300  0.001410549584
  1  Al  8.071563621602  2.000989292245  1.980811757183  0.008033085996  0.048415647663  0.068110252353  -0.003262931283  0.000983211250  -0.002834715708
  2  Al  2.016619806739  8.074025026428  2.023339515399  0.156513939905  -0.050379155528  0.098291422199  0.002772806574  -0.002200758681  -0.001282508197
  3  Al  2.001975602742  2.035578624838  0.037748588253  -0.013556702408  0.019636017560  -0.275233153678  0.001721981644  -0.002497668325  0.000060671444
  4  Al  0.003449728726  8.092353419254  4.070990386446  0.044748762829  0.034181314147  -0.085120442401  0.001386581928  -0.001592961699  0.002937008034
  5  Al  0.026547024927  2.019361574247  6.058920898344  -0.109553387589  0.047883919358  0.104530006708  0.005168197847  -0.000950554524  -0.002470130042
  6  Al  1.996655209668  8.097478710894  6.059785078148  0.026273229542  0.015467724350  0.034715577503  -0.005239908414  0.000822069958  -0.004508338856
  7  Al  2.021226631289  2.035320009833  4.079189602724  -0.020921541274  -0.047321925027  -0.043080076138  -0.000350812960  0.000787871986  0.002370547583
  8  Al  8.080338905658  4.070316811696  8.043715836150  -0.009840277049  -0.143132889559  -0.029540191715  -0.001916663524  0.002169372404  -0.001694687547
  9  Al  0.001249962150  6.041949446627  2.007908478540  0.046607967057  0.122244464471  0.113769470521  -0.001800283748  -0.006448036822  -0.003055467898
  10  Al  2.049333853627  4.012993497277  2.047210095597  -0.007345266174  0.240013973450  0.060864395337  -0.000226970490  0.000079101643  -0.003970094643
  11  Al  2.080606311197  6.088845632782  8.092063832278  -0.064828418445  0.003238527255  0.139686339810  0.005512287167  0.001105567746  -0.001805699443
  12  Al  0.025671887720  4.060094628654  4.158713732963  0.003237704153  -0.036704713044  -0.121616783830  -0.002711444257  -0.004002897785  0.000957085008
  13  Al  0.018880457814  6.060111106499  6.075955918372  -0.007869738197  -0.030990362812  0.015390939806  -0.010289888674  -0.000072008945  0.002505066514
  14  Al  2.010898753712  4.048755332547  6.081179976887  -0.008657653059  -0.060660380696  0.010908810195  -0.000990072055  -0.001941586612  0.000259517745
  15  Al  2.057228193606  6.085746614811  4.020470509970  -0.019511443786  -0.084858301595  0.049200587239  0.002905609704  0.003972045631  0.001047516826
  16  Al  4.064717967864  0.024977411355  8.098381191528  0.000579201454  -0.059539601254  0.110280644656  0.001389088907  -0.001513748185  0.000018464782
  17  Al  4.046897948618  2.015930320311  2.035356968837  0.074317001430  -0.088661551533  -0.000256093003  0.000547884235  -0.002832210778  0.005680319575
  18  Al  6.073573936498  0.010580160477  1.987085085823  -0.077022431887  -0.057166933112  0.069730772560  -0.002683018540  0.002809422135  -0.000549777075
  19  Al  6.091575340040  2.072932406035  8.039166742577  0.010287209636  -0.170718319531  0.106593139593  -0.000775226508  -0.004376662092  0.004970742712
  20  Al  4.066443551872  0.010351309854  4.044815595766  -0.067460288617  -0.091096856699  -0.151479801385  -0.003938552759  -0.001824769624  0.002414131186
  21  Al  4.063081703145  2.008723228182  6.087835507672  -0.012694896663  0.130403590328  0.045346543187  0.001117175632  -0.001089502582  0.001185823880
  22  Al  6.029673788089  0.054825030451  6.087625712861  0.177127061817  0.036206944074  0.048983469701  -0.003926743210  -0.002834041483  0.000925320064
  23  Al  6.124478490431  1.985067203555  4.029630823220  -0.081490492233  0.095509263119  0.168384915211  0.004081943337  -0.004296145427  -0.001520536860
  24  Al  4.041617157755  4.045678164089  0.035258351103  0.054145271391  0.019845898554  -0.136896109731  -0.002927099407  -0.000149027379  -0.000580807338
  25  Al  4.028077849502  6.128504876489  2.072773513947  -0.027436793168  -0.001617829064  -0.034524354087  -0.002009799572  0.001990611001  0.000079726736
  26  Al  6.066753652897  4.082184521782  2.014840983672  0.001577278933  -0.067956497302  0.028887124675  0.000599815978  0.000916780659  0.003387646670
  27  Al  6.051648164404  6.100876330562  0.051123657532  -0.025024041255  -0.053342164373  -0.161573842260  -0.001987662204  0.002096340393  0.003993824660
  28  Al  4.070749083181  4.062142286492  4.074269799037  -0.130359388941  0.049526920548  -0.090955204019  0.002640118248  -0.000348961308  -0.000341496254
  29  Al  4.055880767195  6.084618214135  6.083178994327  -0.019525003394  -0.041396411963  0.024375836962  0.003082295481  -0.004697451927  0.004915680446
  30  Al  6.027218434554  3.991233058148  6.068352957701  0.201499934970  0.054470668240  0.085381746207  -0.004496447086  -0.004905524762  -0.000615055293
  31  Al  6.096296016576  6.065274722852  4.069488997858  -0.074372019866  0.071121591036  -0.174948872123  -0.002542836760  -0.000369807505  -0.000221120263


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)
  -81.547858578361  -0.091951181583  -0.133795618500
  -0.091951181583  -81.996378595788  0.039649765594
  -0.133795618500  0.039649765594  -80.974599335487
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.069890785212  8.097423891151  0.002693127444  -0.024660780488  0.095124900067  -0.082800795631  -0.001307186168  0.001039722869  0.001396155596
  1  Al  8.069932515037  2.001483062032  1.979397443832  0.015687100747  0.049735179203  0.077277868479  -0.003260810715  0.000991985864  -0.002821718115
  2  Al  2.018013206143  8.072922395158  2.022702654892  0.154019931211  -0.043744102527  0.099997387517  0.002800568079  -0.002209173232  -0.001264781320
  3  Al  2.002835987585  2.034330668398  0.037766621152  -0.018935094310  0.019614441408  -0.280178098618  0.001719076901  -0.002494159362  0.000011018077
  4  Al  0.004145019944  8.091558466297  4.072455085610  0.043238632029  0.042461082048  -0.087785151800  0.000269816149  -0.001716877935  0.001195877182
  5  Al  0.029126226854  2.018888437378  6.057690505777  -0.114359519463  0.048318134160  0.104355693217  0.001711059129  -0.000121083972  0.003121643068
  6  Al  1.994036429865  8.097890437274  6.057532460494  0.034851805352  0.011009388555  0.042880684504  -0.001091536253  -0.000490159290  0.000961966638
  7  Al  2.021050289624  2.035711830553  4.080372950851  -0.025866104689  -0.048026232558  -0.044286982020  -0.000354995742  0.000779347929  0.002362737031
  8  Al  8.079380134039  4.071395099910  8.042867171941  -0.008705562353  -0.149317094368  -0.032086418937  -0.001918321509  0.002143227586  -0.001700196921
  9  Al  0.000351903635  6.038730892500  2.006385830046  0.042515186844  0.129673017259  0.118057120292  -0.001792316203  -0.006425515580  -0.003034742768
  10  Al  2.049220040051  4.013043776637  2.045227768892  -0.006509858684  0.237768060703  0.069036808232  -0.000228209128  0.000121815013  -0.003958481569
  11  Al  2.083359556974  6.089398561416  8.091167226485  -0.068131894135  0.004573063384  0.134432125564  0.005500400611  0.001106266097  -0.001781193450
  12  Al  0.024316310315  4.058091539074  4.159186839240  0.003899658106  -0.039772933299  -0.119775098134  -0.002710806182  -0.004009734832  0.000935504748
  13  Al  0.013735161702  6.060073716768  6.077209139598  0.007735506940  -0.033237317358  0.013096214320  -0.010289900675  -0.000077750854  0.002507613245
  14  Al  2.010403330691  4.047781827744  6.081310223380  -0.012340897036  -0.061380370667  0.010311510688  -0.000991949310  -0.001952496968  0.000261414827
  15  Al  2.058680126303  6.087728844491  4.020996467631  -0.021314549356  -0.092170727871  0.052994700015  0.002901959890  0.003956219364  0.001056653011
  16  Al  4.065412538208  0.024217875864  8.098395353424  -0.004435419387  -0.065199164105  0.107818311638  0.001388744164  -0.001524899740  0.000037962671
  17  Al  4.047175212679  2.014510251782  2.038197117178  0.074084241521  -0.088335718364  -0.000557084442  0.000561151199  -0.002848034207  0.005680246877
  18  Al  6.072228984353  0.011982316203  1.986813314226  -0.078794844759  -0.066526569995  0.075724863763  -0.002696948492  0.002798364025  -0.000536773446
  19  Al  6.091188186620  2.070736443942  8.041656878607  0.013189477004  -0.165910500066  0.096175902518  -0.000773127709  -0.004406756466  0.004988870118
  20  Al  4.064471260042  0.009434853045  4.046015890267  -0.059645788940  -0.090486939455  -0.150848810269  -0.003949915951  -0.001841003084  0.002387103226
  21  Al  4.063639723504  2.008184305884  6.088430446587  -0.019356813947  0.127253341845  0.040079574244  0.001114310233  -0.001066468238  0.001193460914
  22  Al  6.027718334000  0.053409628146  6.088090562436  0.178702343740  0.038514636012  0.047100257185  0.002077602485  -0.004159123091  -0.004977036909
  23  Al  6.126515819504  1.982923400071  4.028878081535  -0.085047519173  0.099292098068  0.173315550386  0.004067054958  -0.004278730326  -0.001489989084
  24  Al  4.040156028326  4.045604537504  0.034961828228  0.060139491635  0.027328718565  -0.137526510804  -0.002916882431  -0.000144810002  -0.000605340523
  25  Al  4.027071723301  6.129500109673  2.072811834089  -0.021217539701  -0.003879408217  -0.034495319137  -0.002014149235  0.001990119551  0.000073556427
  26  Al  6.067053631390  4.082639874481  2.016536098250  -0.000496824262  -0.067653613730  0.029545698451  0.000599912570  0.000904657213  0.003392870522
  27  Al  6.050653214736  6.101922116383  0.053113347569  -0.031289652112  -0.059524204434  -0.164407160706  -0.001992696608  0.002086250221  0.003964682193
  28  Al  4.072063315287  4.061970019673  4.074094985245  -0.134113487641  0.046883079683  -0.092923360772  0.002616474564  -0.000340342324  -0.000357934866
  29  Al  4.057421042175  6.082267637766  6.085637924141  -0.023380494326  -0.032422533311  0.026201707434  0.003078459761  -0.004704051287  0.004920202042
  30  Al  6.024979217986  3.988782730586  6.068049246588  0.207613307345  0.057342761030  0.088074981010  -0.004459872656  -0.004895528722  -0.000599548386
  31  Al  6.095021273793  6.065092998210  4.069370617575  -0.077074037712  0.072695528337  -0.178806168187  -0.002556375929  -0.000356950358  -0.000252745709


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)
  -81.465697945681  -0.103695852907  -0.138048121011
  -0.103695852907  -82.011422573371  0.027028300429
  -0.138048121011  0.027028300429  -80.931579080554
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.069236089800  8.097948004634  0.003387504076  -0.020079174017  0.092923411680  -0.080473679323  -0.001311185888  0.001056534253  0.001381558976
  1  Al  8.068302810887  2.001981278108  1.977990039068  0.023345777901  0.049091355381  0.078562208672  -0.003257321204  0.001000820885  -0.002807786124
  2  Al  2.019420374818  8.071815853196  2.022074734079  0.150754624968  -0.037435504955  0.093478913327  0.002827814705  -0.002216430631  -0.001247484678
  3  Al  2.003694679643  2.033084465476  0.037759606330  -0.026100423411  0.020684591537  -0.278249402248  0.001715050758  -0.002490556658  -0.000038904939
  4  Al  0.004281860770  8.090701925324  4.073049100237  0.042509247405  0.049462715965  -0.092067273805  0.000277481948  -0.001708660014  0.001179798504
  5  Al  0.029976644589  2.018830055196  6.059255991972  -0.113136415493  0.047856988272  0.101393738189  0.001690721157  -0.000112485985  0.003140036919
  6  Al  1.993492219602  8.097645849745  6.058015360564  0.034767499152  0.008325299936  0.048660008209  -0.006648864571  -0.001320199940  0.002205417287
  7  Al  2.020871635548  2.036099357762  4.081552339754  -0.031466790208  -0.049055048047  -0.049303733266  -0.000360121261  0.000770668932  0.002354370088
  8  Al  8.078420584149  4.072460039282  8.042015639228  -0.003255739505  -0.155510034714  -0.029900816124  -0.001919390840  0.002115976260  -0.001705738536
  9  Al  8.099453893691  6.035523931047  2.004873735773  0.041151981734  0.138321890333  0.118192341190  -0.001784836418  -0.006401557029  -0.003013622236
  10  Al  2.049105644499  4.013115312291  2.043251614028  -0.008372069867  0.235916712609  0.071786928056  -0.000229539562  0.000164162091  -0.003945892028
  11  Al  2.086106711808  6.089951898879  8.090282638828  -0.074730692200  0.004828906501  0.136068482706  0.005487628798  0.001107106626  -0.001757010890
  12  Al  0.022961081538  4.056084893822  4.159649237710  0.002459382069  -0.041210175760  -0.120084699307  -0.002710237688  -0.004016974664  0.000914061455
  13  Al  0.008590557139  6.060033355645  6.078463531617  0.020855633490  -0.035302105409  0.014914313576  -0.004545405044  -0.002252425746  -0.009122539060
  14  Al  2.009906804402  4.046802835580  6.081441391714  -0.016829588396  -0.061291998512  0.017686391291  -0.000994557130  -0.001963463789  0.000263917819
  15  Al  2.060130153495  6.089702834174  4.021527162981  -0.022678411268  -0.099274256157  0.051914228751  0.002898026951  0.003939104320  0.001066031794
  16  Al  4.066106712028  0.023452511614  8.098419154199  -0.007289950890  -0.068666710161  0.109741229010  0.001387695924  -0.001536867253  0.000057412338
  17  Al  4.047459099817  2.013082286104  2.041037215715  0.075350754858  -0.088341081752  -0.005571746830  0.000574510580  -0.002863828986  0.005679698964
  18  Al  6.070876988006  0.013378524502  1.986548312377  -0.079224606265  -0.074257802178  0.079247235418  -0.002711075317  0.002785778004  -0.000522919052
  19  Al  6.090802212331  2.068525649569  8.044155612695  0.015202532252  -0.163816933003  0.091938891883  -0.000770589484  -0.004436233861  0.005005687445
  20  Al  4.062493635921  0.008510306769  4.047202698992  -0.048192898733  -0.092048389432  -0.154201997387  -0.003959556652  -0.001857321611  0.002359831903
  21  Al  4.064196013377  2.007656759944  6.089028968586  -0.021410588302  0.123211568273  0.039508427003  0.001110665656  -0.001044076855  0.001200576024
  22  Al  6.028765123173  0.051331788191  6.085604149346  0.170386562463  0.041913588206  0.056553629630  0.002108810782  -0.004151932866  -0.004967770326
  23  Al  6.128545545389  1.980788473229  4.028140834136  -0.090256487522  0.103360649695  0.173214165004  0.001144857332  -0.000657445390  -0.004966736607
  24  Al  4.038700275324  4.045533354087  0.034653010581  0.065942315591  0.033299009716  -0.132342909845  -0.002905610809  -0.000139389927  -0.000629466655
  25  Al  4.026063700268  6.130494996041  2.072847070374  -0.013297200192  -0.007114497023  -0.037933984976  -0.002017234828  0.001989136704  0.000067081300
  26  Al  6.067353565466  4.083089178995  2.018233854194  -0.005870532261  -0.067718220531  0.026528034653  0.000599343332  0.000892555068  0.003397883473
  27  Al  6.049655467796  6.102962580783  0.055088339725  -0.036227192690  -0.064821867412  -0.163698164227  -0.001998732565  0.002075133771  0.003935349813
  28  Al  4.073365557745  4.061801944168  4.073911864171  -0.133058377662  0.046449363856  -0.098405167401  0.002592589591  -0.000331998471  -0.000375039498
  29  Al  4.058959226956  6.079914162847  6.088099196369  -0.023425430433  -0.024620435414  0.027347067687  0.003074275345  -0.004709150888  0.004924989264
  30  Al  6.022758561898  3.986337529426  6.067753409315  0.213749205486  0.061848281940  0.090236600104  0.007279721093  -0.000061205068  -0.001743132968
  31  Al  6.093739640647  6.064917772495  4.069236252149  -0.081572948055  0.072990726562  -0.184739259620  -0.002570558855  -0.000343926111  -0.000285246409


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)
  -81.389438376488  -0.136241920182  -0.149659282413
  -0.136241920182  -82.029356042703  0.035708249209
  -0.149659282413  0.035708249209  -80.879476084337
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.068579599324  8.098480425404  0.004074686419  -0.012955974229  0.091409208781  -0.085276424765  -0.001314139207  0.001073013457  0.001366741036
  1  Al  8.066675193833  2.002483882917  1.976589657708  0.028214184647  0.050962902568  0.083781130807  -0.003252711781  0.001009765663  -0.002793272747
  2  Al  2.020841020848  8.070705964527  2.021455170214  0.149903025406  -0.030641977038  0.090076697444  0.002854693283  -0.002222516709  -0.001231074938
  3  Al  2.004551038343  2.031840111741  0.037727716213  -0.029995483555  0.019234281784  -0.279987713504  0.001710035825  -0.002486987939  -0.000088810936
  4  Al  0.004422501892  8.089849806283  4.073634884115  0.040525744826  0.055763227386  -0.092986820533  0.000284905216  -0.001699252890  0.001163254801
  5  Al  0.030816948010  2.018775951393  6.060830542695  -0.111699248774  0.049549633147  0.093762662284  0.001670621010  -0.000103777903  0.003157483761
  6  Al  1.990169341411  8.096986121913  6.059120244293  0.043143495932  0.005092035157  0.051451575194  -0.006641899384  -0.001319000440  0.002214367190
  7  Al  2.020690168363  2.036482499486  4.082727320939  -0.037307123391  -0.048972449548  -0.053546602989  -0.000366269599  0.000761905345  0.002345175342
  8  Al  8.077460743199  4.073511076169  8.041161433405  0.002697919561  -0.160888036439  -0.035239292597  -0.001919440709  0.002087690500  -0.001711562014
  9  Al  8.098563314961  6.032329335471  2.003372207810  0.039731209748  0.145289131985  0.126546099300  -0.001777605519  -0.006376202407  -0.002991742795
  10  Al  2.048990500490  4.013207938728  2.041281876864  -0.006231290353  0.231237064719  0.080454566202  -0.000230845092  0.000205925303  -0.003932281748
  11  Al  2.088847185772  6.090505668042  8.089410215595  -0.080193536944  0.006643816955  0.131263366794  0.005473778684  0.001108132279  -0.001733111615
  12  Al  0.021606072627  4.054074564410  4.160100900695  0.001277644076  -0.043273772222  -0.119576017780  -0.002709903601  -0.004024527468  0.000892635959
  13  Al  0.006318786857  6.058905564780  6.073902928751  0.031219105196  -0.037304272910  0.025173193053  -0.004540749600  -0.002258916704  -0.009118955265
  14  Al  2.009408773561  4.045818363955  6.081574141199  -0.025191050362  -0.059269133641  0.019348030698  -0.000998313745  -0.001974241868  0.000267228670
  15  Al  2.061578153254  6.091667948811  4.022062499425  -0.026158138497  -0.106182650588  0.057201729087  0.002893660998  0.003920736620  0.001075786682
  16  Al  4.066800234132  0.022681008611  8.098452765761  -0.012887444506  -0.067586641276  0.111759173252  0.001385892079  -0.001549048205  0.000077214314
  17  Al  4.047749723259  2.011646422796  2.043876816142  0.077121722628  -0.089354201295  -0.007809682543  0.000588141510  -0.002879714816  0.005678502674
  18  Al  6.069517909036  0.014768094207  1.986290395174  -0.088110768573  -0.078141234760  0.087868820705  -0.002726034979  0.002772153640  -0.000507978997
  19  Al  6.090417597137  2.066300210081  8.046662566053  0.014138790890  -0.159481370406  0.086600095683  -0.000767966391  -0.004465136497  0.005021648702
  20  Al  4.060511703390  0.007577531434  4.048375722170  -0.036738205648  -0.094807354508  -0.161017665313  -0.003967149432  -0.001874026380  0.002331651492
  21  Al  4.064750389160  2.007140229029  6.089631022611  -0.022394009346  0.120739736488  0.041376053555  0.001106749557  -0.001022267784  0.001207807038
  22  Al  6.029827144782  0.049257695281  6.083122792110  0.166210225550  0.044987874979  0.059972384563  0.002138902293  -0.004144163937  -0.004957352984
  23  Al  6.129113939623  1.980464370718  4.025665208443  -0.088876586217  0.104848131188  0.174619100406  0.001128842964  -0.000638831675  -0.004935640564
  24  Al  4.037250417517  4.045465147577  0.034332361573  0.071427448139  0.034776820375  -0.127951273454  -0.002893330051  -0.000133303997  -0.000652736767
  25  Al  4.025054488474  6.131489246378  2.072878915388  -0.003683878080  -0.006638059497  -0.036919964713  -0.002018752924  0.001987907236  0.000060389410
  26  Al  6.067652974722  4.083532429549  2.019933981724  -0.010572573796  -0.070805991652  0.029492511301  0.000597873331  0.000880171103  0.003402891670
  27  Al  6.048654482171  6.103997250154  0.057048697382  -0.039700981974  -0.070172499846  -0.166477878604  -0.002005520490  0.002063065372  0.003905832312
  28  Al  4.074655904879  4.061638021203  4.073719945747  -0.130339458648  0.047368637185  -0.104095761170  0.002569042014  -0.000323611209  -0.000393142936
  29  Al  4.060495317520  6.077558486879  6.090562913405  -0.027368021208  -0.016271439930  0.022525211932  0.003069734447  -0.004712806592  0.004929447810
  30  Al  6.026407976957  3.986309691488  6.066885876374  0.208245603786  0.059592217910  0.087958820570  0.007317447126  -0.000050348374  -0.001727202426
  31  Al  6.092450714938  6.064749072098  4.069085371166  -0.083452346284  0.072296364950  -0.190346124865  -0.002585311998  -0.000330937550  -0.000318778772


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)
  -81.304815480135  -0.165876398803  -0.162270469852
  -0.165876398803  -82.039393237907  0.046533196085
  -0.162270469852  0.046533196085  -80.815997861571
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.067921950594  8.099021018091  0.004754245112  -0.006184131669  0.088387183303  -0.092690555778  -0.001315850318  0.001089087125  0.001350830916
  1  Al  8.065050099106  2.002991043772  1.975196766321  0.032944627185  0.053543535640  0.085483223313  -0.003247244227  0.001019108464  -0.002778140635
  2  Al  2.022275068101  8.069593336487  2.020843659141  0.148338794900  -0.025096234460  0.083408694792  0.002881355887  -0.002227499665  -0.001215565469
  3  Al  2.005404715468  2.030597477536  0.037670795395  -0.034293532507  0.018524292465  -0.284235243531  0.001704288433  -0.002483612350  -0.000139252062
  4  Al  0.004566765986  8.089002672434  4.074212355038  0.038652702601  0.060588443071  -0.091174687291  0.000291983713  -0.001688851134  0.001146790895
  5  Al  0.031647265599  2.018726277292  6.062413475733  -0.109951863312  0.051791149467  0.088925703526  0.001650805560  -0.000094718110  0.003173815969
  6  Al  1.986850320218  8.096326849305  6.060229727755  0.050254434063  0.000542991694  0.057242915827  -0.006633549676  -0.001318496673  0.002224084400
  7  Al  2.020505365948  2.036861263107  4.083897515096  -0.043837724163  -0.048148592005  -0.054970672003  -0.000373523890  0.000753222794  0.002335473976
  8  Al  8.076501143440  4.074547729782  8.040304077214  0.008660169192  -0.165045142373  -0.042821115087  -0.001918425304  0.002058552308  -0.001718540559
  9  Al  8.097676288172  6.029147728639  2.001881992977  0.038145002357  0.151567153258  0.132087506846  -0.001770643442  -0.006349663669  -0.002968621137
  10  Al  2.048874799407  4.013321237593  2.039319332280  -0.004747076737  0.227724772727  0.085919382622  -0.000231826550  0.000246956161  -0.003917408037
  11  Al  2.091580490492  6.091060031158  8.088549527213  -0.086367541398  0.007764354903  0.123920156099  0.005458888243  0.001109420360  -0.001710298392
  12  Al  0.020251177937  4.052060366354  4.160541873669  0.000078618480  -0.043613951604  -0.116402758392  -0.002709782352  -0.004032295168  0.000871539626
  13  Al  0.004049807540  6.057774438940  6.069344576351  0.041783594279  -0.039973497487  0.038147173769  -0.004534223211  -0.002265825281  -0.009113294470
  14  Al  2.008908490657  4.044828593712  6.081708620383  -0.034318820904  -0.055908207797  0.024161208187  -0.001003633885  -0.001984538639  0.000271118364
  15  Al  2.063023814494  6.093623570795  4.022602949663  -0.030689370113  -0.114001102608  0.065001247319  0.002888578872  0.003901052351  0.001086711540
  16  Al  4.067492604108  0.021903463410  8.098496368513  -0.018127474357  -0.067478398312  0.111492065882  -0.002330945941  0.002139640387  -0.002569010565
  17  Al  4.048047241327  2.010202571288  2.046715718389  0.079023641727  -0.089533605698  -0.013726640074  0.000602100793  -0.002895707257  0.005676577342
  18  Al  6.068150953026  0.016150678141  1.986040333380  -0.096529374237  -0.083425795502  0.092840024883  -0.002742541675  0.002757709663  -0.000491823756
  19  Al  6.090034245940  2.064060513072  8.049177261397  0.013347765918  -0.154349726763  0.079184698433  -0.000765509112  -0.004493192771  0.005036469744
  20  Al  4.058526486489  0.006636280389  4.049534350485  -0.025247214101  -0.098830462142  -0.165527798144  -0.001176042375  0.000019339027  0.001625258719
  21  Al  4.065302762934  2.006634492160  6.090236775624  -0.023570940932  0.118909810164  0.046713128292  0.001102640323  -0.001000843287  0.001215682148
  22  Al  6.030904025465  0.047187624254  6.080646796362  0.162556554420  0.046700119525  0.067409438636  0.002168293806  -0.004135967097  -0.004945965141
  23  Al  6.129674388353  1.980149641554  4.023205193572  -0.086835135953  0.107187048815  0.178227782052  0.001113134462  -0.000619875883  -0.004904096306
  24  Al  4.035806945273  4.045400050091  0.034000273814  0.077198121472  0.037248392992  -0.125861077506  -0.002880043032  -0.000126864994  -0.000675427409
  25  Al  4.024044947344  6.132482903277  2.072907459784  0.006365310258  -0.006992326310  -0.038999471951  -0.002018513206  0.001986688689  0.000053602267
  26  Al  6.067951438797  4.083969350098  2.021636745863  -0.014795800895  -0.072571880217  0.029123144224  0.000595605416  0.000867353225  0.003408131867
  27  Al  6.047649947306  6.105025646155  0.058994172037  -0.042506431256  -0.075984120733  -0.171828873415  -0.002012869773  0.002049999075  0.003875587932
  28  Al  4.075934599759  4.061478332960  4.073518721236  -0.127492950143  0.049635262147  -0.107202212994  0.002545991982  -0.000314939130  -0.000412032822
  29  Al  4.062028961403  6.075201356255  6.093028644178  -0.031147274773  -0.008840459238  0.020945273218  0.003064503221  -0.004715051578  0.004933334040
  30  Al  6.030076009023  3.986287181051  6.066026206889  0.203629683363  0.059162880086  0.088791930904  0.007354268480  -0.000039731754  -0.001711401036
  31  Al  6.091154328649  6.064586834945  4.068917473376  -0.084336362766  0.070516112991  -0.193583592660  -0.002600312188  -0.000318170217  -0.000353101813


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)
  -81.219062436732  -0.191033574953  -0.177329804693
  -0.191033574953  -82.049903865278  0.062146208300
  -0.177329804693  0.062146208300  -80.731045711480
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.067263749006  8.099569512529  0.005425517335  0.002769087241  0.085445283317  -0.098877630341  -0.001316155621  0.001104627622  0.001333704858
  1  Al  8.063427949606  2.003502991380  1.973811517073  0.037791259487  0.056338656344  0.087432058932  -0.003240920489  0.001028931853  -0.002762682133
  2  Al  2.023722376735  8.068478464862  2.020239604745  0.145472333652  -0.018381261830  0.076137571556  0.002907622390  -0.002231386522  -0.001201302148
  3  Al  2.006255326776  2.029356499391  0.037588464151  -0.038461959334  0.018308684543  -0.287568561409  0.001697784144  -0.002480319508  -0.000190370911
  4  Al  0.004714485604  8.088160955149  4.074781675010  0.035719188226  0.064004901698  -0.090649923693  0.000298632506  -0.001677712579  0.001130535906
  5  Al  0.032467753570  2.018681233283  6.064004358664  -0.107733514551  0.053876808457  0.083612158933  0.007447058687  0.001543070208  -0.004549552837
  6  Al  1.983535791735  8.095667625240  6.061344328692  0.057075712994  -0.003174489433  0.062832709023  -0.006623954438  -0.001318731927  0.002234819074
  7  Al  2.020316644473  2.037235722279  4.085062794915  -0.050009415958  -0.047666572030  -0.057360437065  -0.000381913757  0.000744656987  0.002325431655
  8  Al  8.075542317895  4.075569628477  8.039442892846  0.015359925924  -0.169628904325  -0.047973585047  -0.001916277925  0.002028632689  -0.001726657539
  9  Al  8.096792671519  6.025979671802  2.000403586673  0.036726198969  0.158705433967  0.137900243752  -0.000696378717  -0.001465246913  -0.003030502591
  10  Al  2.048758673940  4.013454894889  2.037364468827  -0.004510462530  0.222496600418  0.089848669963  -0.000232654167  0.000287205627  -0.003901694499
  11  Al  2.094306074015  6.091615088402  8.087699917204  -0.094376081287  0.009987982858  0.117787727122  0.005442729893  0.001111007406  -0.001688689881
  12  Al  0.018896290275  4.050042269243  4.160972440321  -0.001353724443  -0.044696923765  -0.113902984609  -0.002709896346  -0.004040190096  0.000850950458
  13  Al  0.001784563646  6.056639739499  6.064789634281  0.053072282983  -0.041070424107  0.049222954616  -0.004525743164  -0.002273070550  -0.009105483644
  14  Al  2.008405139676  4.043833825316  6.081845259563  -0.044126562033  -0.053704109631  0.029553665540  -0.001010646846  -0.001994337901  0.000275920435
  15  Al  2.064466732126  6.095569001162  4.023149210965  -0.036932615349  -0.119448080463  0.072432723046  0.002882533515  0.003880182162  0.001098998038
  16  Al  4.066326320846  0.022970267343  8.097216846886  -0.019550402505  -0.070305116069  0.115396474552  -0.002334314316  0.002127322640  -0.002548726893
  17  Al  4.048351824052  2.008750715539  2.049553393484  0.080414408753  -0.089122809012  -0.019765302407  0.000616354440  -0.002911679012  0.005673583187
  18  Al  6.066775367361  0.017525803870  1.985798571418  -0.104326342591  -0.087687476928  0.098636552125  -0.002760498032  0.002742412260  -0.000474705888
  19  Al  6.089652088024  2.061807017310  8.051699035796  0.012289461950  -0.149342226379  0.072729468758  -0.000763217162  -0.004520342613  0.005050050761
  20  Al  4.057937336760  0.006641532216  4.050339580811  -0.016983793503  -0.104038611949  -0.169137477140  -0.001179817797  0.000001202678  0.001595339884
  21  Al  4.065853029483  2.006139385742  6.090846704758  -0.025080341150  0.117178813558  0.050760219639  -0.002275460219  0.000020614739  -0.001141916485
  22  Al  6.031995438588  0.045121728184  6.078176826969  0.158771392408  0.049140963149  0.072757415799  0.002197020293  -0.004127398973  -0.004933434325
  23  Al  6.130227074085  1.979844494835  4.020761112137  -0.084982304839  0.110034285859  0.180795733561  0.001097774107  -0.000600456452  -0.004871999862
  24  Al  4.034370374486  4.045338282583  0.033656934165  0.080238648001  0.036983073087  -0.122506652065  -0.002865968298  -0.000120228755  -0.000697631305
  25  Al  4.023035975268  6.133475935066  2.072932517655  0.016307840476  -0.006546181365  -0.040415340806  -0.002016486242  0.001985478356  0.000046502640
  26  Al  6.068248580138  4.084399782774  2.023342113591  -0.018016909951  -0.075556630015  0.030915468951  0.000592671983  0.000854110643  0.003413499276
  27  Al  6.046641612397  6.106047249230  0.060924285315  -0.044018387745  -0.079758405113  -0.175529061588  -0.002020605030  0.002036075805  0.003844534383
  28  Al  4.077201896861  4.061323082073  4.073307912924  -0.122019146382  0.050287368251  -0.111474695150  -0.001160605288  0.002109036354  -0.000171150643
  29  Al  4.063559820741  6.072843435301  6.095496247444  -0.035195269252  0.000603055514  0.017463101043  0.003058572246  -0.004715787996  0.004936767721
  30  Al  6.033762245437  3.986269959734  6.065174475338  0.199257972478  0.057282508611  0.086354797436  0.001790096640  0.001730830012  0.002016379778
  31  Al  6.089850402750  6.064430901881  4.068732269353  -0.083588480137  0.069453802782  -0.197408063030  -0.002615324548  -0.000305657007  -0.000388056185


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)
  -81.108466073222  -0.209070584321  -0.203343307157
  -0.209070584321  -82.055777712286  0.072909958747
  -0.203343307157  0.072909958747  -80.638544745247
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.066605794973  0.000129397969  0.006087949969  0.010821311980  0.082855404317  -0.099538001932  -0.001314940649  0.001119673582  0.001315966643
  1  Al  8.061809178617  2.004019975624  1.972434084188  0.043541834079  0.055528734391  0.092157088026  -0.003233649369  0.001038932717  -0.002746626993
  2  Al  2.025182690491  8.067361949965  2.019642356993  0.143618474235  -0.008270859626  0.071289055001  0.002933466900  -0.002233769202  -0.001188122313
  3  Al  2.007102499612  2.028117158028  0.037480424484  -0.041285847153  0.019456152922  -0.287513352407  0.001690654748  -0.002476943359  -0.000241782820
  4  Al  0.004865398492  8.087324959855  4.075342890944  0.033358059244  0.070119857004  -0.097524906309  -0.002753220310  -0.005473233329  -0.000920237127
  5  Al  0.036186467264  2.019455176661  6.061733319679  -0.112221963985  0.053253174655  0.087552038719  0.007427394825  0.001552647551  -0.004534250881
  6  Al  1.980226365780  8.095008117378  6.062464546829  0.064683656857  -0.005022876710  0.064716867172  -0.006613069238  -0.001319464765  0.002246221914
  7  Al  2.020123452191  2.037605920094  4.086222946752  -0.054142216345  -0.048058571970  -0.065708233158  -0.000391224838  0.000736099228  0.002314429405
  8  Al  8.074584865515  4.076576362471  8.038577419675  0.021732253349  -0.174138890451  -0.048990718374  -0.001912961911  0.001997900096  -0.001735326078
  9  Al  8.096446123809  6.025254142422  1.998894499469  0.030038147482  0.163080713005  0.144230152511  -0.000690410033  -0.001436479463  -0.003005280336
  10  Al  2.048642145240  4.013608443220  2.035417637780  -0.003502413843  0.215230660551  0.095527017637  -0.000233370512  0.000326338129  -0.003885122046
  11  Al  2.097023220385  6.092171038564  8.086860837332  -0.098686904429  0.011009091036  0.113268767965  0.005425470201  0.001112884529  -0.001668033597
  12  Al  0.017541281591  4.048020176258  4.161392824128  -0.001634835819  -0.045910166664  -0.117258968860  -0.002710163521  -0.004048290305  0.000830284746
  13  Al  8.099520312119  6.055501368391  6.060239092708  0.064708824466  -0.040433585961  0.060160068802  -0.004515213618  -0.002280356950  -0.009095704880
  14  Al  2.007897843812  4.042834255811  6.081984540819  -0.048439995075  -0.051942013812  0.033902995052  -0.001018922229  -0.002003782589  0.000281593415
  15  Al  2.065906348009  6.097503752957  4.023701947701  -0.042290639209  -0.123894204019  0.076079458445  0.002875451013  0.003858427537  0.001112274920
  16  Al  4.065158289792  0.024030786049  8.095947641621  -0.019721445528  -0.073758638850  0.122969753567  -0.002337825191  0.002114443444  -0.002527417124
  17  Al  4.048663595767  2.007290892276  2.052389301576  0.079974876675  -0.088514319418  -0.024694975156  0.000630693127  -0.002927559644  0.005669608470
  18  Al  6.065390454995  0.018893090401  1.985565627493  -0.109206500000  -0.092788425241  0.105392224928  -0.002779587714  0.002726277844  -0.000456465862
  19  Al  6.089271028778  2.059540170459  8.054227312158  0.010180817229  -0.144755524677  0.070172911268  -0.000761208336  -0.004546634740  0.005062826131
  20  Al  4.057346668692  0.006637483067  4.051129690369  -0.010851137406  -0.106459597664  -0.178130074560  -0.001182306220  -0.000017615710  0.001564294415
  21  Al  4.064714178291  2.006154930962  6.090278015479  -0.026572224551  0.115172780034  0.056305260465  -0.002280077921  0.000041386804  -0.001132344908
  22  Al  6.033101045759  0.043060225281  6.075713362037  0.153902424282  0.051590929115  0.078064459897  0.004386393727  0.004668560956  0.002355088984
  23  Al  6.130772162460  1.979549185102  4.018333193710  -0.083716557648  0.111739555481  0.177886421392  0.001082692550  -0.000580630030  -0.004839933936
  24  Al  4.032940976976  4.045279821336  0.033302642509  0.081789635337  0.039695275432  -0.117895433820  -0.002851483086  -0.000113373765  -0.000719123078
  25  Al  4.022028461102  6.134468381633  2.072953962424  0.027465035222  -0.005912013962  -0.041343195676  -0.002012572979  0.001984364602  0.000039193486
  26  Al  6.068544110781  4.084823460741  2.025050245139  -0.022771487551  -0.075467519110  0.032374829921  0.000589025530  0.000840609192  0.003419157383
  27  Al  6.045629342277  6.107061721960  0.062838706420  -0.048950993764  -0.082878966856  -0.174481030483  -0.002028916426  0.002021536141  0.003813243732
  28  Al  4.076616140005  4.062379848077  4.073217354724  -0.114949568245  0.046872950910  -0.118595261993  -0.001181790121  0.002117722417  -0.000191718731
  29  Al  4.065087533648  6.070485568260  6.097965411899  -0.039841692105  0.007286396377  0.018203213093  -0.001061425147  0.000295961502  0.002138492032
  30  Al  6.034666200516  3.987137935247  6.066186525256  0.196850162637  0.055338106969  0.079564360407  0.001825508422  0.001740898214  0.002031212832
  31  Al  6.088539004101  6.064281177938  4.068529417191  -0.083879090418  0.069976392789  -0.208142791538  -0.002630296028  -0.000293192048  -0.000424312140


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)
  -81.016264126667  -0.216536470457  -0.235189559769
  -0.216536470457  -81.993590982137  0.092253675045
  -0.235189559769  0.092253675045  -80.568963231173
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.065948808357  0.000692938367  0.006741483978  0.017263082377  0.080309390273  -0.105461783621  -0.001312429924  0.001134260398  0.001297639810
  1  Al  8.060194300236  2.004541924097  1.971064890080  0.048069342952  0.054485962031  0.097897411037  -0.003225459396  0.001048767952  -0.002729636257
  2  Al  2.026655843635  8.066244695660  2.019051482432  0.140041786686  -0.003272648220  0.067887714112  0.002958825924  -0.002234801183  -0.001175680010
  3  Al  2.007945981524  2.026879556031  0.037346681331  -0.045503037058  0.019749872571  -0.296115394270  0.001682895884  -0.002473438369  -0.000293958810
  4  Al  0.003490279430  8.084591477523  4.074878413052  0.035875273540  0.080261504920  -0.094775571081  -0.000255149423  0.003819081754  -0.000352484411
  5  Al  0.039895148395  2.020233880834  6.059470107784  -0.115962202455  0.052771414312  0.090462110338  0.007406995325  0.001562126073  -0.004518336544
  6  Al  1.976922722497  8.094348160475  6.063590550606  0.069642600807  -0.006347329589  0.064892433018  -0.006601060568  -0.001320481253  0.002257808892
  7  Al  2.019925419634  2.037971821507  4.087377224320  -0.059916679782  -0.046050691031  -0.064132026345  -0.000401421621  0.000727685927  0.002302821779
  8  Al  8.073629355984  4.077567528573  8.037707566768  0.027954329982  -0.177795019270  -0.055277587476  -0.003360693313  0.000821890708  0.002588402553
  9  Al  8.096102261487  6.024543192339  1.997398306336  0.024800118552  0.167379235659  0.150568153503  -0.000685507531  -0.001406936581  -0.002978925580
  10  Al  2.048525303428  4.013781233018  2.033479346781  -0.005918998329  0.210153368791  0.102536539236  -0.000234212780  0.000364367156  -0.003867415307
  11  Al  2.099731544217  6.092727972931  8.086031883607  -0.105986242432  0.013194944690  0.105159527703  0.005407172569  0.001115048352  -0.001648506264
  12  Al  0.016186126754  4.045993978938  4.161802725067  0.001040791168  -0.045453395229  -0.115035995921  -0.002710216628  -0.004056458142  0.000809517744
  13  Al  8.097265597772  6.054359382549  6.055693929401  0.078749000077  -0.039137339025  0.069841643542  -0.004502388591  -0.002287470533  -0.009084082821
  14  Al  2.007386217447  4.041830042727  6.082126852978  -0.053033042463  -0.048797133078  0.032589137650  -0.001027993846  -0.002012788596  0.000287537764
  15  Al  2.067342183140  6.099427428699  4.024261485885  -0.049707093230  -0.129818749165  0.085631410104  0.002867226482  0.003835745782  0.001126731755
  16  Al  4.063988495655  0.025084710787  8.094689429762  -0.017945200104  -0.074995640164  0.125608171582  -0.002341192562  0.002101144918  -0.002505194436
  17  Al  4.048982517179  2.005823155896  2.055223001954  0.085125331623  -0.087758878502  -0.030562466763  0.001302326702  -0.001494347926  -0.003777873285
  18  Al  6.063995779646  0.020252081714  1.985342105556  -0.114163153337  -0.096139894021  0.109728456090  -0.002799556800  0.002709387788  -0.000437234228
  19  Al  6.088890879689  2.057260382569  8.056761861927  0.007262398171  -0.140626086736  0.064391653332  -0.000759648925  -0.004572147651  0.005074856106
  20  Al  4.056755030541  0.006623916506  4.051903875226  -0.003514337953  -0.109056879828  -0.179670671188  -0.001183590483  -0.000036882728  0.001532307286
  21  Al  4.063572951562  2.006180772546  6.089714359850  -0.028922518447  0.114952524318  0.060647918862  -0.002285039111  0.000061959840  -0.001121889378
  22  Al  6.035301122005  0.045396811855  6.076894395982  0.146298538543  0.042996851771  0.073516363271  0.004413231477  0.004677017035  0.002368640200
  23  Al  6.131309766635  1.979263864805  4.015921178201  -0.083002051122  0.113486974302  0.181130862048  0.001067788026  -0.000560494940  -0.004807838049
  24  Al  4.031518891400  4.045224908818  0.032937811086  0.085921548936  0.042816911159  -0.119750029155  -0.002836489827  -0.000105997235  -0.000740368412
  25  Al  4.021023402289  6.135460299669  2.072971711141  0.037251662594  -0.004036484656  -0.040649589783  -0.005274313826  -0.002811937161  0.004222157747
  26  Al  6.068837605668  4.085240391966  2.026761270974  -0.027175806866  -0.074643199422  0.034438107647  0.000584560278  0.000827189402  0.003425130412
  27  Al  6.044612695972  6.108068785371  0.064737529047  -0.053208420803  -0.083958567380  -0.178194372793  -0.002038049404  0.002006620986  0.003781714805
  28  Al  4.076020106740  4.063440804490  4.073116194193  -0.110138843416  0.044495766620  -0.117054354151  -0.001201912863  0.002125890714  -0.000212785637
  29  Al  4.064555040165  6.070633874710  6.099035471592  -0.039341311289  0.007981019288  0.019990473795  -0.001068504050  0.000297326398  0.002141906520
  30  Al  6.035587753859  3.988010857948  6.067205688170  0.192459890381  0.052154570702  0.072690282330  0.001860312461  0.001750507982  0.002044824287
  31  Al  6.087220106722  6.064137709833  4.068307957213  -0.084316757306  0.070697623907  -0.212928526652  -0.002645332616  -0.000280615892  -0.000461955613


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)
  -80.889860172083  -0.235996577715  -0.281993457224
  -0.235996577715  -81.947737078547  0.138221529915
  -0.281993457224  0.138221529915  -80.499330124299
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.065293365048  0.001263658367  0.007385589779  0.023890650672  0.082532167698  -0.106774596226  -0.001308750810  0.001148818316  0.001278666030
  1  Al  8.058583719221  2.005068743576  1.969704447930  0.051274585862  0.057347765323  0.097312793021  -0.003216578120  0.001058765806  -0.002712184606
  2  Al  2.028141516414  8.065127148782  2.018466676983  0.135722537999  -0.000998182535  0.062195553459  0.002983479056  -0.002235182993  -0.001164050660
  3  Al  2.008785395496  2.025643719659  0.037186465674  -0.052305112002  0.021767577355  -0.298410845061  0.001674151906  -0.002469726738  -0.000347109028
  4  Al  0.003364308331  8.086504606060  4.074697934412  0.036605066408  0.075273640603  -0.099396737751  -0.000248669733  0.003832986484  -0.000369843276
  5  Al  0.043593462589  2.021017302734  6.057214983135  -0.121593248171  0.054095254526  0.098428466413  0.007385758038  0.001571679877  -0.004501449862
  6  Al  1.973625305212  8.093687636125  6.064722355721  0.075786211099  -0.010111538791  0.069283923823  -0.006074173086  -0.004188240299  0.003667783240
  7  Al  2.019722030570  2.038333606021  4.088525768531  -0.064646636025  -0.041542920105  -0.071086066604  -0.000412557492  0.000719855122  0.002290733379
  8  Al  8.071950258876  4.077970526554  8.038999297156  0.034874455908  -0.185339910918  -0.058684944434  -0.003355076464  0.000789426706  0.002578214384
  9  Al  8.095760616277  6.023847205840  1.995915573889  0.021123749096  0.169661571265  0.160670621037  -0.000681401971  -0.001376805375  -0.002951101057
  10  Al  2.048407932460  4.013972810376  2.031550222474  -0.006751524150  0.205731653982  0.107892473373  -0.000235345515  0.000401546977  -0.003848603105
  11  Al  2.102430392954  6.093286086916  8.085212331068  -0.109090627185  0.016313882389  0.104025159716  0.005387944852  0.001117686420  -0.001629805304
  12  Al  0.014831064963  4.043963718116  4.162202341871  0.003357648277  -0.044839761977  -0.123524874511  -0.002709823411  -0.004064530285  0.000788190573
  13  Al  8.095017923528  6.053213897858  6.051155009887  0.094348030124  -0.035506505140  0.082217207800  -0.004486913841  -0.002294143639  -0.009070488869
  14  Al  2.006869849966  4.040821467215  6.082272078582  -0.057350581007  -0.044960549963  0.035184973113  -0.001037862062  -0.002021170465  0.000293596721
  15  Al  2.068773574492  6.101339498738  4.024828679456  -0.057981685941  -0.135853242928  0.088291060139  0.002857599183  0.003811994897  0.001142280299
  16  Al  4.062817097230  0.026131930968  8.093442447184  -0.016029321022  -0.080503045470  0.129449899340  -0.002344229860  0.002087243448  -0.002482392428
  17  Al  4.049637485601  2.005072059143  2.053332699181  0.090457023123  -0.082655500991  -0.026141345384  0.001318023638  -0.001509582849  -0.003782942565
  18  Al  6.062590898194  0.021602478190  1.985128393265  -0.118911640068  -0.099916538323  0.111587783643  -0.002820393519  0.002691860484  -0.000417448715
  19  Al  6.088511379853  2.054968022808  8.059302168264  0.005366409044  -0.133623953903  0.063270375877  -0.000758519919  -0.004596665407  0.005086269000
  20  Al  4.056163078210  0.006600600339  4.052661997655  0.003014337170  -0.112633780563  -0.188153546089  0.000727041250  0.002425498602  -0.002394204282
  21  Al  4.062429139180  2.006216890803  6.089156126101  -0.027260280787  0.114116390055  0.070887297824  -0.000344384300  -0.001198615766  -0.000348685999
  22  Al  6.037514277236  0.047737242316  6.078082002237  0.136872765122  0.038552188954  0.074752792539  0.004438546788  0.004684307461  0.002381895356
  23  Al  6.131839950486  1.978988690162  4.013525355661  -0.083874934048  0.119951340807  0.177686808554  0.001052869344  -0.000539625723  -0.004775760008
  24  Al  4.030104487149  4.045173824101  0.032562274097  0.090520327893  0.043803208203  -0.113534965106  -0.002820716050  -0.000098253459  -0.000761223922
  25  Al  4.018387910512  6.134054150659  2.075080972993  0.051136429478  -0.000956134273  -0.048482348051  -0.005266411994  -0.002812383497  0.004214189416
  26  Al  6.069128671058  4.085650650143  2.028475375551  -0.032283785955  -0.075215286414  0.034694117902  0.000579244633  0.000813792161  0.003431310783
  27  Al  6.043591292873  6.109068342946  0.066620421225  -0.062008706882  -0.085089029037  -0.174199018575  -0.004524713041  -0.002129465554  -0.000857890733
  28  Al  4.075414227142  4.064505738792  4.073004569087  -0.104832013566  0.044274129458  -0.125670201959  -0.001221131103  0.002133826679  -0.000234485038
  29  Al  4.064019029598  6.070782894658  6.100107318419  -0.041486402948  0.011707550508  0.023708373338  -0.002616792270  -0.003351808408  -0.003042001190
  30  Al  6.036526512977  3.988888443229  6.068231349543  0.187238337595  0.044274266470  0.069354122567  0.001894257209  0.001759128650  0.002057522955
  31  Al  6.085893671485  6.064000562045  4.068067461578  -0.085182065115  0.070343293738  -0.226834313727  -0.002660485689  -0.000268006936  -0.000501270094


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)
  -80.755133964012  -0.248801702680  -0.330894823770
  -0.248801702680  -81.910614525595  0.168401157182
  -0.330894823770  0.168401157182  -80.435557781311
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.064640057547  0.001841756683  0.008020150008  0.030618785001  0.083217041985  -0.114597689091  0.002766183787  0.001425476728  -0.002182292461
  1  Al  8.056977722116  2.005600689904  1.968352705474  0.055033986855  0.058704111872  0.101346280275  -0.003207074210  0.001069140761  -0.002694424627
  2  Al  2.029639322691  8.064009512667  2.017887431772  0.131424625892  0.000753581507  0.060142297960  0.003007361820  -0.002235204860  -0.001153113744
  3  Al  2.009620133429  2.024409829293  0.036999572303  -0.058661135663  0.023350327957  -0.303937554215  0.001664231603  -0.002465693230  -0.000400958541
  4  Al  0.003241609697  8.088424464007  4.074508569776  0.038627741023  0.070841691385  -0.097686592818  -0.000241943974  0.003846049090  -0.000387462384
  5  Al  0.047280906434  2.021805560711  6.054968657921  -0.129409734828  0.053238464925  0.102774619646  0.007363318552  0.001581275434  -0.004483462451
  6  Al  1.970591606286  8.091593063993  6.066559344307  0.080056050531  -0.013269588964  0.066400353940  -0.006060240900  -0.004190330555  0.003679913317
  7  Al  2.019512862142  2.038691676628  4.089667957698  -0.069895833444  -0.038636072052  -0.072840001080  -0.000424585492  0.000712687177  0.002277866492
  8  Al  8.070274279519  4.078356955279  8.040285781152  0.040958460689  -0.195344930619  -0.067922754839  -0.003348297056  0.000755393755  0.002566895747
  9  Al  8.095420859516  6.023166386964  1.994447205279  0.018035413263  0.175538059185  0.172349711785  -0.000677901170  -0.001345944777  -0.002921329279
  10  Al  2.048289957912  4.014182779995  2.029630743676  -0.006564608643  0.199205117566  0.114291467829  -0.000236535968  0.000437748033  -0.003828740020
  11  Al  2.105119489069  6.093845659351  8.084402078304  -0.110099122398  0.020211050209  0.096033742192  0.005368349446  0.001120951723  -0.001611920182
  12  Al  0.013476303344  4.041929448652  4.162590915641  0.003959098489  -0.045768681974  -0.124297609218  -0.002709169299  -0.004072630615  0.000766035422
  13  Al  8.092778683930  6.052065238910  6.046623440532  0.109136945901  -0.030031615413  0.089376310627  -0.004468722431  -0.002300002700  -0.009055148532
  14  Al  2.006348355385  4.039808872262  6.082420449698  -0.059768367971  -0.039733974858  0.034485178678  -0.001048332412  -0.002028742095  0.000299825182
  15  Al  2.070199782322  6.103239423596  4.025403766184  -0.065163219079  -0.137167238275  0.097344352207  0.002846590117  0.003787587062  0.001158875971
  16  Al  4.061644265795  0.027171954234  8.092207037334  -0.015285218394  -0.087407943933  0.127791308715  -0.002347029357  0.002072232326  -0.002459395249
  17  Al  4.050300540817  2.004313573047  2.051440059390  0.096013756843  -0.077897820070  -0.023042495004  0.001334693991  -0.001523936200  -0.003787339565
  18  Al  6.061175386127  0.022943942199  1.984924656841  -0.122772366516  -0.103000880280  0.115432177425  -0.002841999895  0.002673719813  -0.000397153294
  19  Al  6.088132359770  2.052663717162  8.061848130927  0.003463583406  -0.126077945584  0.056880203924  -0.000757730524  -0.004619882570  0.005097010375
  20  Al  4.056526733575  0.007808314950  4.051456485118  0.005815019132  -0.122649398915  -0.186273072366  0.000727830588  0.002404464455  -0.002427677752
  21  Al  4.062255728505  2.005622683882  6.088984951739  -0.027612727727  0.116930192218  0.076559308779  -0.000349289907  -0.001177960368  -0.000335504378
  22  Al  6.039739668793  0.050081119315  6.079276291338  0.129575189156  0.030345899317  0.070792846947  0.004462367043  0.004690466900  0.002394907032
  23  Al  6.132362635979  1.978724239082  4.011145418193  -0.082047668721  0.126037089331  0.179473647033  0.001038035983  -0.000517634534  -0.004743830120
  24  Al  4.028698175350  4.045126655359  0.032176587164  0.094028762862  0.043759814595  -0.114542361745  -0.002804217494  -0.000090425388  -0.000781613871
  25  Al  4.015756990295  6.132647916171  2.077185900557  0.061707751627  0.001934506795  -0.052390479050  -0.005256323805  -0.002812296032  0.004205171458
  26  Al  6.069416850301  4.086054184127  2.030192581757  -0.038780078265  -0.078614855134  0.037213166558  0.000572891575  0.000800039857  0.003437739242
  27  Al  6.041326164585  6.107999806720  0.066183689225  -0.067532002736  -0.080011656370  -0.173230482074  -0.004536293888  -0.002144225436  -0.000888950681
  28  Al  4.074798975638  4.065574631169  4.072881709155  -0.098355409828  0.043987905906  -0.127609353306  -0.001239295912  0.002141717242  -0.000257128048
  29  Al  4.062708779036  6.069107513777  6.098587377580  -0.042171502572  0.020168359233  0.029189429835  -0.002624271227  -0.003348958725  -0.003037272165
  30  Al  6.037482011068  3.989769986598  6.069263211125  0.181788795336  0.036630405565  0.061350504159  0.001927247969  0.001766361470  0.002069207854
  31  Al  6.084559621033  6.063869702897  4.067806687119  -0.086124969221  0.070758982891  -0.230856463705  -0.002675800414  -0.000255392494  -0.000542187320


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)
  -80.631234118609  -0.260454088771  -0.375953317118
  -0.260454088771  -81.867955159955  0.191325649160
  -0.375953317118  0.191325649160  -80.355175579290
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.066024518089  0.002558214819  0.006923881302  0.034016932278  0.084212806694  -0.112623974505  0.002771962174  0.001440444836  -0.002202605914
  1  Al  8.055376645010  2.006137884337  1.967010023303  0.058649214048  0.059726257431  0.100819377869  -0.003196911014  0.001079728350  -0.002676351163
  2  Al  2.031148878234  8.062891943922  2.017313563239  0.128015330983  0.003295115104  0.053698162151  0.003030555565  -0.002234842909  -0.001142936489
  3  Al  2.010449627099  2.023178026429  0.036785507133  -0.064945778096  0.025649307274  -0.304012646223  0.001653181234  -0.002461312698  -0.000455308852
  4  Al  0.003122364357  8.090350655150  4.074310472029  0.039849853394  0.065922961976  -0.099523307768  -0.000234928134  0.003858275751  -0.000405092807
  5  Al  0.050956781141  2.022598578168  6.052731520684  -0.137792484484  0.053617516787  0.110466429772  0.007339430866  0.001590828282  -0.004464398855
  6  Al  1.967565064312  8.089497305570  6.068402269038  0.083932723134  -0.017212060363  0.066441524133  -0.000859472236  -0.002061853378  0.002362063224
  7  Al  2.019297445078  2.039046293199  4.090803635023  -0.073137384943  -0.035973489040  -0.079400160344  -0.000437372559  0.000706017136  0.002264256331
  8  Al  8.068601961820  4.078725920309  8.041566192903  0.048249013506  -0.205793437807  -0.074496591910  -0.003340321972  0.000719532274  0.002554163560
  9  Al  8.095082715108  6.022501261064  1.992994244609  0.016000110249  0.181557591811  0.180390164094  -0.000674858418  -0.001314020683  -0.002889794588
  10  Al  2.048171396492  4.014410558409  2.027721482453  -0.004700924362  0.191638547344  0.115720372373  -0.000237543099  0.000472689176  -0.003808177127
  11  Al  2.107798742401  6.094407038639  8.083600410887  -0.112461306288  0.023799507941  0.092498378077  0.005348452704  0.001124886235  -0.001595065546
  12  Al  0.012121895665  4.039891087501  4.162968377293  0.002068555089  -0.046275697070  -0.127658173735  -0.002708630431  -0.004080859316  0.000743510756
  13  Al  8.090549201097  6.050913895158  6.042099861356  0.125079968708  -0.026192455823  0.098969211137  -0.004447783607  -0.002305029091  -0.009038310577
  14  Al  2.005821517554  4.038792725120  6.082571903764  -0.063507643618  -0.033848057153  0.038198462141  -0.001059353199  -0.002035320276  0.000306323047
  15  Al  2.071620164609  6.105127085801  4.025987555427  -0.072115628279  -0.138082290605  0.102621866060  0.002834317487  0.003762979952  0.001176752807
  16  Al  4.060470067873  0.028204163294  8.090983051935  -0.016998501848  -0.092598824886  0.131632767387  -0.002349915498  0.002056139850  -0.002436202923
  17  Al  4.050972179593  2.003548122942  2.049545359616  0.100836844421  -0.072853191292  -0.021921633477  0.001352292293  -0.001537413232  -0.003791359325
  18  Al  6.059748898299  0.024276198003  1.984731239971  -0.125994751316  -0.104294039767  0.117492754856  -0.002864239497  0.002655187797  -0.000376329973
  19  Al  6.087753649329  2.050348140238  8.064399178639  0.002371925602  -0.116630027011  0.054784690767  -0.000757208833  -0.004641580488  0.005106993136
  20  Al  4.056890908798  0.009005064793  4.050234319902  0.009686659934  -0.130726086100  -0.190530193010  0.000729216427  0.002381812869  -0.002461363693
  21  Al  4.062079849273  2.005038930435  6.088820621723  -0.026885353695  0.120000364830  0.084044571914  -0.000354161996  -0.001156778946  -0.000321146507
  22  Al  6.041976644279  0.052427709216  6.080476909269  0.123178721581  0.023712928997  0.067186606894  0.004484963061  0.004695299720  0.002407242296
  23  Al  6.132877986469  1.978471055628  4.008781525541  -0.080981990016  0.132318275601  0.176815065424  0.001023461249  -0.000494537751  -0.004711978165
  24  Al  4.027300269655  4.045083398713  0.031780660226  0.096824522493  0.041995481398  -0.109727932434  -0.002787155347  -0.000082758926  -0.000801663474
  25  Al  4.013131586707  6.131241854627  2.079286144451  0.071259498442  0.005130286755  -0.058797026207  -0.005244436629  -0.002811664444  0.004195231375
  26  Al  6.069701562633  4.086450690000  2.031913114794  -0.045318232937  -0.083592927225  0.037212112658  0.000565373246  0.000785538598  0.003444392809
  27  Al  6.039054998985  6.106924117510  0.065731470545  -0.071345964389  -0.076711575200  -0.168796783073  -0.004548709478  -0.002158236381  -0.000919527672
  28  Al  4.074174931230  4.066647456033  4.072747441039  -0.092017894591  0.042242853444  -0.133798867856  -0.001256315148  0.002149426210  -0.000280497755
  29  Al  4.061394758371  6.067433935933  6.097070046254  -0.044110791521  0.027570808591  0.035643460280  -0.002631984802  -0.003344690878  -0.003031476151
  30  Al  6.038453760946  3.990654804699  6.070300557397  0.178404974915  0.027904487972  0.055328166737  0.001959449033  0.001772130843  0.002079638844
  31  Al  6.083217871071  6.063745169552  4.067525274258  -0.086110218393  0.070489059393  -0.238676854185  -0.002691198116  -0.000242765020  -0.000584163261


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)
  -80.506261288558  -0.267312183637  -0.418499552734
  -0.267312183637  -81.818916146278  0.212800096251
  -0.418499552734  0.212800096251  -80.271199306483
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.067412019721  0.003282201519  0.005817544094  0.038274373366  0.084868025420  -0.114765900128  0.002778424965  0.001455560541  -0.002222934405
  1  Al  8.053780811102  2.006680418254  1.965676354311  0.063106597052  0.062662331841  0.102672784025  -0.003186026132  0.001090669802  -0.002658159110
  2  Al  2.032669878256  8.061774669758  2.016744495283  0.124887590386  0.005756974463  0.049786326008  0.003053164904  -0.002234033659  -0.001133685050
  3  Al  2.011273314663  2.021948516595  0.036544263451  -0.070759511386  0.027461836373  -0.308106308824  0.001641049279  -0.002456564600  -0.000510031846
  4  Al  0.003006681564  8.092282739759  4.074103476969  0.042331580122  0.060974900377  -0.097964248709  -0.000227581173  0.003869620329  -0.000422748052
  5  Al  0.054620337300  2.023396388993  6.050504259066  -0.144783574488  0.053244364634  0.115753822331  0.007314168770  0.001600381657  -0.004444174927
  6  Al  1.967139079957  8.088465609508  6.069586270562  0.082471361880  -0.022074258105  0.065734207020  -0.000844595831  -0.002065365546  0.002373879640
  7  Al  2.019075489583  2.039397693765  4.091932214030  -0.076709641805  -0.033355422715  -0.082394422196  -0.000450768775  0.000699819182  0.002249792012
  8  Al  8.066933957547  4.079076487553  8.042839944712  0.054795872220  -0.216134156826  -0.082129260769  -0.003331109834  0.000681812251  0.002540161322
  9  Al  8.094746001098  6.021852366281  1.991557410691  0.013372616153  0.185890269132  0.190595510581  -0.000672232518  -0.001281171108  -0.002856628736
  10  Al  2.048052414813  4.014655469171  2.025822566549  -0.005900972870  0.184592497392  0.119665191046  -0.000238490901  0.000506323960  -0.003787133827
  11  Al  2.110467941773  6.094970545586  8.082807012758  -0.113961998918  0.028428280071  0.086407587880  0.005328210623  0.001129555362  -0.001579071481
  12  Al  0.010767672913  4.037848589336  4.163334426397  0.000573067366  -0.047178545300  -0.130327046900  -0.002708394272  -0.004089214058  0.000720447063
  13  Al  8.088330900323  6.049760209819  6.037585129955  0.140496554639  -0.020417328732  0.106672072844  -0.004424041257  -0.002309195972  -0.009019926395
  14  Al  2.005289002186  4.037773551987  6.082726772746  -0.066221127539  -0.029896228348  0.039239306381  -0.001070950857  -0.002041018969  0.000313245928
  15  Al  2.073034099809  6.107002403548  4.026580518992  -0.079068680171  -0.138355381640  0.109803884564  0.002820801719  0.003738266623  0.001195743517
  16  Al  4.059294350296  0.029228094085  8.089770834411  -0.017759174944  -0.098209807974  0.130629402026  -0.002353022810  0.002039081696  -0.002412756874
  17  Al  4.051652833110  2.002776159815  2.047648700064  0.106323638557  -0.068222954021  -0.019056362187  0.001370812292  -0.001550025338  -0.003795022729
  18  Al  6.058311146631  0.025599129995  1.984548326868  -0.129358771987  -0.107762850017  0.121083358238  -0.002887067918  0.002636230063  -0.000355001440
  19  Al  6.087375150937  2.048022136674  8.066955124063  0.000476611287  -0.107046225149  0.049164362874  -0.000756954176  -0.004661576984  0.005116286107
  20  Al  4.057255950002  0.010190127819  4.048995121425  0.014033362766  -0.139433082040  -0.190043180603  0.000731336980  0.002357660833  -0.002495386679
  21  Al  4.061901566509  2.004465904935  6.088663805232  -0.026605051413  0.121804910025  0.089472766705  -0.000358944000  -0.001135161729  -0.000305634182
  22  Al  6.044224631854  0.054776419036  6.081683533634  0.114645213443  0.016074144206  0.061746585252  0.004506224350  0.004698856656  0.002418768830
  23  Al  6.133386097228  1.978229701332  4.006433440028  -0.080289155167  0.138536588544  0.177755640440  0.001009043724  -0.000470323521  -0.004680279799
  24  Al  4.025911020003  4.045043896433  0.031374923689  0.101423793231  0.040768238918  -0.108326317072  -0.002769432091  -0.000075359909  -0.000821157367
  25  Al  4.010512553667  6.129836251727  2.081381131932  0.083009785641  0.008816242996  -0.063522633428  -0.005230645066  -0.002810417634  0.004184296085
  26  Al  6.069982223548  4.086839722726  2.033636974566  -0.051521502767  -0.087373506777  0.039117375587  0.000556715844  0.000770254322  0.003451216610
  27  Al  6.036777455107  6.105841570340  0.065264161553  -0.076199506171  -0.072813465513  -0.166264578148  -0.001235676261  -0.000743656304  -0.000278349027
  28  Al  4.073542660489  4.067724057379  4.072601211400  -0.084570946077  0.040591941345  -0.136570328562  -0.001272102064  0.002156831581  -0.000304668566
  29  Al  4.060076794234  6.065762822899  6.095555901429  -0.044079619710  0.037343865170  0.040900958618  -0.002639868961  -0.003338887552  -0.003024633135
  30  Al  6.039441460101  3.991542117441  6.071342849968  0.174581127422  0.019679019028  0.047586868299  0.001991005736  0.001776384774  0.002088839374
  31  Al  6.081868422917  6.063626937877  4.067222523858  -0.087013910118  0.070778783220  -0.244317423196  -0.002706675289  -0.000230135777  -0.000627342602


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)
  -80.382045900227  -0.269730412948  -0.453711764149
  -0.269730412948  -81.749960083192  0.238479891407
  -0.453711764149  0.238479891407  -80.172441046852
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.068802943054  0.004013775359  0.004700946897  0.041859145947  0.085383614533  -0.113454978993  0.002785588844  0.001470780915  -0.002243337188
  1  Al  8.052190618878  2.007228554139  1.964351864192  0.067769397092  0.065892643633  0.104287938027  -0.003174325913  0.001102162525  -0.002639656971
  2  Al  2.034202043139  8.060657910263  2.016179878189  0.121430665059  0.008100428540  0.046080817850  0.000647864800  0.005408436577  0.002608104661
  3  Al  2.012090676378  2.020721461829  0.036275475288  -0.076298316278  0.030921899373  -0.310820994326  0.001627902415  -0.002451345136  -0.000565363501
  4  Al  0.002894783184  8.094220275479  4.073887723976  0.044685477753  0.055447250450  -0.099345281403  -0.000219801910  0.003880028385  -0.000440387382
  5  Al  0.058270949911  2.024198959825  6.048287345757  -0.151784806658  0.054695658820  0.121653629613  0.007287655770  0.001610031417  -0.004422950872
  6  Al  1.966720468481  8.087431940023  6.070776148677  0.082820145858  -0.026783864525  0.064518735758  -0.000829818889  -0.002069733427  0.002385524159
  7  Al  2.018846676302  2.039746112380  4.093053427034  -0.080601505294  -0.030615972892  -0.087097702867  -0.000464832279  0.000694100185  0.002234639538
  8  Al  8.065270851986  4.079407732559  8.044106354225  0.061636124925  -0.225705111991  -0.088409615033  -0.003320700897  0.000642312138  0.002524915269
  9  Al  8.094410482590  6.021220089955  1.990137615873  0.010904199563  0.189626067415  0.200722536928  0.001561876797  0.001710749282  0.001837779883
  10  Al  2.047932905592  4.014916882369  2.023934348626  -0.008608863143  0.178041284190  0.123026543881  -0.000239788070  0.000538743159  -0.003765437361
  11  Al  2.113126953024  6.095536594001  8.082021339405  -0.116236135488  0.031450499127  0.081911293012  -0.005702871967  -0.004410421067  -0.001915422874
  12  Al  0.009413501393  4.035801873443  4.163688824356  -0.000370031084  -0.046680942456  -0.134225645340  -0.002708376120  -0.004097605029  0.000696796243
  13  Al  8.086125159840  6.048604699185  6.033079934961  0.156149710692  -0.017145767785  0.114352418918  -0.004397521295  -0.002312554086  -0.009000166964
  14  Al  2.004750566697  4.036751706152  6.082885149692  -0.069202865888  -0.025098852192  0.040900271048  -0.001083057665  -0.002045935489  0.000320410348
  15  Al  2.074440966327  6.108865352424  4.027183298944  -0.086080313824  -0.139763761340  0.115823717290  0.002806037517  0.003713402972  0.001215914462
  16  Al  4.058117045063  0.030243244990  8.088570295061  -0.016846763721  -0.104001418121  0.130986492768  -0.002356116556  0.002021004158  -0.002389368602
  17  Al  4.052342991884  2.001998097605  2.045750336887  0.112281801910  -0.064161266615  -0.016314411760  0.001390355461  -0.001561860392  -0.003798184850
  18  Al  6.056861830381  0.026912428066  1.984376238531  -0.132432229040  -0.111454542426  0.124739241344  -0.000244994765  -0.000040965744  0.004261509950
  19  Al  6.086996695153  2.045686563254  8.069515464746  -0.001707420766  -0.096707832952  0.044795431951  -0.000757064210  -0.004679792450  0.005124686045
  20  Al  4.057622245778  0.011362725627  4.047738933223  0.019054006913  -0.148102270730  -0.190956286132  0.000734294967  0.002331955380  -0.002529447757
  21  Al  4.061720905272  2.003903768706  6.088514987542  -0.025417754218  0.124089824934  0.095212746849  0.001360769000  -0.003330500358  0.003874045771
  22  Al  6.046482868629  0.057126565872  6.082895678099  0.104629604691  0.008608044153  0.056637587682  0.004525827361  0.004701063226  0.002429352290
  23  Al  6.133887030193  1.978000732107  4.004101245741  -0.080601914890  0.144608298698  0.177203538427  0.000994660178  -0.000445010571  -0.004648546704
  24  Al  4.024530837565  4.045008038804  0.030959502858  0.106629791597  0.039640938893  -0.106937740302  -0.002750832250  -0.000068171386  -0.000840401819
  25  Al  4.007900941641  6.128431436993  2.083470440536  0.095482826106  0.012993244576  -0.068493475821  -0.005214687955  -0.002808467882  0.004172493940
  26  Al  6.070258278477  4.087220944323  2.035364331404  -0.056537109538  -0.090249005999  0.040083352119  0.000547055481  0.000754374997  0.003458297098
  27  Al  6.036156210886  6.105466487452  0.065117555073  -0.085535838351  -0.071397216590  -0.163320203611  -0.001250135285  -0.000756548635  -0.000307813669
  28  Al  4.072902829166  4.068804287614  4.072442772473  -0.077114831983  0.039295847511  -0.139407773526  -0.001286556656  0.002163973491  -0.000329340810
  29  Al  4.058754889410  6.064095048380  6.094045413119  -0.043274918047  0.046292238782  0.046475986412  -0.002647678394  -0.003331410545  -0.003016821699
  30  Al  6.040444766682  3.992431189473  6.072389396771  0.170855574487  0.011850032945  0.040879483302  0.002021887529  0.001779203449  0.002096748202
  31  Al  6.080511195782  6.063515033775  4.066897931656  -0.087536854381  0.070930010042  -0.251507654067  -0.002722280001  -0.000217467113  -0.000671669007


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)
  -80.313097450039  -0.262754043027  -0.482420818390
  -0.262754043027  -81.747031686097  0.260934662501
  -0.482420818390  0.260934662501  -80.086897950941
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.070197608565  0.004752982434  0.003574206906  0.044982129259  0.086092334551  -0.109435473700  0.000980298926  -0.003596947152  -0.006808650136
  1  Al  8.050606485189  2.007782580779  1.963036697340  0.072125471336  0.068100030136  0.098644478614  -0.003161819412  0.001114141373  -0.002621514959
  2  Al  2.034531403446  8.063362490638  2.017485990316  0.121079610166  0.000115977008  0.035788726451  0.000669545044  0.005409171118  0.002615423739
  3  Al  2.012901217078  2.019497171459  0.035978899950  -0.082269266295  0.036967117783  -0.309562009124  0.001613726587  -0.002445275907  -0.000620825295
  4  Al  0.002786879653  8.096162768144  4.073663089587  0.044820469658  0.044659813095  -0.098652718246  -0.000211800143  0.003888977885  -0.000458088261
  5  Al  0.061907993070  2.025006420410  6.046081308194  -0.159023892668  0.053687510834  0.135420427806  0.007259869696  0.001619720795  -0.004399968636
  6  Al  1.966309261068  8.086395876081  6.071971794721  0.080891754129  -0.030034977775  0.064837855277  -0.000815183163  -0.002074812991  0.002397088545
  7  Al  2.018610657305  2.040091793950  4.094166853567  -0.077396446407  -0.029763199303  -0.091308420870  -0.000478957182  0.000688702330  0.002218690159
  8  Al  8.063613256650  4.079718799691  8.045364859981  0.069433891798  -0.235880170293  -0.089005466388  -0.003308983332  0.000601046746  0.002509054488
  9  Al  8.095191908402  6.022083940813  1.991065478040  0.004333343459  0.191635364547  0.200509313540  0.001563239023  0.001744833780  0.001873649721
  10  Al  2.047812626744  4.015194212330  2.022057129188  -0.009628250943  0.168452884238  0.119852725643  -0.000241418454  0.000569719489  -0.003743724129
  11  Al  2.110270321327  6.093332789294  8.081067289374  -0.107916177538  0.042420032477  0.082502105337  -0.005722911022  -0.004403817095  -0.001900724435
  12  Al  0.008059296792  4.033750984308  4.164031222639  -0.000488239711  -0.042779394720  -0.138080748038  -0.002708452849  -0.004105602718  0.000672452247
  13  Al  8.083933379029  6.047447655732  6.028584962991  0.169360276603  -0.010091285438  0.121821143675  -0.004368420936  -0.002314989059  -0.008979053218
  14  Al  2.004205944521  4.035727616497  6.083047183094  -0.071388530007  -0.021445711439  0.045194342878  -0.001095626435  -0.002050096540  0.000328107145
  15  Al  2.075840137327  6.110715806520  4.027796433453  -0.094966931037  -0.138383540067  0.121610971815  0.003940222709  0.003478180281  0.005102223251
  16  Al  4.056938233741  0.031249098243  8.087381465809  -0.018629626904  -0.108708506544  0.136481434073  0.004400055589  -0.003654879888  -0.001939808260
  17  Al  4.053043188571  2.001214299423  2.043850515214  0.116063431611  -0.059161442232  -0.018148598114  0.001410769360  -0.001572885353  -0.003801265819
  18  Al  6.056733413325  0.026886963216  1.986512569305  -0.135993582390  -0.112182718767  0.121108079986  -0.000268991840  -0.000060958754  0.004283488523
  19  Al  6.086618086727  2.043342344224  8.072079810108  -0.002994032276  -0.086272012435  0.046130056385  -0.000757484516  -0.004696150717  0.005132814718
  20  Al  4.057990244969  0.012522083199  4.046465673668  0.023771178894  -0.155865849866  -0.191312845940  0.000738123508  0.002304780849  -0.002563622342
  21  Al  4.062400153608  2.002244065298  6.090456266403  -0.032207571188  0.131359413693  0.094856412822  -0.000709997507  -0.005710116809  0.003315286580
  22  Al  6.048750459215  0.059477482262  6.084112885924  0.099619162967  -0.003803354969  0.051337920421  0.004544087053  0.004701492762  0.002439005223
  23  Al  6.134380757406  1.977784690760  4.001784893323  -0.081252593140  0.148958974244  0.176507412701  0.000980190502  -0.000418765869  -0.004616925200
  24  Al  4.023160187753  4.044975725046  0.030534521870  0.107995734721  0.034218167534  -0.100726929268  -0.002731644882  -0.000061568435  -0.000858966891
  25  Al  4.005297865712  6.127027783845  2.085553625872  0.103231915582  0.018741603121  -0.075049051278  -0.005196923000  -0.002805630809  0.004159661342
  26  Al  6.070529279029  4.087594097723  2.037095271664  -0.060018584504  -0.093161449007  0.033701017400  0.002799927199  -0.003553273641  0.002089755828
  27  Al  6.035527319823  6.105085021705  0.064956347884  -0.087097479612  -0.068604166207  -0.157245655135  -0.003716412255  -0.002504091813  0.001135315380
  28  Al  4.072256103833  4.069888030870  4.072271870590  -0.073827742668  0.034693547726  -0.142006985082  -0.001300050813  0.002170588090  -0.000354499087
  29  Al  4.057429115840  6.062431412354  6.092539079729  -0.044418968160  0.055810917262  0.052978915277  -0.002655518164  -0.003322282596  -0.003007930503
  30  Al  6.041463347629  3.993321320890  6.073439598170  0.167939928237  0.002656831705  0.037809222160  0.001662640318  -0.001295686675  -0.002185219652
  31  Al  6.079146142916  6.063409470764  4.066550854851  -0.086130382971  0.077567259109  -0.256557661077  -0.002737805727  -0.000204191564  -0.000717089680


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)
  -80.240019428781  -0.256222081218  -0.517648269356
  -0.256222081218  -81.751507228719  0.288301902444
  -0.517648269356  0.288301902444  -79.981484677897
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.070689768712  0.002958357154  0.000164990112  0.045772202448  0.091800524221  -0.103525573045  0.000988412298  -0.003581043659  -0.006827688700
  1  Al  8.049028799466  2.008342695512  1.961730349234  0.074511296570  0.068948850362  0.101850673579  0.000721212512  -0.001262341058  -0.001689489503
  2  Al  2.034871588183  8.066067081381  2.018795301928  0.121116308421  -0.006801312229  0.036781198572  0.000691197185  0.005408573454  0.002621911438
  3  Al  2.013704402965  2.018276185922  0.035654649992  -0.086169286810  0.042851172750  -0.311883199109  0.001598668302  -0.002438140209  -0.000676382050
  4  Al  0.002682983041  8.098109253364  4.073429635715  0.044415251465  0.037186394775  -0.095784152557  -0.000203822534  0.003896294877  -0.000475470777
  5  Al  0.065530819608  2.025818680620  6.043887377121  -0.166932322436  0.051444776551  0.140348698498  0.007230729445  0.001629119546  -0.004375315075
  6  Al  1.965905285318  8.085357127033  6.073173237223  0.080890930149  -0.034435913085  0.058128205322  -0.000800719907  -0.002080576642  0.002408081622
  7  Al  2.018367719120  2.040434814711  4.095272117193  -0.075300859404  -0.029135595880  -0.093505156001  -0.000492608211  0.000683436820  0.002202167958
  8  Al  8.061961868654  4.080008779305  8.046615408713  0.076613143979  -0.243879703296  -0.093886267937  -0.003295926832  0.000558156558  0.002492704099
  9  Al  8.095973721613  6.022964923735  1.992011265595  -0.003020747720  0.190061822847  0.206989574804  0.001563356368  0.001778957234  0.001910079829
  10  Al  2.047691487137  4.015486601858  2.020190624497  -0.010729380835  0.160568130736  0.123342540834  -0.000243238412  0.000599133731  -0.003721982647
  11  Al  2.107404042001  6.091132776906  8.080120614971  -0.098095092525  0.046877837746  0.076257453372  -0.005741328282  -0.004395833930  -0.001886531444
  12  Al  0.006705048544  4.031696270725  4.164361276603  0.000186767682  -0.039675875834  -0.141937943767  -0.002708479801  -0.004112974160  0.000647418778
  13  Al  8.081756738904  6.046289710126  6.024100881743  0.182683606020  -0.006223269636  0.124664203375  -0.004336948466  -0.002316447569  -0.008957017605
  14  Al  2.003654940262  4.034701609612  6.083213256837  -0.072464035987  -0.014472877878  0.042412296408  -0.001108486750  -0.002053307636  0.000335939116
  15  Al  2.077806003694  6.112448710966  4.030352981046  -0.105012741994  -0.139794498047  0.126674081587  0.004084258476  0.001245951545  0.000337293099
  16  Al  4.059137428797  0.029416799068  8.086417662350  -0.026854845749  -0.107390239878  0.135078749515  0.004395989310  -0.003674198960  -0.001915530975
  17  Al  4.053753761244  2.000425212251  2.041949071069  0.122409610250  -0.055637715837  -0.013808600325  0.000882506800  -0.001279640646  0.000850851893
  18  Al  6.056592838541  0.026851469312  1.988659727054  -0.138665047193  -0.112452837506  0.123876841538  -0.000293546124  -0.000081041011  0.004305389999
  19  Al  6.086239210637  2.040990412537  8.074648279464  -0.005946322259  -0.077649797443  0.043071915850  0.000000289665  0.004929134452  0.002160841779
  20  Al  4.058360369286  0.013667506476  4.045175310881  0.030364498698  -0.162293066986  -0.187968992504  0.000742963199  0.002276337670  -0.002597529866
  21  Al  4.062043715188  1.999394878612  6.092118149740  -0.035729617931  0.137984670127  0.090871940841  -0.000716071043  -0.005686037642  0.003331890561
  22  Al  6.051026955682  0.061828058634  6.085334683322  0.093167499430  -0.017136968085  0.039131859931  0.004561322042  0.004699620712  0.002447093156
  23  Al  6.134867220695  1.977581966239  3.999484320541  -0.079341375127  0.149009766395  0.176429239928  0.000965833517  -0.000392127678  -0.004585372917
  24  Al  4.021799192682  4.044946470368  0.030100535967  0.109959327816  0.031051463823  -0.098018019257  -0.002712159857  -0.000055733377  -0.000876734546
  25  Al  4.002704018641  6.125625806183  2.087630101878  0.111999432087  0.021125536369  -0.076571222102  -0.005177681472  -0.002802066716  0.004146106598
  26  Al  6.071926559820  4.085813296620  2.038141656002  -0.065073404574  -0.090659301095  0.034406196261  0.004093275437  0.001376495545  -0.000624634585
  27  Al  6.033665220469  6.103829909217  0.065516976750  -0.086496873307  -0.067134667988  -0.155343508191  -0.003731931465  -0.002516226768  0.001107370134
  28  Al  4.071602778353  4.070974875704  4.072088273386  -0.073665936201  0.030997907238  -0.141888524071  -0.001313236642  0.002176460859  -0.000379879141
  29  Al  4.056099371247  6.060772765784  6.091037482616  -0.045751987628  0.063981524553  0.055639558027  -0.002663579383  -0.003311573238  -0.002998220089
  30  Al  6.042302174643  3.992673596311  6.072348678403  0.165922133252  -0.002687494522  0.037478036359  0.001692487346  -0.001295689417  -0.002178489025
  31  Al  6.077773390055  6.063310842211  4.066180841976  -0.084762130589  0.083570756730  -0.259312105737  -0.002753083395  -0.000189785941  -0.000763208066


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)
  -80.143832388795  -0.249883737920  -0.576577655649
  -0.249883737920  -81.771921624770  0.285969095439
  -0.576577655649  0.285969095439  -79.857167216716
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.071186020862  0.001171938775  8.096742765949  0.047144364236  0.095627207806  -0.094273239982  0.000996718972  -0.003564287754  -0.006845371772
  1  Al  8.049392736350  2.007714606972  1.960890157171  0.073407550050  0.073610966805  0.097962286680  0.000734436350  -0.001249596313  -0.001671626368
  2  Al  2.035222600630  8.068771064091  2.020107901754  0.121969661281  -0.013905855680  0.032843661599  0.000712928895  0.005406722248  0.002628135850
  3  Al  2.014499885380  2.017059031250  0.035302517901  -0.092412120956  0.049804569108  -0.311980243974  0.001582703252  -0.002429856852  -0.000732154992
  4  Al  0.002583057120  0.000062815277  4.073187618809  0.047328218467  0.033979897955  -0.093760569285  -0.000195620734  0.003902657092  -0.000492415939
  5  Al  0.069138722515  2.026635539956  6.041705993120  -0.173443281926  0.049535526859  0.149372782218  0.007200300111  0.001638147112  -0.004349414183
  6  Al  1.965508541160  8.084315299439  6.074379876344  0.079989077758  -0.035777264605  0.053751928127  -0.000786337351  -0.002086853650  0.002418083626
  7  Al  2.018118049094  2.040775230770  4.096369021525  -0.072735135494  -0.033247184895  -0.097213843867  -0.000505842522  0.000677859845  0.002185117817
  8  Al  8.060317329818  4.080276956250  8.047857564080  0.083994118734  -0.249573676370  -0.094655194512  -0.003281568658  0.000514042181  0.002475848628
  9  Al  8.096755264770  6.023862898047  1.992975557869  -0.009095931004  0.189590327123  0.201377529719  0.001562273145  0.001812897863  0.001946587554
  10  Al  2.047569388332  4.015793346061  2.018335146541  -0.011474079960  0.153710124175  0.118338581750  -0.000245223386  0.000627229980  -0.003700376529
  11  Al  2.104528993045  6.088936955364  8.079180757929  -0.089190699128  0.053110539417  0.078275473523  -0.005758071497  -0.004386895041  -0.001872716312
  12  Al  0.005350816992  4.029638010148  4.164678641417  0.000149305113  -0.039098466394  -0.146995651779  -0.002708449756  -0.004120016530  0.000621588322
  13  Al  8.079596430562  6.045131208164  6.019627945386  0.193193057981  -0.001882320460  0.135305916076  -0.004303345363  -0.002317172203  -0.008933776463
  14  Al  2.003097457771  4.033674308861  6.083383122210  -0.074386608695  -0.011556186033  0.045381999265  -0.001121615092  -0.002055634616  0.000343787862
  15  Al  2.079843438900  6.113065437975  4.030527289881  -0.113714941720  -0.137254673752  0.133424358045  0.004064704379  0.001221183549  0.000360545712
  16  Al  4.061334223050  0.027574899283  8.085465934834  -0.033801978499  -0.107665614090  0.137622634292  -0.003209334719  -0.000552079407  0.000177793402
  17  Al  4.054200486310  1.999782904942  2.042373879776  0.126613736025  -0.051129246184  -0.018873052051  0.000904769307  -0.001289185536  0.000847930176
  18  Al  6.056439867202  0.026805922206  1.990817959304  -0.140576997247  -0.114286530556  0.118889965408  -0.000318510161  -0.000101311347  0.004327093177
  19  Al  6.086239089671  2.043451508845  8.075730625653  -0.006510664128  -0.081053120998  0.048822360869  -0.000000823980  0.004914946525  0.002169057062
  20  Al  4.058733208168  0.014798420869  4.043868143802  0.033445878092  -0.167580355087  -0.187421571672  0.000748667800  0.002246847224  -0.002631089512
  21  Al  4.061684082565  1.996558027656  6.093788156964  -0.039283369115  0.144269426964  0.087475452714  -0.000722777150  -0.005660804329  0.003347834690
  22  Al  6.053311781257  0.064177102974  6.086559979080  0.086549391926  -0.027413718566  0.032019468350  0.004577388603  0.004695637913  0.002453454034
  23  Al  6.135346590923  1.977392563083  3.997199520406  -0.076936447134  0.151057894618  0.177331095394  0.000690513022  -0.000545848576  0.003721656775
  24  Al  4.020448027896  4.044919991669  0.029657787324  0.112366375065  0.030153845553  -0.090095487224  -0.002692284099  -0.000050261667  -0.000893551759
  25  Al  4.000120184240  6.124225717129  2.089699732471  0.121051507508  0.023577108908  -0.086097149508  -0.005156846886  -0.002798070332  0.004131564163
  26  Al  6.073970288780  4.086497491954  2.037830876654  -0.071597767072  -0.094051901222  0.030996868472  0.004081057132  0.001359982496  -0.000618787598
  27  Al  6.031795388358  6.102568794937  0.066063718018  -0.084580644688  -0.065747305590  -0.151031353474  -0.003747225672  -0.002528106320  0.001079980442
  28  Al  4.070942867191  4.072064491729  4.071891991449  -0.072390712995  0.026075016820  -0.145623019456  -0.001326294002  0.002181563137  -0.000405582466
  29  Al  4.054765536458  6.059119839116  6.089540859640  -0.045961279012  0.073480012687  0.063428474951  -0.002671778483  -0.003299284276  -0.002987575493
  30  Al  6.043155834976  3.992025631473  6.071261109145  0.165816966278  -0.006899478362  0.040311725889  0.001722144583  -0.001296546485  -0.002171534677
  31  Al  6.076393059521  6.063219684823  4.065787646785  -0.084926549742  0.090540434045  -0.264912186557  -0.002768253441  -0.000174220526  -0.000810073341


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)
  -80.046707677973  -0.238937014295  -0.621763206901
  -0.238937014295  -81.771586741236  0.265966311275
  -0.621763206901  0.265966311275  -79.751890248801
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.071686487684  8.099390317144  8.093315866083  0.052210319369  0.100136961814  -0.087403407735  0.001005601209  -0.003546786578  -0.006861613534
  1  Al  8.049763235816  2.007093099199  1.960058722866  0.075549289746  0.077371221067  0.101173760152  0.000747752984  -0.001236098614  -0.001653823749
  2  Al  2.035584517078  8.071473803628  2.021423437779  0.121527637228  -0.023353499669  0.036098948940  0.000734697379  0.005403391288  0.002634299270
  3  Al  2.015287106217  2.015846329070  0.034922495000  -0.099025090213  0.057766788995  -0.315036497128  0.001565588903  -0.002420240050  -0.000788209838
  4  Al  0.002487362307  0.002015662712  4.072937219776  0.050447168028  0.027135851575  -0.090255646043  -0.000186879684  0.003908120796  -0.000508866856
  5  Al  0.072731119719  2.027456827732  6.039537962938  -0.181117224935  0.049306910133  0.155818765498  0.007168602657  0.001646983555  -0.004322130278
  6  Al  1.965118947968  8.083270273383  6.075591320848  0.078440015626  -0.033842044411  0.045254517585  -0.000772173904  -0.002093077566  0.002426934731
  7  Al  2.017861876598  2.041112674555  4.097457235010  -0.069902657746  -0.039634596642  -0.098751309771  -0.003540051970  0.001232235698  -0.000194524251
  8  Al  8.058680299996  4.080522821487  8.049091257341  0.089866645353  -0.254983538886  -0.101139118926  -0.003266025631  0.000468935129  0.002458344757
  9  Al  8.097535994758  6.024777821598  1.993957853149  -0.012921362294  0.189820209485  0.204387936251  0.001560304815  0.001846816892  0.001982862695
  10  Al  2.047446263752  4.016113831838  2.016490247969  -0.013061250502  0.148627721782  0.117622596393  -0.000247416826  0.000654258766  -0.003679281769
  11  Al  2.101645970505  6.086745881866  8.078247898659  -0.080438275339  0.058919829611  0.079784196091  -0.005773236205  -0.004376879606  -0.001858585891
  12  Al  0.003996598788  4.027576254195  4.164982864925  -0.001428377136  -0.036971643451  -0.149470178359  -0.002708564104  -0.004126817143  0.000595084490
  13  Al  8.077453393541  6.043972537923  6.015167105280  0.200136874553  0.001416274880  0.139861842640  -0.004268181950  -0.002317213867  -0.008909176664
  14  Al  2.002533325170  4.032645974996  6.083557044700  -0.076103629341  -0.011960106443  0.047647263461  -0.001135068811  -0.002057736955  0.000352104612
  15  Al  2.081870708072  6.113669894515  4.030713526758  -0.124983926256  -0.131880911954  0.134790138496  0.004043364872  0.001197123021  0.000384523895
  16  Al  4.059728044755  0.027294046965  8.085560983217  -0.032867826471  -0.111556712685  0.134835652478  -0.003215294951  -0.000571677725  0.000202150977
  17  Al  4.054658530552  1.999136026716  2.042797001245  0.127824403853  -0.046273665535  -0.016883600111  -0.001220756971  -0.004366541722  -0.003138017245
  18  Al  6.056274328380  0.026750157965  1.992986820231  -0.143290103899  -0.119213563058  0.123571249280  -0.000343887676  -0.000122186087  0.004348769035
  19  Al  6.086238386657  2.045905359063  8.076817336525  -0.009037966776  -0.078959491393  0.044843795062  -0.005133329042  -0.004630176978  0.001715600699
  20  Al  4.059109037087  0.015914353700  4.042544221369  0.036049262428  -0.173110605800  -0.183974512552  0.000754880616  0.002216389697  -0.002664292055
  21  Al  4.061320938038  1.993734074283  6.095465984430  -0.039899337596  0.153176349797  0.080016945020  -0.000729856027  -0.005634212891  0.003362808390
  22  Al  6.055604344286  0.066523696547  6.087788137355  0.077599619970  -0.037025909990  0.019146181706  0.004592063407  0.004689877056  0.002458028206
  23  Al  6.135688408402  1.977126391029  3.999068275430  -0.076646613195  0.154494281469  0.175389734356  -0.001181472660  -0.004028016462  -0.003390031861
  24  Al  4.019106908583  4.044896208702  0.029206984209  0.115543487248  0.028480897101  -0.087350874840  -0.002671909121  -0.000045019763  -0.000909415336
  25  Al  3.997547171755  6.122827735852  2.091761666041  0.127746856779  0.025992207546  -0.089532990464  -0.005134604491  -0.002793638870  0.004115862955
  26  Al  6.076007616952  4.087173279116  2.037522868404  -0.079314516301  -0.092968092606  0.034347564159  0.004067565683  0.001343263043  -0.000612945853
  27  Al  6.029917994797  6.101301802896  0.066596957192  -0.085275596816  -0.067481391360  -0.149699695343  -0.003762410698  -0.002540016870  0.001053095303
  28  Al  4.070276484351  4.073156438841  4.071682690920  -0.064974608913  0.021413539214  -0.144533184790  -0.001338574362  0.002185808580  -0.000431522222
  29  Al  4.053427592764  6.057473481508  6.088049907124  -0.041403916487  0.080952609164  0.067311518393  -0.002679588868  -0.003285478110  -0.002975887432
  30  Al  6.044024319226  3.991377049826  6.070177143726  0.163583915462  -0.011668738038  0.038537931567  0.001751592785  -0.001298206470  -0.002164485574
  31  Al  6.075005136614  6.063136621685  4.065370768635  -0.084833215429  0.095872858286  -0.266409521466  -0.002783429842  -0.000157555312  -0.000857573119


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)
  -79.930791857175  -0.232423074339  -0.672495126197
  -0.232423074339  -81.737488293212  0.279781805759
  -0.672495126197  0.279781805759  -79.650080905838
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.072191622071  8.097621399941  8.089881152416  0.055802419862  0.103619998208  -0.077708360143  0.001015257470  -0.003528570853  -0.006876374407
  1  Al  8.050140489334  2.006478508358  1.959236333422  0.076041121891  0.081720633222  0.097302568661  0.000761305058  -0.001221875917  -0.001636080108
  2  Al  2.035957298009  8.074174455379  2.022742201024  0.122590316215  -0.033162788653  0.030445524840  -0.003754654150  0.003631189296  0.006732064520
  3  Al  2.016065474283  2.014638791199  0.034514308063  -0.103591303578  0.065978941080  -0.315006584670  0.001547475144  -0.002409177271  -0.000844535236
  4  Al  0.002396177435  0.003970936073  4.072678751953  0.049720774665  0.016433361831  -0.089241170317  -0.000177924742  0.003912015853  -0.000524913743
  5  Al  0.076307325172  2.028282523511  6.037383862842  -0.189114007368  0.049361649191  0.165303681781  0.007135504251  0.001655804453  -0.004293422162
  6  Al  1.964736367257  8.082222221873  6.076806811075  0.078253517627  -0.036244671408  0.043256338946  -0.000758165615  -0.002099343268  0.002434847538
  7  Al  2.016088725989  2.041727020752  4.097355558736  -0.063896347492  -0.040852386143  -0.101733571596  0.001543072318  0.000560321390  0.000112033545
  8  Al  8.057051304187  4.080745891379  8.050315908837  0.097433530539  -0.264429316177  -0.104122141328  -0.003249281130  0.000422499994  0.002439994548
  9  Al  8.098315569585  6.025709714939  1.994958420563  -0.018089546698  0.191212770300  0.204097457291  -0.000365290225  -0.002312465354  0.002210428015
  10  Al  2.047321971505  4.016447604827  2.014655864772  -0.014471327967  0.139813051724  0.111816157533  -0.000249878219  0.000680045164  -0.003658770110
  11  Al  2.098755756840  6.084560075758  8.077322172038  -0.070447292181  0.066062654721  0.083569836122  -0.005786725266  -0.004365706262  -0.001843982158
  12  Al  0.002642252888  4.025511193005  4.165273725907  -0.001543905376  -0.035370881008  -0.154001296309  0.000448751557  -0.002344234220  0.004200001286
  13  Al  8.075328248612  6.042813994297  6.010718768722  0.208567799731  0.006764229395  0.146134126210  -0.004231644046  -0.002316482536  -0.008883608830
  14  Al  2.001962388959  4.031616571906  6.083735226821  -0.078363609057  -0.012390232503  0.051813269857  -0.001148878071  -0.002059913858  0.000360996312
  15  Al  2.083886803771  6.114262560996  4.030911813776  -0.136274170323  -0.127285036479  0.137847039321  0.004020008586  0.001173953772  0.000408897463
  16  Al  4.058118928099  0.027003221558  8.085668085811  -0.033653838952  -0.115774643540  0.136166864339  -0.003221241940  -0.000592000985  0.000226378407
  17  Al  4.054053865771  1.996950687439  2.041227237932  0.131158626288  -0.039898428796  -0.018207310389  -0.001197604074  -0.004374245445  -0.003141154348
  18  Al  6.056095979526  0.026683736118  1.995166728339  -0.147727531285  -0.124901338003  0.120056563887  -0.000369904443  -0.000144009784  0.004370549186
  19  Al  6.083671318142  2.043586741113  8.077677141377  -0.006566724486  -0.067948686807  0.047754743744  -0.005134724090  -0.004643310463  0.001723878942
  20  Al  4.059488088784  0.017014810566  4.041203851747  0.039334286636  -0.180600350665  -0.184955643755  0.000761619851  0.002184768192  -0.002697274145
  21  Al  4.060954226539  1.990923814765  6.097150965353  -0.044315263292  0.161176197471  0.078701340084  0.000888263164  0.003526608923  0.000393805851
  22  Al  6.057903844664  0.068866980030  6.089018007286  0.069435304618  -0.050609886182  0.010120736404  0.004605208223  0.004682042479  0.002460644647
  23  Al  6.135094245996  1.975119288637  3.997381099358  -0.072917436568  0.161721835089  0.177511327225  -0.001194843579  -0.003999746968  -0.003358482760
  24  Al  4.017776118775  4.044874971906  0.028748371988  0.114106640734  0.023324266591  -0.081371160570  -0.002651378565  -0.000040388419  -0.000924498964
  25  Al  3.994985579748  6.121432078259  2.093815595425  0.133618932629  0.031493889553  -0.100038465784  -0.005111238578  -0.002788499655  0.004098915403
  26  Al  6.078037854463  4.087840754997  2.037217930801  -0.086706191592  -0.095822282798  0.033627643270  0.004052723551  0.001326385320  -0.000606868918
  27  Al  6.028032977660  6.100028778068  0.067116813321  -0.085584485743  -0.063411486294  -0.146282701001  -0.003777685466  -0.002551718599  0.001026634689
  28  Al  4.069604292829  4.074250300309  4.071460469227  -0.062398873733  0.015165657001  -0.146831956333  -0.001349961460  0.002189078734  -0.000457570056
  29  Al  4.052085947590  6.055834361006  6.086564972208  -0.040646211618  0.090572690592  0.074760984260  -0.002686924091  -0.003270143872  -0.002963186252
  30  Al  6.044907427761  3.990727425003  6.069096623571  0.162246505305  -0.018509090301  0.039700900782  0.001780721790  -0.001300904346  -0.002157491079
  31  Al  6.073609629679  6.063062129511  4.064930073666  -0.082001709431  0.102789679788  -0.270486742364  -0.002798344764  -0.000139795024  -0.000905571259


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)
  -79.817804905386  -0.208372433685  -0.694860821467
  -0.208372433685  -81.683930807646  0.303428730117
  -0.694860821467  0.303428730117  -79.525511246453
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.072701745154  8.095861746291  8.086439491677  0.054899758651  0.106936426051  -0.067892564410  0.001025154165  -0.003509747260  -0.006889391025
  1  Al  8.050524540874  2.005871223282  1.958422642758  0.076374985003  0.080482241982  0.097426378153  -0.001404464847  0.000197297195  0.000843218570
  2  Al  2.034085450677  8.075988567663  2.026109594187  0.128136139971  -0.037711307812  0.025445217700  -0.003732239386  0.003624853203  0.006737061112
  3  Al  2.016834581361  2.013437151799  0.034077959764  -0.105621267424  0.075674717259  -0.317187943347  0.001528771690  -0.002396513536  -0.000901052972
  4  Al  0.002309437565  0.005927678565  4.072412306034  0.048832419328  0.007211876102  -0.087733628957  -0.000169114158  0.003914129720  -0.000540735162
  5  Al  0.079866623970  2.029112632185  6.035244540776  -0.196658872962  0.049627125574  0.171128832874  0.007101016433  0.001664653978  -0.004263345338
  6  Al  1.964360782353  8.081170930115  6.078026168386  0.078931783668  -0.036761668296  0.035813020343  -0.000744113362  -0.002105869982  0.002441916282
  7  Al  2.016857406005  2.042005355360  4.097407028055  -0.063886775108  -0.040071414972  -0.101732145425  0.001531648599  0.000553086861  0.000093843857
  8  Al  8.055431018866  4.080945321481  8.051531251889  0.104268124390  -0.273136757630  -0.111994899997  -0.003231249147  0.000374441974  0.002420673840
  9  Al  8.098132115877  6.024562029404  1.996072757654  -0.021705601478  0.199591266170  0.207705058274  -0.000368847883  -0.002277527755  0.002247242863
  10  Al  2.047196385533  4.016793877002  2.012831477859  -0.013608672562  0.130205745551  0.111129536905  -0.000252388551  0.000704184650  -0.003638838925
  11  Al  2.095859245239  6.082380175604  8.076403916500  -0.062380239053  0.071188775918  0.084354106932  -0.005798599952  -0.004353436083  -0.001828969879
  12  Al  0.002866559654  4.024337494829  4.167366842748  -0.003146589782  -0.036191419584  -0.161161115700  0.000448332230  -0.002350631838  0.004171825993
  13  Al  8.073221749495  6.041656055388  6.006283496450  0.216433177816  0.013737415106  0.151633624604  -0.004193649265  -0.002314649703  -0.008856988607
  14  Al  2.001384447099  4.030586061138  6.083918041011  -0.076491303050  -0.013967367501  0.053172948530  -0.001162721989  -0.002062270208  0.000370382004
  15  Al  2.085890716658  6.114843848287  4.031122424221  -0.147308431282  -0.124620759938  0.144999693373  0.003994656505  0.001151433575  0.000434183757
  16  Al  4.056506802814  0.026702045980  8.085787361624  -0.031851570238  -0.115140777367  0.132921256399  -0.003227098077  -0.000612644657  0.000250434692
  17  Al  4.053460926478  1.994761781271  2.039655846898  0.133918772944  -0.034470023694  -0.016231617377  -0.002567771438  -0.002205060053  0.002263102932
  18  Al  6.055904423937  0.026606148181  1.997357369417  -0.149006496001  -0.128561820732  0.119687297786  -0.000396432252  -0.000166669208  0.004391982115
  19  Al  6.081103662567  2.041262048599  8.078541215467  -0.006112112425  -0.059546020173  0.047694828360  -0.005135857569  -0.004654708399  0.001732412065
  20  Al  4.059870656938  0.018099121892  4.039846947224  0.043353484084  -0.185145916353  -0.184036787435  0.000769012078  0.002152070739  -0.002730261803
  21  Al  4.061396377244  1.992694323745  6.097351386201  -0.048302396769  0.157162640999  0.079763725519  0.000879983212  0.003555068186  0.000407972514
  22  Al  6.060209552509  0.071205739026  6.090248782003  0.059500718872  -0.060992051931  -0.000296615750  0.004616735011  0.004672065346  0.002461522917
  23  Al  6.134493564823  1.973126644060  3.995709792670  -0.070608686906  0.167242588636  0.181856411459  -0.001207674711  -0.003970337786  -0.003326355542
  24  Al  4.016455530018  4.044855820283  0.028282485245  0.113562017393  0.015204319403  -0.078779841432  -0.002631025151  -0.000036943991  -0.000938816348
  25  Al  3.992435933177  6.120039236197  2.095860581444  0.139389149956  0.038103946479  -0.106503813887  -0.005086831852  -0.002782277658  0.004080450672
  26  Al  6.080060340503  4.088499664435  2.036915999486  -0.098212990174  -0.100153079874  0.034203159311  0.004036191909  0.001308865263  -0.000600804893
  27  Al  6.026140309331  6.098750084297  0.067623591882  -0.084900022031  -0.058053944864  -0.146136707342  -0.003792926658  -0.002562577521  0.001000492605
  28  Al  4.068926522891  4.075345517575  4.071225120864  -0.062232312767  0.007751510878  -0.144517267882  0.002004036730  0.000677263004  0.001297270375
  29  Al  4.050740668673  6.054203337636  6.085086720872  -0.039284749133  0.097992228454  0.077723867136  -0.002694069861  -0.003253286304  -0.002949554216
  30  Al  6.045805041016  3.990076145480  6.068019652647  0.161966785792  -0.024764418879  0.038636196228  0.001809706225  -0.001304772967  -0.002150487799
  31  Al  6.072206791850  6.062996826661  4.064465197376  -0.078248228724  0.111175925039  -0.271090210945  -0.002812670993  -0.000120666653  -0.000953987849


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)
  -79.701977867293  -0.176501152150  -0.719140610824
  -0.176501152150  -81.640026848416  0.317834157635
  -0.719140610824  0.317834157635  -79.376585089255
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.073216776236  8.094111652681  8.082991761391  0.054462831678  0.106963077313  -0.053991243493  0.001034931102  -0.003490624798  -0.006900287349
  1  Al  8.049825722385  2.005973469407  1.958848606968  0.079095134809  0.078241076288  0.091016705079  -0.001390565930  0.000211486946  0.000860065246
  2  Al  2.032225058623  8.077799308583  2.029479262135  0.132507051180  -0.045428033121  0.018181843555  -0.003708938072  0.003617420606  0.006740961340
  3  Al  2.017594245973  2.012242277663  0.033613255091  -0.109655666721  0.085220061820  -0.315577283951  0.001509526087  -0.002382129659  -0.000957621728
  4  Al  0.002227063278  0.007885065793  4.072138016791  0.048939186876  -0.002246382180  -0.088329756183  -0.000160373447  0.003914573631  -0.000556475102
  5  Al  0.083408341605  2.029947177489  6.033120517504  -0.204611269354  0.048896640069  0.179904692390  0.007065143171  0.001673461932  -0.004231963193
  6  Al  1.963992253895  8.080116351891  6.079248727356  0.078479629459  -0.038705348542  0.030366685209  -0.000730040895  -0.002112616679  0.002447832700
  7  Al  2.017620374588  2.042280107613  4.097449402593  -0.061728494790  -0.040213363704  -0.102934705077  0.001520418684  0.000545909459  0.000075546788
  8  Al  8.053820055040  4.081120333353  8.052736582677  0.109985873967  -0.276401122933  -0.114779935206  -0.003212094994  0.000325313683  0.002400400333
  9  Al  8.097946721703  6.023432187185  1.997205663427  -0.025763497599  0.206340557082  0.203934882795  -0.000373091586  -0.002241237742  0.002284043178
  10  Al  2.047069582954  4.017151789477  2.011017025847  -0.013324663544  0.124489249505  0.107146594352  -0.000254796372  0.000726954199  -0.003619325196
  11  Al  2.092957156888  6.080206639675  8.075493202159  -0.056721630494  0.075357546222  0.089649415303  -0.005809247573  -0.004340334947  -0.001813414089
  12  Al  0.003090585118  4.023160561166  4.169445551900  -0.005884331671  -0.035885218694  -0.170794626272  0.000447524872  -0.002357075438  0.004142149389
  13  Al  8.071134599347  6.040499344594  6.001861780115  0.225656211531  0.019465720893  0.162201424688  -0.004154126792  -0.002311681367  -0.008828931980
  14  Al  2.000799666970  4.029554301698  6.084105608825  -0.074737272372  -0.012817812674  0.057624967014  -0.001176241715  -0.002064664784  0.000380287258
  15  Al  2.087881460277  6.115413994571  4.031345997533  -0.157661245376  -0.122171210313  0.149153485846  0.003967392436  0.001129370550  0.000460480840
  16  Al  4.054891830022  0.026390576900  8.085918520503  -0.031594347145  -0.117797481364  0.134389470101  -0.003232770096  -0.000633469170  0.000274332078
  17  Al  4.052183026880  1.993657710447  2.040786672816  0.139409944369  -0.030653452219  -0.020829939297  -0.002543336048  -0.002210882045  0.002259789656
  18  Al  6.055699547274  0.026517066910  1.999558710453  -0.149979679991  -0.133906087936  0.117116480101  -0.000423161401  -0.000190133650  0.004413152202
  19  Al  6.078535460574  2.038932032714  8.079409553442  -0.003157458611  -0.047769620650  0.051895792033  -0.005136686262  -0.004664302340  0.001741315395
  20  Al  4.060257100862  0.019166881306  4.038473589944  0.046564146588  -0.189852960364  -0.185038626529  0.000777050650  0.002118546109  -0.002763256879
  21  Al  4.061834209750  1.994478882952  6.097558937868  -0.052237828801  0.154575767274  0.079403464530  0.000870994988  0.003582937376  0.000422201946
  22  Al  6.062520579675  0.073539045376  6.091479530202  0.050630935706  -0.072124397677  -0.009150683904  0.004626580701  0.004660164831  0.002460678335
  23  Al  6.133886571285  1.971148950851  3.994054743815  -0.070107657367  0.174214707087  0.185195113761  -0.001220254651  -0.003939811749  -0.003293541400
  24  Al  4.015145093624  4.044838027915  0.027809555640  0.114429162348  0.011460066186  -0.072077421246  -0.002610642903  -0.000034560214  -0.000952302879
  25  Al  3.989898747896  6.118649800601  2.097896046097  0.145068390871  0.042861429600  -0.116394032775  -0.005061401552  -0.002775039412  0.004060523765
  26  Al  6.082074046372  4.089149620260  2.036617125908  -0.109296195017  -0.101342467844  0.030906227280  0.004017640737  0.001290851706  -0.000594984161
  27  Al  6.024240051002  6.097466200546  0.068117305926  -0.082432073502  -0.056085391416  -0.140945000186  -0.003807886027  -0.002572781496  0.000974827707
  28  Al  4.069925759494  4.075684495567  4.071867296181  -0.065563180871  0.002730253893  -0.147313287967  0.001992611905  0.000678200066  0.001271180933
  29  Al  4.049391877729  6.052581074702  6.083615417992  -0.037606173962  0.103700292942  0.083508967086  -0.002700943854  -0.003235255138  -0.002935140117
  30  Al  6.046717133986  3.989422652036  6.066946135772  0.162060289445  -0.028785749691  0.041618057086  0.001838674012  -0.001309560314  -0.002143313126
  31  Al  6.070796958686  6.062941462858  4.063976085817  -0.075226121639  0.117669655149  -0.275057726126  -0.002826391490  -0.000100208023  -0.001002813081


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)
  -79.576687390901  -0.142076366102  -0.745016825788
  -0.142076366102  -81.588647634596  0.333358150091
  -0.745016825788  0.333358150091  -79.214772678209
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.073736676256  8.092371121493  8.079539204327  0.054799456550  0.108808052523  -0.042245079117  0.001044699072  -0.003471335014  -0.006908890807
  1  Al  8.049133974944  2.006082710228  1.959282708005  0.082160413794  0.075473914071  0.089466804335  -0.001376149800  0.000225228955  0.000876200342
  2  Al  2.030376512605  8.079605988269  2.032850555527  0.136968186691  -0.050584805711  0.013913038816  -0.003684847180  0.003608837127  0.006743830599
  3  Al  2.018344107448  2.011055022140  0.033120338036  -0.113112758630  0.093678343457  -0.315867854267  0.001489610750  -0.002366136270  -0.001014072469
  4  Al  0.002149064118  0.009842252197  4.071855830932  0.049610135716  -0.009560179396  -0.086780561762  -0.000151563208  0.003913518133  -0.000572129839
  5  Al  0.086931767141  2.030786094118  6.031012577582  -0.211984396393  0.047478530357  0.184587708554  0.007027899819  0.001682077803  -0.004199377835
  6  Al  1.963630741459  8.079058313436  6.080474001086  0.078656038822  -0.038899076936  0.021495481707  -0.000715993079  -0.002119554459  0.002452469140
  7  Al  2.018377824689  2.042551264820  4.097482574842  -0.060161532580  -0.040822637008  -0.102316551179  0.001509521803  0.000538664899  0.000057197473
  8  Al  8.052218923872  4.081270635164  8.053931652222  0.116618464453  -0.281225183777  -0.120069667471  -0.003191836729  0.000275462292  0.002379404948
  9  Al  8.097759024290  6.022320791662  1.998356800831  -0.029051581472  0.213548340260  0.204018142888  -0.000954743001  0.003154112444  0.001650084078
  10  Al  2.046941589161  4.017520831201  2.009212152663  -0.012947782585  0.116814312662  0.106947275960  -0.000257145110  0.000748526564  -0.003600185358
  11  Al  2.090049997665  6.078039840657  8.074590502411  -0.050404680068  0.080262339234  0.092305399959  0.000175532617  0.002810551590  -0.003158607268
  12  Al  0.003314084526  4.021980419391  4.171508992137  -0.008464405668  -0.037696096766  -0.179257427916  -0.001121551106  -0.002133274755  0.002788987854
  13  Al  8.069067622703  6.039344374021  5.997454564470  0.235583072183  0.025742565401  0.168847477524  -0.004112892332  -0.002307639779  -0.008799336446
  14  Al  2.000208205384  4.028521396354  6.084298328269  -0.072905448702  -0.013286660467  0.058192247828  -0.001189440868  -0.002066998505  0.000390641234
  15  Al  2.089858109093  6.115973218837  4.031582905060  -0.168807454635  -0.119426936340  0.155932259700  0.003938206369  0.001107771850  0.000487755286
  16  Al  4.053274032718  0.026068576810  8.086061693703  -0.032377800809  -0.118863933657  0.133158826129  -0.003238489160  -0.000654626530  0.000298250703
  17  Al  4.050917590430  1.992550899226  2.041915636553  0.143967635081  -0.026698276885  -0.021142576182  -0.002518002296  -0.002216009248  0.002256037343
  18  Al  6.055481262536  0.026416014531  2.001770521619  -0.150612864996  -0.137098034531  0.117907842602  -0.000450034158  -0.000214361224  0.004434163207
  19  Al  6.075966976306  2.036597746259  8.080282530862  -0.000504628825  -0.036939617208  0.053879172585  -0.005137013650  -0.004671875285  0.001750771601
  20  Al  4.060647707587  0.020217668001  4.037083690344  0.049158845765  -0.192265462272  -0.182832516892  -0.003879411037  -0.000061669375  0.000428951396
  21  Al  4.062267372232  1.996277261121  6.097773588147  -0.056965047934  0.150684170057  0.075415402983  0.000861232329  0.003610227395  0.000436042642
  22  Al  6.064836133210  0.075865903857  6.092709460337  0.041338991512  -0.081696470950  -0.021845985111  0.004634802747  0.004646413356  0.002457907255
  23  Al  6.133273310172  1.969186832311  3.992416251270  -0.069424507374  0.181368300946  0.190765772167  -0.001232728726  -0.003908022884  -0.003259930768
  24  Al  4.013844887115  4.044821260069  0.027330182366  0.114157121148  0.006063411214  -0.067148231137  -0.002590207454  -0.000032993628  -0.000964749552
  25  Al  3.987374531625  6.117264196785  2.099921105208  0.149996965800  0.047709006489  -0.123576103915  -0.000161619448  -0.001214400867  0.000453959379
  26  Al  6.084077981240  4.089790516141  2.036321015325  -0.120479951464  -0.104586549907  0.032313176277  0.003997098915  0.001272441800  -0.000589332392
  27  Al  6.022332423304  6.096177302802  0.068598419588  -0.080242851409  -0.053061503952  -0.137954247203  -0.003822429049  -0.002582539150  0.000949894315
  28  Al  4.070919134796  4.076023717641  4.072496301797  -0.068518978502  -0.004887159389  -0.147772916735  0.001980625056  0.000678007240  0.001244800439
  29  Al  4.048039724819  6.050968082499  6.082151580755  -0.036561697319  0.110401662341  0.086029777404  -0.002707574408  -0.003216114577  -0.002919983475
  30  Al  6.047643715029  3.988766585166  6.065876339521  0.162233511230  -0.034677756372  0.039939958209  0.001867665645  -0.001315233905  -0.002136021898
  31  Al  6.069380400360  6.062896618638  4.063462384295  -0.071720469382  0.124243392511  -0.276306046742  -0.002839528409  -0.000078581170  -0.001052104606


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)
  -79.473710169425  -0.087557825137  -0.759077914114
  -0.087557825137  -81.474522112555  0.329097345313
  -0.759077914114  0.329097345313  -79.121056865151
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.074261475308  8.090640317666  8.076082870584  0.058357698398  0.112249246391  -0.030147401417  0.001054815240  -0.003451572651  -0.006915362643
  1  Al  8.048449572585  2.006198698362  1.959724807310  0.086769370846  0.069753733720  0.087817445902  -0.003431540266  0.002230776423  -0.001756588786
  2  Al  2.028540211444  8.081408145710  2.036223092734  0.140443605080  -0.054139296899  0.005580145120  -0.003660046765  0.003599474868  0.006745573276
  3  Al  2.019083856724  2.009876141393  0.032599182623  -0.115440886849  0.095730180734  -0.317432917823  0.001469178219  -0.002349203284  -0.001070689102
  4  Al  0.002075500070  0.011798583927  4.071565886952  0.054349161287  -0.013566196762  -0.086900417148  -0.000142269322  0.003911450652  -0.000587656793
  5  Al  0.090436241424  2.031629255292  6.028921139669  -0.216837648336  0.043749788411  0.190601146464  0.006989563436  0.001690233549  -0.004165836221
  6  Al  1.963276260816  8.077996797432  6.081701196496  0.077855995808  -0.036873164252  0.016615202581  -0.000702001016  -0.002126328443  0.002455876208
  7  Al  2.019129896392  2.042818772512  4.097506600066  -0.063472333951  -0.043618419429  -0.101188024778  0.001498469025  0.000531115930  0.000039004310
  8  Al  8.050628218311  4.081395795645  8.055115987624  0.122379096401  -0.282939172722  -0.124836130986  -0.003170470519  0.000225026405  0.002357510545
  9  Al  8.097280354195  6.023907393419  1.999190962408  -0.032998250758  0.215355260803  0.201580451846  -0.000960290211  0.003192456118  0.001686344300
  10  Al  2.046812437845  4.017900316041  2.007416840489  -0.013477332240  0.111029729347  0.105076688496  -0.000259507496  0.000768895657  -0.003581230568
  11  Al  2.090135510903  6.079448704149  8.073015324795  -0.049388598303  0.079926499499  0.095086906521  0.000166611169  0.002824872357  -0.003141854531
  12  Al  0.002752930617  4.020912097011  4.172895473321  -0.010858121655  -0.040884431077  -0.186747248334  -0.001123278526  -0.002140299798  0.002756267299
  13  Al  8.067021707016  6.038191704815  5.993062443668  0.246731533497  0.033419570871  0.178198544980  -0.004069773753  -0.002302350726  -0.008768310782
  14  Al  1.999610226102  4.027487303192  6.084496250059  -0.068736136544  -0.011806857764  0.060705695513  -0.001202103524  -0.002069241848  0.000401270624
  15  Al  2.091819666645  6.116521766421  4.031833752819  -0.177609724782  -0.115190719637  0.160573327532  0.003907236922  0.001086797200  0.000516050657
  16  Al  4.051653340862  0.025735950370  8.086216771206  -0.033284930667  -0.119679681103  0.132665659231  -0.003244359361  -0.000675952158  0.000322015221
  17  Al  4.049665024584  1.991441701198  2.043042710159  0.150020052258  -0.024950507148  -0.026697930914  -0.002491720008  -0.002220626612  0.002251760436
  18  Al  6.055249513117  0.026302705687  2.003992873661  -0.151285138007  -0.139518554375  0.113902738241  0.002793026441  -0.001235968430  -0.003066492934
  19  Al  6.073398446924  2.034260157430  8.081160325043  0.000647077987  -0.026412170603  0.058146090479  -0.005137000915  -0.004677538889  0.001760786579
  20  Al  4.058710199451  0.020178239117  4.037289993495  0.055229154065  -0.191910578540  -0.185362794833  0.000130333652  -0.000258660219  -0.003656161295
  21  Al  4.062695442080  1.998089110346  6.097994980509  -0.064369197039  0.146498394701  0.076303856975  0.000850385135  0.003636795302  0.000449606234
  22  Al  6.067155382421  0.078185458733  6.093937437457  0.031843740346  -0.092335257004  -0.029023915850  0.004641345230  0.004630855045  0.002453359522
  23  Al  6.132653842559  1.967240927967  3.990794813048  -0.068153114802  0.188410169383  0.194012521864  -0.001245028066  -0.003874964955  -0.003225531865
  24  Al  4.012554886170  4.044805034288  0.026844806088  0.117937933128  0.004649788228  -0.064324525987  -0.002569458323  -0.000032035875  -0.000976503122
  25  Al  3.987300426711  6.116659128927  2.100142561090  0.149980194427  0.052515349512  -0.128459414365  -0.000134801706  -0.001205440881  0.000431427585
  26  Al  6.086071145287  4.090422062060  2.036027793516  -0.131755006614  -0.103918860686  0.031580332037  0.003974549291  0.001253801567  -0.000583620358
  27  Al  6.020417621953  6.094883661397  0.069067200240  -0.082162235476  -0.051058176920  -0.135488047038  -0.003836947946  -0.002591847374  0.000925448770
  28  Al  4.071906384551  4.076362502807  4.073112096620  -0.068514094301  -0.008057986618  -0.146912991713  0.001968374398  0.000676849954  0.001218455730
  29  Al  4.046684303320  6.049364960125  6.080695434517  -0.033620813776  0.113923583351  0.093143363033  -0.002713848674  -0.003196060062  -0.002903965525
  30  Al  6.048584799631  3.988107418130  6.064810113874  0.158313704485  -0.035573706634  0.040476776217  -0.006323106068  -0.000496656646  -0.001416701049
  31  Al  6.067957430276  6.062862881688  4.062923981211  -0.068894753914  0.125222443223  -0.278545131848  -0.002852099309  -0.000056279104  -0.001101707902


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)
  -79.334491417975  -0.015212654655  -0.759658331323
  -0.015212654655  -81.385766757022  0.323123949104
  -0.759658331323  0.323123949104  -78.981918533149
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.074791491496  8.088919548842  8.072623841684  0.057512201682  0.115582559201  -0.018412135519  0.001065173926  -0.003431204652  -0.006919703831
  1  Al  8.046737681011  2.007317204541  1.958850438326  0.090474179314  0.060549281365  0.090571455267  0.000788012916  0.003130771408  -0.001251725635
  2  Al  2.026716465840  8.083205463137  2.039596128803  0.143788443192  -0.059174720777  -0.002098067654  -0.003634636624  0.003589344676  0.006745884571
  3  Al  2.019813285667  2.008705818856  0.032049648934  -0.117905524201  0.097803889784  -0.320637510348  0.001448317218  -0.002331901478  -0.001127732139
  4  Al  0.002006794797  0.013753702848  4.071268174139  0.055080306761  -0.019996487213  -0.089152116414  -0.000132486406  0.003908450172  -0.000603395763
  5  Al  0.093921330577  2.032476327667  6.026846741361  -0.224978965193  0.041335855889  0.194830017817  0.006950065349  0.001697840144  -0.004131378952
  6  Al  1.962928740443  8.076931984994  6.082929877294  0.076638095486  -0.036120484891  0.008837520649  -0.000688189355  -0.002132854022  0.002458151663
  7  Al  2.019876293714  2.043082380750  4.097521579153  -0.066623321018  -0.042683202750  -0.099706578334  0.001486838567  0.000523400627  0.000021044477
  8  Al  8.049048453353  4.081495661568  8.056289162767  0.122482377313  -0.283268950585  -0.131865169578  -0.003148580080  0.000174407806  0.002334561634
  9  Al  8.096798734079  6.025513247780  2.000043145132  -0.041397151842  0.217973195348  0.202746020419  -0.000966941106  0.003231195370  0.001722490796
  10  Al  2.046682081665  4.018289726859  2.005630922095  -0.013863191069  0.107547671907  0.110250398387  -0.000261951719  0.000788436320  -0.003561980482
  11  Al  2.090216608835  6.080864713014  8.071448647880  -0.047796512796  0.079151239298  0.095434843764  0.000157922890  0.002839093793  -0.003124822024
  12  Al  0.002190806000  4.019840119593  4.174265259436  -0.015549393895  -0.041562725338  -0.193139671688  -0.001125639339  -0.002147670514  0.002722305682
  13  Al  8.064997848950  6.037042023295  5.988686253688  0.254691306328  0.039877118182  0.184465214497  -0.004024946912  -0.002295798055  -0.008735888902
  14  Al  1.999006101860  4.026452154506  6.084699598893  -0.063394160875  -0.007942203162  0.059192950819  -0.001213915877  -0.002071007400  0.000411989477
  15  Al  2.093765346016  6.117060016038  4.032098955718  -0.185744281209  -0.114853102100  0.165432100012  0.003874753336  0.001066231448  0.000545195308
  16  Al  4.050029673357  0.025392624653  8.086383708923  -0.030888590435  -0.122211240779  0.130009585793  0.003750225150  0.002273293238  -0.000202179060
  17  Al  4.048425870422  1.990330272614  2.044167396990  0.158597457345  -0.020647934053  -0.031129545364  -0.002464129825  -0.002224703080  0.002246590701
  18  Al  6.056639263946  0.025678485042  2.002464718605  -0.149621509857  -0.140607931003  0.120555464387  0.002766125604  -0.001261011537  -0.003045532539
  19  Al  6.070829975391  2.031920207371  8.082043317441  0.002453239219  -0.016299362079  0.060134146806  -0.005136723749  -0.004681357269  0.001771360747
  20  Al  4.058777835001  0.020040330673  4.035453627197  0.058036552261  -0.193650611240  -0.181056505112  0.000140459525  -0.000293129112  -0.003688918917
  21  Al  4.063117757368  1.999914056423  6.098223194381  -0.070823625657  0.143928541022  0.074463045330  0.000838298994  0.003662759261  0.000463084687
  22  Al  6.069477478440  0.080496758903  6.095162819860  0.023072912217  -0.105044205442  -0.036303295001  0.004646254740  0.004613209463  0.002447519317
  23  Al  6.132028282106  1.965311867356  3.989190719405  -0.066029084150  0.197076623002  0.196028241591  -0.001257023859  -0.003840502713  -0.003190662501
  24  Al  4.011275428792  4.044789224194  0.026353679243  0.124166953811  0.004902162920  -0.065004011310  0.002122714131  0.001701911867  0.003234703651
  25  Al  3.987239729919  6.116058755904  2.100352532793  0.152647265767  0.053993768502  -0.130374976948  -0.000107747029  -0.001195919043  0.000408287977
  26  Al  6.088052530531  4.091044317708  2.035737394966  -0.143548950019  -0.100793122932  0.033987551633  0.003949937316  0.001235500463  -0.000577758637
  27  Al  6.018495475358  6.093585455428  0.069523868359  -0.083533845322  -0.049686433132  -0.135394071095  -0.003851761057  -0.002600853870  0.000901232104
  28  Al  4.072887509194  4.076700567595  4.073714757527  -0.068456764899  -0.008035808884  -0.145780514900  0.001956129302  0.000675411180  0.001192289142
  29  Al  4.045325876145  6.047772022437  6.079247615230  -0.028420289697  0.114453343081  0.097919004214  -0.002719395104  -0.003175643329  -0.002886884687
  30  Al  6.045430323162  3.987857499675  6.064103572647  0.164466557669  -0.034777505817  0.036611431579  -0.006294249745  -0.000502945994  -0.001409809419
  31  Al  6.066528301051  6.062840339534  4.062360676393  -0.065532686230  0.123180782675  -0.281414823699  -0.002864117025  -0.000034072034  -0.001151767919


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)
  -79.210262824799  0.048862077359  -0.771621016821
  0.048862077359  -81.285333078083  0.316437485470
  -0.771621016821  0.316437485470  -78.835521323390
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.075326649234  8.087209113015  8.069163166753  0.055247571988  0.121933412502  -0.005534610467  0.001075254569  -0.003409970895  -0.006921844653
  1  Al  8.047135731632  2.008885296776  1.958228624019  0.089782375937  0.050678153870  0.089588509505  0.000804127722  0.003140715061  -0.001235619464
  2  Al  2.024905574820  8.084997490386  2.042968977305  0.149987167946  -0.061433025577  -0.010383894584  -0.003608373296  0.003578562430  0.006744768692
  3  Al  2.020532173942  2.007544239916  0.031471450484  -0.117177734122  0.099382283227  -0.320723303546  0.001427300944  -0.002314273176  -0.001185069334
  4  Al  0.001943013664  0.015707034099  4.070962491190  0.058216771845  -0.025351567757  -0.093787356333  -0.000122357729  0.003904396089  -0.000619750420
  5  Al  0.097386306773  2.033327095437  6.024789760717  -0.231433656281  0.035861073915  0.203340223784  0.006909262389  0.001704741494  -0.004095782819
  6  Al  1.962588071461  8.075863943410  6.084159348159  0.077101938174  -0.031494801272  0.002982051769  -0.000674445107  -0.002138898780  0.002459208324
  7  Al  2.020616734959  2.043342173139  4.097527644543  -0.066198515047  -0.041680612911  -0.101393861519  0.001474964390  0.000515858562  0.000003066243
  8  Al  8.047479638231  4.081570203451  8.057450549258  0.122765401475  -0.286055415420  -0.133758987808  -0.003126655105  0.000123510617  0.002310815025
  9  Al  8.096313413088  6.027138588788  2.000913453204  -0.048677884894  0.221685001610  0.200394435737  -0.000974993750  0.003270500496  0.001758531263
  10  Al  2.046550486126  4.018688752361  2.003854860007  -0.010909791063  0.100519849121  0.114718876834  -0.000264166406  0.000807037406  -0.003541868390
  11  Al  2.090293433793  6.082287797942  8.069890502771  -0.043664993380  0.079923643808  0.099578117770  0.004205841861  -0.000866227142  -0.001661254342
  12  Al  0.001627291279  4.018764426497  4.175617779003  -0.016762028845  -0.046116114370  -0.202234180780  -0.001128527957  -0.002155508940  0.002686959544
  13  Al  8.062996760104  6.035895906760  5.984326554766  0.261184518403  0.049896020806  0.194356268812  -0.003978827984  -0.002287772401  -0.008702022534
  14  Al  1.998396310225  4.025416295793  6.084908239535  -0.054148348574  -0.007893222807  0.059175579606  -0.001224424093  -0.002072423075  0.000422571538
  15  Al  2.095694419981  6.117587997869  4.032378948127  -0.190754697251  -0.112968389357  0.165720083086  0.002598960004  0.003855905360  0.002570033548
  16  Al  4.051903405223  0.026523808473  8.086288430775  -0.037847476773  -0.125872199859  0.130936005261  0.003744080195  0.002251114757  -0.000178850712
  17  Al  4.047200894759  1.989216998118  2.045289300861  0.163129807584  -0.016055256178  -0.037838045744  -0.002435367639  -0.002227984319  0.002240425048
  18  Al  6.058015638720  0.025041694150  2.000947341122  -0.146111301134  -0.139933785288  0.121188246043  0.002739687303  -0.001286091764  -0.003023920826
  19  Al  6.068261723176  2.029578800161  8.082931685789  0.006619607850  -0.007874248501  0.065302099372  -0.005135912643  -0.004683518372  0.001782574657
  20  Al  4.058850658977  0.019885110005  4.033601074578  0.055782832287  -0.192484429079  -0.180079972289  0.000150634896  -0.000327649307  -0.003721204258
  21  Al  4.063533741074  2.001751869607  6.098458065196  -0.079622868747  0.140744164091  0.076231867862  0.000824849186  0.003688208796  0.000476556704
  22  Al  6.071801637161  0.082798668196  6.096384956774  0.017136955513  -0.114787771367  -0.037485745004  0.004649849473  0.004593556643  0.002440922630
  23  Al  6.131396818700  1.963400425254  3.987604150546  -0.062366349224  0.204420732988  0.194876862683  -0.001268502318  -0.003804609138  -0.003155715866
  24  Al  4.012342336075  4.045640399252  0.027968125413  0.123361795682  -0.000165684313  -0.067078190687  0.002144843023  0.001702335305  0.003222895597
  25  Al  3.987192679683  6.115463209885  2.100550849067  0.153743427490  0.056789726003  -0.135037842496  -0.000080355921  -0.001186015078  0.000384560262
  26  Al  6.090021082603  4.091657562523  2.035450034879  -0.153791855057  -0.099742474754  0.030375598750  -0.000559734445  0.002059159689  -0.002189123933
  27  Al  6.016565860896  6.092282807527  0.069968432344  -0.082305936216  -0.045911901037  -0.132649853533  -0.003866587014  -0.002609400292  0.000877269170
  28  Al  4.073862513853  4.077037913987  4.074304385761  -0.076340019044  -0.010727510891  -0.148980061670  0.001943184574  0.000673733753  0.001165937758
  29  Al  4.043964908216  6.046189316796  6.077808549830  -0.025313623270  0.116841933220  0.106039575776  -0.002724198878  -0.003154965697  -0.002868650937
  30  Al  6.042290549886  3.987604472137  6.063400304455  0.170361982898  -0.036259446595  0.039339655053  -0.006264316314  -0.000509296646  -0.001403019446
  31  Al  6.065093313251  6.062828809653  4.061772213293  -0.060995076148  0.124131862171  -0.287178151243  0.000635167629  -0.000727126050  -0.001882018763


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)
  -79.072150100079  0.102453376071  -0.777763227136
  0.102453376071  -81.169238142908  0.316909194737
  -0.777763227136  0.316909194737  -78.680859923905
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.075866746065  8.085509577947  8.065701997032  0.052409004374  0.125495359440  0.001965534354  0.001084878989  -0.003387850940  -0.006922163725
  1  Al  8.047541808733  2.010457919601  1.957614818862  0.089850145094  0.042442696521  0.095689427461  0.001023240504  0.002782780318  0.004835636839
  2  Al  2.023108092544  8.086784025567  2.046340897495  0.155724661184  -0.064991832379  -0.013048912214  -0.003581042879  0.003567260139  0.006742673816
  3  Al  2.021240586611  2.006391545680  0.030864579600  -0.114918487451  0.103486374744  -0.323294765600  0.002675295503  -0.001743752041  0.002355400300
  4  Al  0.001884437068  0.017658098937  4.070648423718  0.061335982554  -0.032634732971  -0.094141154408  -0.000111669799  0.003899212155  -0.000636551094
  5  Al  0.100830592967  2.034181069161  6.022750958542  -0.237565365444  0.030808437950  0.206219004958  0.006867334214  0.001710701701  -0.004059168519
  6  Al  1.962254295336  8.074793086214  6.085389085618  0.076223776375  -0.028809390886  -0.006379874073  -0.004543652567  0.003247792414  0.001057099021
  7  Al  2.021351258104  2.043598239312  4.097524645395  -0.068847992126  -0.040897901632  -0.100458183293  0.001462891330  0.000508476103  -0.000014979185
  8  Al  8.045921798248  4.081619172186  8.058599977792  0.121308850718  -0.286145432703  -0.139895091426  -0.003104835042  0.000072356273  0.002286350548
  9  Al  8.095823740330  6.028783748276  2.001801676395  -0.057098815075  0.223581985527  0.203940712325  -0.000984450111  0.003310307044  0.001794678534
  10  Al  2.046417915259  4.019096764265  2.002089053705  -0.006836958857  0.094972228561  0.122801542468  -0.000265752952  0.000824514258  -0.003520634236
  11  Al  2.092394402914  6.081858256929  8.069064326706  -0.042899630842  0.084201996226  0.099231309208  0.004198103046  -0.000851554428  -0.001643480923
  12  Al  0.001062278043  4.017684610653  4.176952218980  -0.017704243839  -0.049787689040  -0.209090895269  -0.001131609217  -0.002164082671  0.002650187378
  13  Al  8.061019020966  6.034754250894  5.979984231154  0.266096399924  0.059998225755  0.199961178504  -0.003931689450  -0.002277947934  -0.008666770838
  14  Al  1.997781677767  4.024379731431  6.085122170432  -0.046775592608  -0.007038385064  0.055802843358  -0.001233446621  -0.002073757950  0.000432850527
  15  Al  2.096985373317  6.119510900903  4.033671372529  -0.195753059464  -0.114568823834  0.164811818649  0.002564406489  0.003835563697  0.002599582862
  16  Al  4.053773753552  0.027643739410  8.086204858212  -0.042985375035  -0.130710545062  0.129674013962  0.003736853796  0.002228176444  -0.000155552363
  17  Al  4.045990502783  1.988102288295  2.046407822038  0.167549658847  -0.009629944672  -0.042979571137  -0.002405805133  -0.002230280557  0.002233200012
  18  Al  6.059378951249  0.024392393278  1.999440797780  -0.143133602572  -0.141816813802  0.127150125691  0.002713829017  -0.001311280065  -0.003001719554
  19  Al  6.065694062748  2.027236688998  8.083825892098  0.008101334842  0.002318168719  0.066151247032  -0.005134596601  -0.004684015082  0.001794326491
  20  Al  4.058928469897  0.019712681366  4.031732422939  0.054500165871  -0.193583473147  -0.176138082248  0.000067548195  0.003930966600  0.001873432415
  21  Al  4.063942606553  2.003602265219  6.098699751085  -0.087833416509  0.139136616025  0.077274953916  0.000809878714  0.003713229936  0.000490280103
  22  Al  6.074127327913  0.085090315545  6.097603742489  0.013586903044  -0.127681257343  -0.043496816692  0.004652596164  0.004571880086  0.002433682847
  23  Al  6.130759779788  1.961507258218  3.986035003539  -0.057558838036  0.213509912532  0.195460590853  -0.001279223543  -0.003767246439  -0.003120819979
  24  Al  4.013420271815  4.046491559498  0.029576574840  0.125653043072  -0.004445681222  -0.070262549603  0.002167104771  0.001701923052  0.003210617433
  25  Al  3.987159373998  6.114872740826  2.100737093055  0.154819508606  0.057277747135  -0.136508213960  -0.000052770617  -0.001175817528  0.000360284240
  26  Al  6.089734340939  4.092682683915  2.034356830691  -0.159459404264  -0.097561059653  0.030838740305  -0.000587738883  0.002041520895  -0.002183651415
  27  Al  6.014628888344  6.090976055136  0.070401137529  -0.082759456744  -0.045137269583  -0.133766972366  -0.003881343741  -0.002617540022  0.000853451697
  28  Al  4.074830693768  4.077374301347  4.074880695285  -0.084010045128  -0.011140794085  -0.150552081766  0.001928849393  0.000671778742  0.001139159800
  29  Al  4.042601677267  6.044617056740  6.076378964293  -0.019545644076  0.117734345610  0.111706394806  -0.002728209264  -0.003133994747  -0.002849184604
  30  Al  6.039166006848  3.987348203029  6.062700553200  0.177326760145  -0.035191376912  0.040503556366  -0.006233233191  -0.000515684298  -0.001395881521
  31  Al  6.065408170608  6.062470795278  4.060818367151  -0.058800266582  0.126808309246  -0.289169830158  0.000175109651  0.000955391594  -0.002835315898


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)
  -78.895055107491  0.127733745467  -0.801345931681
  0.127733745467  -81.049668787844  0.303180683989
  -0.801345931681  0.303180683989  -78.562782778607
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.076411528223  8.083821262074  8.062241003028  0.048207292937  0.127559587601  0.012454449570  0.001093874014  -0.003365228010  -0.006920874589
  1  Al  8.048057445254  2.011851206933  1.960036914564  0.089769858499  0.035862227105  0.094408585196  0.001039298403  0.002789780721  0.004852631464
  2  Al  2.021324531941  8.088564750525  2.049711651121  0.160896557518  -0.067714800987  -0.016246636370  -0.003552737170  0.003555396262  0.006740054815
  3  Al  2.022573097547  2.005524295464  0.032027828591  -0.112998000260  0.109121526645  -0.329006865783  0.002654919933  -0.001724745047  0.002297085004
  4  Al  0.001831343865  0.019606246254  4.070325940096  0.063765136597  -0.037449804818  -0.095629184466  -0.000100485848  0.003892946648  -0.000653516425
  5  Al  0.104253640987  2.035037797137  6.020730592198  -0.244898578510  0.026068724012  0.210824073158  0.006824202285  0.001715786478  -0.004021885168
  6  Al  1.959985876228  8.076415694651  6.085917349950  0.080952203240  -0.031209840511  -0.010959007695  -0.004529601147  0.003242426738  0.001055548938
  7  Al  2.022079626288  2.043850649242  4.097512665358  -0.071834781330  -0.039883785066  -0.100826988129  0.001450314391  0.000501254278  -0.000032973934
  8  Al  8.044374803189  4.081642559725  8.059736899806  0.119458369221  -0.286533236211  -0.144148457030  -0.003083310626  0.000021159213  0.002260957259
  9  Al  8.095328962978  6.030448895833  2.002708131738  -0.066525127712  0.226850813629  0.203295502251  -0.000995502002  0.003350575413  0.001831085159
  10  Al  2.046284733174  4.019513266619  2.000334225772  -0.000991908932  0.088830728346  0.126839571605  -0.000483087232  0.002469514365  0.000800283481
  11  Al  2.094491536839  6.081436243514  8.068247021849  -0.041949243458  0.087488741759  0.101445423892  0.004190517618  -0.000836205400  -0.001625540567
  12  Al  0.000495682062  4.016600343826  4.178267966381  -0.018487373523  -0.055766919076  -0.219426167443  -0.001134844721  -0.002173519177  0.002611878261
  13  Al  8.059065070654  6.033617958826  5.975659783927  0.269828706934  0.072477419298  0.210643741603  -0.003883778131  -0.002266104707  -0.008630063054
  14  Al  1.997162863605  4.023342537842  6.085341090062  -0.038670126029  -0.009095249329  0.058122514147  -0.001241085406  -0.002075200286  0.000443035372
  15  Al  2.098258826470  6.121423561566  4.034978530990  -0.202981899551  -0.112405475120  0.161836320545  0.002528759870  0.003815272358  0.002628784971
  16  Al  4.055640259019  0.028751984918  8.086132878412  -0.047832030880  -0.135059796103  0.130366388666  0.003728734785  0.002204416767  -0.000132304938
  17  Al  4.044795089626  1.986986717561  2.047522500872  0.171158625547  -0.000891615452  -0.049155467991  -0.002375524856  -0.002231221177  0.002224963205
  18  Al  6.060729467737  0.023730414085  1.997945621568  -0.139706875598  -0.145219130824  0.131461675336  0.002688543282  -0.001336940872  -0.002978599845
  19  Al  6.063127126575  2.024894785079  8.084726012281  0.009695625048  0.015177207014  0.069006381078  -0.005133005565  -0.004682451008  0.001806409486
  20  Al  4.058964680133  0.021669511555  4.032661265837  0.051883722828  -0.198086514324  -0.182244944665  0.000077058838  0.003895951585  0.001841393230
  21  Al  4.064343619789  2.005465099544  6.098948345299  -0.097315481438  0.139324348568  0.082834105171  0.000793326536  0.003738124146  0.000504593738
  22  Al  6.076454233325  0.087370548282  6.098818639621  0.011934918943  -0.138167440145  -0.045749106438  0.004654877796  0.004548113404  0.002425704326
  23  Al  6.130117595157  1.959633178815  3.984483330567  -0.052707590816  0.222314396544  0.196297343558  -0.001289081283  -0.003728284060  -0.003085797102
  24  Al  4.014509440846  4.047342322304  0.031178742846  0.127088070400  -0.008887788418  -0.070231276486  0.002189699644  0.001700731049  0.003198057386
  25  Al  3.987139909066  6.114287392356  2.100911133307  0.156006626370  0.059096734318  -0.144022143113  -0.000024982984  -0.001165413733  0.000335205028
  26  Al  6.089433343720  4.093699083418  2.033266383464  -0.165053051027  -0.097325507500  0.026805962101  -0.000616750063  0.002024098176  -0.002178498020
  27  Al  6.012684517155  6.089665267505  0.070821884042  -0.082803059377  -0.044220503020  -0.132159311384  -0.003896144911  -0.002625528543  0.000829678079
  28  Al  4.075791363246  4.077709692729  4.075443545561  -0.092792778810  -0.016325415659  -0.154363445775  0.001913043348  0.000669323282  0.001111900571
  29  Al  4.041236698952  6.043055322049  6.074959365227  -0.013342793026  0.118962264289  0.122449793724  -0.002731149466  -0.003112834240  -0.002828251209
  30  Al  6.036057316695  3.987088787838  6.062004422934  0.183629618733  -0.034985789164  0.048286145486  -0.006200963950  -0.000521958086  -0.001387943785
  31  Al  6.065493097083  6.062954159361  4.059387783415  -0.053384632542  0.130093892602  -0.293208974319  0.000165080402  0.000978358466  -0.002887380144


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)
  -78.715090999988  0.157210917155  -0.819853150288
  0.157210917155  -80.925718832898  0.288397001294
  -0.819853150288  0.288397001294  -78.443307048945
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.076960620078  8.082144349937  8.058781122442  0.043019468249  0.127965850422  0.020885594635  0.001102029620  -0.003342384220  -0.006917894013
  1  Al  8.048581107136  2.013247700323  1.962467450326  0.090913068474  0.028752696084  0.098961043717  0.001055451326  0.002795557249  0.004869918570
  2  Al  2.019555355374  8.090339421829  2.053080952310  0.165394062423  -0.070622465470  -0.016002010941  -0.003523567023  0.003543029010  0.006737171809
  3  Al  2.023895506544  2.004666800633  0.033161664604  -0.109372025321  0.113210169709  -0.334492780067  0.002635040213  -0.001704868754  0.002237768613
  4  Al  0.001783951219  0.021551045585  4.069994907293  0.067355340066  -0.043171375667  -0.094507338491  -0.000088763772  0.003885739172  -0.000670514494
  5  Al  0.107654795251  2.035896855639  6.018729073374  -0.252481064585  0.019891171188  0.210733524245  -0.001322851707  -0.001388537314  -0.000596307510
  6  Al  1.957724694189  8.078035512952  6.086444634556  0.085993672566  -0.033548416683  -0.019069710912  -0.004514676306  0.003236637396  0.001052864392
  7  Al  2.022801572495  2.044099493590  4.097491671461  -0.074428854322  -0.038466642315  -0.099303048936  0.001437238527  0.000494249806  -0.000050865416
  8  Al  8.042838487622  4.081640331398  8.060860935051  0.117005714558  -0.285533088563  -0.149756002019  -0.003062170907  -0.000029983105  0.002234682412
  9  Al  8.094828238327  6.032134323689  2.003632761553  -0.075326898066  0.231083437620  0.206421786868  -0.001008183471  0.003391514405  0.001867713589
  10  Al  2.046043145220  4.020751994502  2.000740037196  0.005820576658  0.080253562523  0.131098000929  -0.000482655552  0.002484630378  0.000823342915
  11  Al  2.096584920532  6.081022051529  8.067438786139  -0.040382954796  0.093128579246  0.101802107972  0.004183157179  -0.000820058341  -0.001607370384
  12  Al  8.099923681066  4.015511091477  4.179564097241  -0.018222711301  -0.061324229301  -0.228835903409  -0.001138126576  -0.002183987041  0.002571803955
  13  Al  8.057135242835  6.032488146187  5.971354168100  0.273056363990  0.087245155815  0.217141786513  -0.003835244596  -0.002251825624  -0.008591819336
  14  Al  1.996540592361  4.022304531145  6.085565205803  -0.028972137531  -0.010560149930  0.054168880529  -0.001247132576  -0.002076957464  0.000453074141
  15  Al  2.099514133187  6.123326173260  4.036300157500  -0.211055349689  -0.110395902293  0.161217248046  0.002491745238  0.003795354075  0.002657665727
  16  Al  4.057502488338  0.029848156177  8.086072553273  -0.051845335863  -0.139960482179  0.127925277559  0.003719823701  0.002179830152  -0.000109213849
  17  Al  4.043614977927  1.985871067117  2.048632785243  0.173512926807  0.008003208291  -0.052071678985  -0.002344711467  -0.002230585406  0.002215913571
  18  Al  6.062067494531  0.023055452406  1.996462197935  -0.135466399772  -0.148877344024  0.135690487525  0.002663942989  -0.001363232885  -0.002954716634
  19  Al  6.060561057183  2.022554237990  8.085632301584  0.009856980619  0.025421025696  0.069523114071  -0.005131257577  -0.004678821555  0.001818793923
  20  Al  4.059005528736  0.023608632951  4.033573816169  0.047679268587  -0.201628759453  -0.182915793676  0.000085959698  0.003860217327  0.001808748123
  21  Al  4.064735933090  2.007340389365  6.099204344823  -0.106399329126  0.138607192231  0.084251834470  0.000775114579  0.003762971026  0.000519531101
  22  Al  6.078782205709  0.089638428949  6.100029446815  0.009667098242  -0.149827064890  -0.051020882491  0.004656809001  0.004522366902  0.002417053158
  23  Al  6.129470698505  1.957778974158  3.982949206437  -0.048137545597  0.232098100686  0.200985405213  -0.001298096765  -0.003687659910  -0.003050280310
  24  Al  4.015609971459  4.048192290548  0.032774632227  0.128356697766  -0.012778709768  -0.071416936307  0.002212536223  0.001698794080  0.003185394138
  25  Al  3.987134391013  6.113707327092  2.101072298083  0.156472733261  0.060820577696  -0.149102315531  0.000002952446  -0.001154693212  0.000308999912
  26  Al  6.089117590877  4.094706782091  2.032178332671  -0.170458629810  -0.096467499440  0.027268353540  -0.000646744565  0.002006773221  -0.002173663816
  27  Al  6.010732743433  6.088350526593  0.071230815608  -0.083473584058  -0.040755110328  -0.132823931203  -0.003911009923  -0.002633125302  0.000805988768
  28  Al  4.076743737116  4.078043624630  4.075992595856  -0.102046302102  -0.022019036447  -0.154561693184  0.001895624875  0.000665895316  0.001084282886
  29  Al  4.039870527801  6.041504222499  6.073550713084  -0.006632834942  0.121130786482  0.129978396991  -0.002732935273  -0.003091370094  -0.002805684310
  30  Al  6.032965042898  3.986826244943  6.061312609415  0.188394125773  -0.034474507733  0.051317856440  -0.006167705295  -0.000528167787  -0.001379039259
  31  Al  6.065573251010  6.063449153744  4.057930987007  -0.047796141159  0.132799270797  -0.293490673111  0.000156034914  0.001001860926  -0.002939830670


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)
  -78.602515888776  0.172524503835  -0.824549442582
  0.172524503835  -80.811352219291  0.279079747002
  -0.824549442582  0.279079747002  -78.319797774979
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.077513557843  8.080478877854  8.055323109014  0.038163911475  0.128851408900  0.032070170616  0.001109287356  -0.003319424942  -0.006913159806
  1  Al  8.049112896581  2.014646764182  1.964906833134  0.090252492864  0.022420988132  0.098848937352  0.001071647397  0.002800132140  0.004887602640
  2  Al  2.017800964918  8.092107779535  2.056448822931  0.169035963146  -0.076235288628  -0.017928005166  0.008733996950  -0.001423938667  0.002095876860
  3  Al  2.025208137760  2.003819426710  0.034265597203  -0.108210814204  0.117992538326  -0.336228747569  0.002615588463  -0.001684199398  0.002177806591
  4  Al  0.001742580093  0.023491985426  4.069655425602  0.070842117995  -0.049348059120  -0.095490179645  0.001326653274  -0.003420036688  0.002295744922
  5  Al  0.106982083585  2.035203476110  6.018440339331  -0.249438519367  0.020666599513  0.207412954902  -0.001367722957  -0.001384911478  -0.000558925516
  6  Al  1.955471199922  8.079652332048  6.086970214342  0.088620098952  -0.036547843938  -0.024825209684  -0.004499065960  0.003230370841  0.001048940218
  7  Al  2.023516864816  2.044344899048  4.097461799943  -0.080290526287  -0.036319462750  -0.097601924067  0.001423406726  0.000487563982  -0.000068468578
  8  Al  8.041312632282  4.081612576619  8.061971582218  0.114152913371  -0.285551705081  -0.152360456899  -0.003041505492  -0.000081037675  0.002207673418
  9  Al  8.094320779507  6.033840410238  2.004575845327  -0.078680695655  0.234476845925  0.206570592516  -0.001021951639  0.003433135159  0.001904634811
  10  Al  2.045802077621  4.021997896997  2.001157568686  0.012374512254  0.073278005382  0.133256188610  -0.000481028925  0.002498355990  0.000846975989
  11  Al  2.098674694018  6.080616185173  8.066639651465  -0.041867278892  0.098144581501  0.106943597433  0.004175804067  -0.000802958658  -0.001588708668
  12  Al  8.099353803229  4.014416356785  4.180839770336  -0.017488048392  -0.068738654216  -0.238458924663  -0.001141319093  -0.002195614569  0.002530028133
  13  Al  8.055229826058  6.031366133202  5.967067964592  0.276173143754  0.101399842792  0.226530070890  -0.003786143873  -0.002234960897  -0.008552155391
  14  Al  1.995915731029  4.021265580378  6.085794164203  -0.023218686425  -0.012971909636  0.052559717137  -0.001251798398  -0.002079061213  0.000462615601
  15  Al  2.100750571708  6.125218915641  4.037636196717  -0.218351723861  -0.108491333336  0.156288922274  0.002453356555  0.003775785713  0.002686050550
  16  Al  4.059360082720  0.030931815070  8.086023664563  -0.055432206883  -0.143742499279  0.129435635833  0.003710233166  0.002154467310  -0.000086205969
  17  Al  4.042450378159  1.984756132155  2.049738414444  0.176698341104  0.018924733273  -0.057055616249  -0.002313402832  -0.002228178067  0.002206157670
  18  Al  6.063393410726  0.022367181200  1.994990904934  -0.132494608715  -0.150438540923  0.137985580381  0.002639987468  -0.001389991510  -0.002930250190
  19  Al  6.057995868998  2.020215963523  8.086544806204  0.011405697502  0.037125359508  0.072195390762  -0.005129356708  -0.004673229953  0.001831463456
  20  Al  4.059050639831  0.025529728882  4.034470013960  0.043571274763  -0.207044323230  -0.187397380117  0.000094117431  0.003823682248  0.001775642392
  21  Al  4.065118734367  2.009228070570  6.099467876400  -0.112099890831  0.138162637613  0.088092916790  0.000755580906  0.003787714050  0.000534938597
  22  Al  6.081111042325  0.091892915185  6.101235692779  0.007317901982  -0.159140119599  -0.054129227985  0.004658327448  0.004494745458  0.002407652814
  23  Al  6.128819498392  1.955945518905  3.981433050257  -0.044618568908  0.242284486214  0.203104256475  -0.001306389095  -0.003645250448  -0.003014154985
  24  Al  4.016721977069  4.049041116384  0.034364136984  0.130442502735  -0.018747591397  -0.068343358026  0.002235672685  0.001695975651  0.003172899668
  25  Al  3.987142861511  6.113132699144  2.101220133219  0.156456065780  0.062871298690  -0.155387581306  0.005859466851  0.001398755530  0.001131228573
  26  Al  6.088786599155  4.095705856639  2.031092719648  -0.177375719140  -0.099184927562  0.024544303286  -0.000677840706  0.001989282035  -0.002169031801
  27  Al  6.008773507232  6.087032142203  0.071627872810  -0.083247731698  -0.038507865977  -0.131673523371  -0.003925914689  -0.002640211355  0.000782342886
  28  Al  4.077686988121  4.078375588045  4.076527828448  -0.111197943488  -0.027212563260  -0.158518203492  0.001876560992  0.000661494046  0.001056293769
  29  Al  4.038503763679  6.039963951955  6.072153680916  -0.001118411549  0.122126844044  0.136850260868  -0.002733628229  -0.003069623037  -0.002781830020
  30  Al  6.029889611400  3.986560620051  6.060625383675  0.193765456530  -0.035596906902  0.057543336284  -0.006133540503  -0.000534432121  -0.001369307147
  31  Al  6.065649131997  6.063956020287  4.056447952745  -0.044141019913  0.135093425021  -0.294834494171  0.000147815798  0.001025810340  -0.002992426517


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)
  -78.489845161136  0.195963837220  -0.802547743354
  0.195963837220  -80.684911884446  0.257983951692
  -0.802547743354  0.257983951692  -78.207506733985
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.078069907435  8.078824924995  8.051867962637  0.033784501240  0.128735262954  0.039107546985  -0.003547869127  0.001583902121  0.006316321221
  1  Al  8.049652754533  2.016047832462  1.967355052966  0.092104335850  0.015106994283  0.098610302235  0.001087949966  0.002803487114  0.004905255354
  2  Al  2.022175519239  8.091392402511  2.057495959985  0.160500245238  -0.074234350087  -0.014901232915  0.008763457250  -0.001437390545  0.002092941950
  3  Al  2.026511095007  2.002982601235  0.035339471195  -0.104664159297  0.118766081420  -0.340366301113  0.002596557594  -0.001663033348  0.002117319481
  4  Al  0.002409073347  0.021779761242  4.070799029686  0.072076448898  -0.048723444262  -0.099153744401  0.001339430091  -0.003428804210  0.002278343895
  5  Al  0.106287072295  2.034511944161  6.018170147858  -0.247374750860  0.020141959502  0.205170572662  -0.001412137705  -0.001381263222  -0.000522040845
  6  Al  1.953225628229  8.081265883793  6.087493574773  0.093763980747  -0.039927239401  -0.028107471169  -0.004482760955  0.003223534024  0.001044208074
  7  Al  2.024224979221  2.044587057572  4.097423202883  -0.083760679096  -0.035520920689  -0.094520030243  0.001408740666  0.000481141503  -0.000085644143
  8  Al  8.039796982130  4.081559293724  8.063068608469  0.112889403139  -0.283852381212  -0.159688811968  -0.003021208073  -0.000131941990  0.002179776438
  9  Al  8.093806286688  6.035567458848  2.005537396364  -0.082096589333  0.236063006629  0.208858895731  -0.001036325013  0.003475201084  0.001941773908
  10  Al  2.045562116295  4.023250350493  2.001587013185  0.020698981178  0.068704266493  0.136620426561  -0.000478072178  0.002511049103  0.000871102764
  11  Al  2.100760724599  6.080219092871  8.065850077471  -0.044029138075  0.103623160827  0.109870989986  0.004168124989  -0.000784920767  -0.001569325600
  12  Al  8.098782361973  4.013315476908  4.182094125375  -0.016422074865  -0.070919199379  -0.243275133004  -0.001144350633  -0.002208099881  0.002486961455
  13  Al  8.053349098961  6.030253185290  5.962802012709  0.280922560791  0.111531477008  0.235990535253  -0.003736339918  -0.002215924990  -0.008510806382
  14  Al  1.995288793963  4.020225469932  6.086027821404  -0.024183323481  -0.014375777851  0.049291530761  -0.001256036104  -0.002081506077  0.000471721029
  15  Al  2.101967489742  6.127101958974  4.038986208051  -0.224605118583  -0.108692899688  0.151478130290  0.002413756532  0.003756369599  0.002713564703
  16  Al  4.061212721503  0.032002623487  8.085986347305  -0.058295735467  -0.142983262211  0.128719194496  -0.004645271003  -0.002588640310  0.001512556105
  17  Al  4.041301575095  1.983642889050  2.050838942913  0.181481230624  0.026428787478  -0.061699254529  -0.002281381836  -0.002224123495  0.002195541070
  18  Al  6.064707481999  0.021665460897  1.993531947745  -0.132779324367  -0.152918449142  0.139776542904  0.002616272169  -0.001417111406  -0.002905418456
  19  Al  6.055431700474  2.017881008037  8.087463765040  0.011274698930  0.044732097862  0.071508577251  -0.005127329097  -0.004665911956  0.001844310487
  20  Al  4.059099646167  0.027432315199  4.035349458561  0.041708376917  -0.212056241513  -0.189947540213  0.000101741371  0.003786214959  0.001741908028
  21  Al  4.065491513995  2.011128103415  6.099739283420  -0.117197768991  0.132298838737  0.094094477760  0.000735081860  0.003811893111  0.000551226019
  22  Al  6.083440533157  0.094133174408  6.102437099629  0.005586347157  -0.168622533849  -0.056825087120  0.004659481078  0.004465443713  0.002397733578
  23  Al  6.128164309410  1.954133723711  3.979935051452  -0.041005816213  0.249494594697  0.206382218173  -0.001314043854  -0.003601285752  -0.002977547189
  24  Al  4.017845644144  4.049888266199  0.035947531895  0.133365174130  -0.023679800327  -0.066324761136  0.002259256902  0.001692182673  0.003160860435
  25  Al  3.990079588467  6.113834887234  2.101778801736  0.151047455575  0.059762504584  -0.159165778882  0.005886957445  0.001409718904  0.001103107729
  26  Al  6.088439750171  4.096696064126  2.030009300869  -0.183764408065  -0.099637805509  0.026108832136  -0.000710126373  0.001971507426  -0.002164503447
  27  Al  6.006806828744  6.085710315238  0.072013158493  -0.080341899382  -0.035733323343  -0.133702310314  -0.003940539484  -0.002646848464  0.000758618477
  28  Al  4.078620298109  4.078705118676  4.077048889625  -0.117279628716  -0.030936253303  -0.164820088903  0.002411216436  0.000386244885  -0.001512440367
  29  Al  4.037136899572  6.038434599462  6.070768883064  0.006429041890  0.125510451993  0.142248237872  -0.002733153463  -0.003047484441  -0.002756878815
  30  Al  6.026831502395  3.986291812822  6.059943302268  0.199067601030  -0.033226461902  0.062827634931  -0.006098421511  -0.000540584881  -0.001358546069
  31  Al  6.065721066808  6.064474964085  4.054938560491  -0.038899968543  0.135140859200  -0.294167100076  0.000140391993  0.001049969091  -0.003045082835


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)
  -78.329513711984  0.231833442049  -0.781939429718
  0.231833442049  -80.567503364758  0.249230959151
  -0.781939429718  0.249230959151  -78.163763711773
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.076297483026  8.079622630475  8.055027871340  0.039808140973  0.124919342082  0.029007922235  -0.003541289998  0.001606578661  0.006322410695
  1  Al  8.050200846547  2.017450251297  1.969812088488  0.093846444052  0.008813411488  0.101172624837  0.001104573832  0.002805625581  0.004923115804
  2  Al  2.026564422167  8.090670388990  2.058541764880  0.153261329211  -0.072008177620  -0.011065325283  0.008791507309  -0.001450464522  0.002090620558
  3  Al  2.027804695354  2.002156393362  0.036382916684  -0.102519304706  0.118960413796  -0.346211858020  0.002578035541  -0.001641780770  0.002055939887
  4  Al  0.003082010184  0.020063181216  4.071933769497  0.072903571199  -0.044838587334  -0.104216757363  0.001352391200  -0.003437168588  0.002260162719
  5  Al  0.105569945880  2.033822212888  6.017918298486  -0.243316516207  0.022683944876  0.201631900997  -0.001456005152  -0.001377434617  -0.000485672997
  6  Al  1.950988438967  8.082875866072  6.088014422416  0.097245300925  -0.042889540348  -0.027440937751  -0.004465684863  0.003216130263  0.001039242086
  7  Al  2.024925605482  2.044826040551  4.097376155800  -0.089669772270  -0.035057183116  -0.090579694426  0.001393236109  0.000474831872  -0.000102191925
  8  Al  8.038291424209  4.081480634629  8.064151358655  0.111567324562  -0.284413926203  -0.169726646135  -0.003001141803  -0.000182744589  0.002150326933
  9  Al  8.093284454494  6.037315611321  2.006517619235  -0.084827355076  0.237184639409  0.214245103143  -0.001051247893  0.003517509083  0.001979599101
  10  Al  2.045324005443  4.024508946100  2.002028671451  0.024275559588  0.062889318161  0.142829295089  -0.000474051487  0.002522813475  0.000896085368
  11  Al  2.102842819007  6.079831264406  8.065070325865  -0.047255037739  0.109301558179  0.110352933700  0.004159964249  -0.000765885450  -0.001549637740
  12  Al  8.098209452596  4.012208256904  4.183326731791  -0.013853018015  -0.073460518403  -0.246353443536  -0.001147057205  -0.002221007324  0.002443189013
  13  Al  8.051493486140  6.029150208212  5.958557158210  0.286777765781  0.118606793778  0.247264969906  0.002308309553  -0.001283827777  -0.001755416416
  14  Al  1.994659694925  4.019184074301  6.086265885233  -0.024530416230  -0.016538928812  0.046531219553  -0.001260391077  -0.002084269830  0.000480287514
  15  Al  2.103164328240  6.128975285240  4.040349761420  -0.229347778815  -0.108316362909  0.147318006157  0.002373173470  0.003736969127  0.002740276863
  16  Al  4.058887480203  0.030701912031  8.086748379059  -0.050363346602  -0.134847776642  0.126301219198  -0.002735193783  -0.001561194187  0.000716118254
  17  Al  4.040168996323  1.982532008660  2.051933955513  0.187286208529  0.030972077948  -0.064910074624  -0.002248414292  -0.002218991899  0.002184222287
  18  Al  6.066009682895  0.020950069794  1.992085486478  -0.136753938409  -0.154176579413  0.144996814720  0.002592176089  -0.001444565481  -0.002879959923
  19  Al  6.052868539901  2.015550051568  8.088389116691  0.007995163299  0.052604977968  0.070171917299  -0.005125606386  -0.004657210091  0.001856976621
  20  Al  4.059152381201  0.029315943841  4.036211921988  0.039065226834  -0.219769664127  -0.192286994655  0.000108962473  0.003747610034  0.001707736535
  21  Al  4.065853816227  2.013039963681  6.100019102419  -0.122441119100  0.128188706635  0.100845402858  0.000713658316  0.003835180510  0.000568653504
  22  Al  6.085770523404  0.096358358898  6.103633426357  0.000401409786  -0.177688354683  -0.057950379437  0.004660016379  0.004434483769  0.002387472734
  23  Al  6.127505454538  1.952344233153  3.978455503069  -0.038883102881  0.258819435879  0.209850451776  -0.001321185865  -0.003555842843  -0.002940336288
  24  Al  4.018981233970  4.050733299057  0.037524997420  0.135824893428  -0.028345271487  -0.072880216072  0.002283322300  0.001687531669  0.003148415611
  25  Al  3.993029818956  6.114542418048  2.102323240948  0.146568577827  0.061419766346  -0.158384703885  0.005913564104  0.001420552512  0.001074718944
  26  Al  6.088076472782  4.097677364065  2.028928216201  -0.189616860793  -0.101819382650  0.032115131072  -0.002353334604  0.001263258020  -0.002166060963
  27  Al  6.004832967747  6.084385293740  0.072386491287  -0.080896813052  -0.033530081186  -0.137387130076  -0.003954954109  -0.002653040562  0.000734383276
  28  Al  4.079820663970  4.078896858279  4.076285302043  -0.118096560587  -0.035012876872  -0.165336363217  -0.001341957545  -0.004218042122  0.002535935655
  29  Al  4.035770610216  6.036916467513  6.069396802101  0.014150401195  0.125287033354  0.146887779566  -0.002731313675  -0.003025063326  -0.002731030264
  30  Al  6.023791189889  3.986020035171  6.059266837606  0.199851399110  -0.030901383247  0.066010483518  -0.006062758439  -0.000546317864  -0.001347028034
  31  Al  6.065789523990  6.065005989378  4.053402869909  -0.038457775817  0.132963175152  -0.292802651143  0.000133476266  0.001073937399  -0.003097557509


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)
  -78.198222343153  0.260936889245  -0.784101388692
  0.260936889245  -80.441198838350  0.242699798375
  -0.784101388692  0.242699798375  -78.173856081826
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.074528617437  8.080431503655  8.058190373332  0.043947875052  0.121221110935  0.026770987530  -0.003533802270  0.001628583440  0.006327397290
  1  Al  8.050757328366  2.018853458044  1.972278168769  0.092878195938  0.000573907601  0.102468541387  0.001121266881  0.002806464801  0.004941321177
  2  Al  2.030967026548  8.089941937989  2.059586580543  0.142870371449  -0.071628578107  -0.009092758479  0.008817981269  -0.001463305544  0.002088818440
  3  Al  2.029089130548  2.001340820465  0.037395411082  -0.101678306328  0.120352482395  -0.348095059715  0.002559780422  -0.001620386369  0.001993869348
  4  Al  0.003761464547  0.018342592654  4.073059192405  0.073617498034  -0.041029933852  -0.115950733080  0.001365490078  -0.003444845172  0.002240479903
  5  Al  0.104831067143  2.033134509543  6.017684474861  -0.239206148702  0.025357536047  0.201818542057  -0.001499142331  -0.001373139743  -0.000449604818
  6  Al  1.948759943366  8.084482014056  6.088532816859  0.102126853359  -0.045663767079  -0.024852221442  -0.004447861136  0.003208213661  0.001034567115
  7  Al  2.025618215330  2.045061889444  4.097321010957  -0.095093877304  -0.034841978512  -0.089534722834  0.001376718371  0.000468582937  -0.000118294024
  8  Al  8.036795840327  4.081376549134  8.065218935401  0.109937571114  -0.282508899325  -0.173272805484  -0.002981339424  -0.000233427082  0.002119663029
  9  Al  8.092755038795  6.039084967931  2.007516995465  -0.087970561401  0.238686744423  0.213899503698  -0.001066695903  0.003560051642  0.002017874921
  10  Al  2.045088064809  4.025773163967  2.002483098553  0.027643035769  0.059734467168  0.145757638867  -0.000751707345  0.002425232963  -0.004614034758
  11  Al  2.104920688848  6.079453207421  8.064300439731  -0.051211261071  0.112219440203  0.115020699986  0.004151161433  -0.000746081633  -0.001529489499
  12  Al  8.097635304768  4.011094469584  4.184537314388  -0.010214258529  -0.074013851326  -0.250944487271  -0.001149208802  -0.002234191426  0.002398730936
  13  Al  8.052660459779  6.028513596005  5.957690502657  0.284872925313  0.121539433419  0.250658688591  0.002359414714  -0.001262358877  -0.001710902400
  14  Al  1.994028402886  4.018141200102  6.086508108919  -0.024045176447  -0.017857266447  0.046811335827  -0.001264733700  -0.002087344825  0.000488632272
  15  Al  2.104340663211  6.130838928101  4.041726484914  -0.233805433866  -0.108795550385  0.139399924661  0.002331767906  0.003717559479  0.002765909240
  16  Al  4.057517632088  0.029915287291  8.087112083805  -0.043899122844  -0.132294175208  0.130425868411  -0.002743620780  -0.001585076485  0.000739069471
  17  Al  4.039053160803  1.981423897151  2.053023165200  0.193369614435  0.035555988842  -0.069661289477  0.002612245295  -0.003357561334  -0.000033781916
  18  Al  6.067299658088  0.020220895416  1.990651987821  -0.136668400819  -0.154254628561  0.146122837503  0.002567732329  -0.001472139009  -0.002853934036
  19  Al  6.050306094089  2.013223797946  8.089320741661  0.008341295839  0.059511878988  0.074665482043  -0.005124145918  -0.004647186925  0.001869924980
  20  Al  4.059208608639  0.031179925233  4.037057195096  0.035330779839  -0.225464354745  -0.197272283863  0.000115613422  0.003707806433  0.001672910216
  21  Al  4.066205172311  2.014963283925  6.100307936925  -0.127769461743  0.124617658275  0.106902090387  0.000691289670  0.003857781217  0.000587225981
  22  Al  6.088100549536  0.098567658177  6.104824572363  -0.003514602188  -0.185769758564  -0.054706663450  0.004627574466  0.003270339012  0.005102377891
  23  Al  6.126843123545  1.950577880867  3.976994715164  -0.035993041099  0.266882463033  0.208166754677  -0.001327879739  -0.003508845472  -0.002902965850
  24  Al  4.020128966444  4.051575797868  0.039095947506  0.137085781524  -0.029658109454  -0.075734077653  -0.001791057180  0.002177037140  0.003283568410
  25  Al  3.995993152570  6.115255439745  2.102853520681  0.141709980208  0.060652999212  -0.161481918182  0.005939335999  0.001431465729  0.001046123098
  26  Al  6.086891329674  4.098304441785  2.027846621254  -0.191968687492  -0.102769243057  0.033928617314  0.005160817683  -0.002748938852  0.004225571174
  27  Al  6.002851874634  6.083057274676  0.072747541770  -0.079845586566  -0.031905041896  -0.134879456880  -0.003969324364  -0.002658890415  0.000710042839
  28  Al  4.079144406323  4.076786272155  4.077545879395  -0.116358258049  -0.032761854085  -0.174418099721  -0.001362917637  -0.004224101134  0.002505561851
  29  Al  4.034405585897  6.035409536136  6.068037852800  0.019854959972  0.123060665328  0.155846511539  -0.002728273620  -0.003002861221  -0.002703966036
  30  Al  6.020768743955  3.985745494958  6.058596274234  0.200838787159  -0.028376018812  0.074423379951  -0.006026937025  -0.000551617221  -0.001334473347
  31  Al  6.065854543074  6.065548901483  4.051841002982  -0.035183340556  0.129626233546  -0.293190826899  0.000126892804  0.001097412703  -0.003149944904


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)
  -78.036485811636  0.287037483424  -0.790559168813
  0.287037483424  -80.307388009147  0.269078654562
  -0.790559168813  0.269078654562  -78.184327235500
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.072763680756  8.081251213915  8.061355268630  0.050135577154  0.117550807822  0.021186241304  -0.003525391277  0.001649929478  0.006331684631
  1  Al  8.051322113428  2.020256716097  1.974753409665  0.089030682795  -0.009468986683  0.107728512399  0.001137529404  0.002805669587  0.004960112643
  2  Al  2.035382403437  8.089207083446  2.060630583320  0.133380464817  -0.070804534957  -0.008545926763  0.008842677895  -0.001476038962  0.002087241554
  3  Al  2.030364475776  2.000536006993  0.038376786032  -0.100138268067  0.119129015624  -0.355428378624  0.002541738165  -0.001598976896  0.001930974859
  4  Al  0.004447500262  0.016618336044  4.074174249401  0.071497252792  -0.036439356073  -0.124836394516  0.001378463233  -0.003451770871  0.002218953707
  5  Al  0.104070803549  2.032449073144  6.017468693668  -0.234154697019  0.029408806939  0.196954169405  -0.003465120450  0.000928268833  -0.002595878118
  6  Al  1.946540577832  8.086084079733  6.089048989532  0.108459815893  -0.050321034682  -0.023929368103  -0.004429034839  0.003199632689  0.001030206076
  7  Al  2.026302323853  2.045294623488  4.097257861775  -0.100847824522  -0.031946027825  -0.083307428688  0.001359201324  0.000462612137  -0.000133745988
  8  Al  8.035310084785  4.081247207547  8.066271021684  0.111799861394  -0.280186406785  -0.181183910206  -0.002961516257  -0.000283731637  0.002087974853
  9  Al  8.092217758591  6.040875662963  2.008535494156  -0.089253748342  0.239942423966  0.216940585130  -0.001082539628  0.003602840745  0.002056391715
  10  Al  2.044713446770  4.026988450558  2.000182596488  0.027763334114  0.057672472476  0.158226157706  -0.000746754055  0.002435729059  -0.004586858825
  11  Al  2.106993980440  6.079085182773  8.063540836365  -0.055809570505  0.116913314030  0.112155087833  0.004141593848  -0.000725597329  -0.001509180147
  12  Al  8.097060243794  4.009974065478  4.185725462727  -0.007178465144  -0.075681713632  -0.250191818422  -0.001150763699  -0.002247574102  0.002353929711
  13  Al  8.053852900853  6.027887849335  5.956846255810  0.288354939965  0.123106819127  0.252520473248  0.002410660872  -0.001240487678  -0.001665918545
  14  Al  1.993394961225  4.017096729476  6.086754517504  -0.023515276164  -0.016018944501  0.043539262820  -0.005104667595  -0.004617561046  0.003857460946
  15  Al  2.105496096145  6.132692844718  4.043115670660  -0.239301492638  -0.113118230089  0.139846828939  0.002289472487  0.003697720546  0.002790873699
  16  Al  4.056143859423  0.029116835546  8.087487448530  -0.038630530360  -0.129095971972  0.127976040528  -0.002750998871  -0.001608444576  0.000762170416
  17  Al  4.040367927003  1.979746705824  2.053003160407  0.196899644483  0.039223727025  -0.067711097840  0.002647135086  -0.003350876081  -0.000046062908
  18  Al  6.068577415224  0.019477930785  1.989231552442  -0.136047533779  -0.150558991191  0.154480458135  0.002543351721  -0.001499389127  -0.002827060317
  19  Al  6.047744393983  2.010902864643  8.090259041671  0.007672980526  0.064395408914  0.076720804596  -0.005122714253  -0.004636109702  0.001883458806
  20  Al  4.059267994624  0.033023750274  4.037884832204  0.038384968766  -0.228809917515  -0.196768036564  0.000122203557  0.003667194640  0.001637683295
  21  Al  4.066545105897  2.016897744898  6.100606328400  -0.131683927199  0.118294361997  0.108918961112  0.000668094724  0.003879497377  0.000606520227
  22  Al  6.090414179668  0.100194523841  6.107373315940  -0.011547478424  -0.191254204571  -0.059107671770  0.000083349763  0.001445163004  0.000217829769
  23  Al  6.126177574799  1.948835387682  3.975552537218  -0.033265070703  0.270604924338  0.209701226896  -0.001334071364  -0.003460794486  -0.002865608753
  24  Al  4.019239565540  4.052662990731  0.040734346425  0.143840384445  -0.032416940605  -0.085108166413  -0.001765942583  0.002171487675  0.003269189229
  25  Al  3.998969154955  6.115973883777  2.103369364046  0.137849130975  0.061337856069  -0.161459309323  0.005964328383  0.001442371624  0.001017252385
  26  Al  6.089463157584  4.096925378611  2.029960923438  -0.202770008164  -0.101482880014  0.033664032045  0.005125528327  -0.002767198845  0.004231613908
  27  Al  6.000863643383  6.081726403325  0.073096534126  -0.078975884698  -0.029485103595  -0.134432936348  -0.003983522889  -0.002664378650  0.000685966505
  28  Al  4.078457746332  4.074672757145  4.078790863894  -0.114188658003  -0.032717930214  -0.177105608677  -0.001383528366  -0.004229954980  0.002474135884
  29  Al  4.033042336596  6.033913606293  6.066692836065  0.021295680611  0.122482688270  0.162051740627  -0.002724594783  -0.002980909822  -0.002675546161
  30  Al  6.017764252864  3.985468417950  6.057932364259  0.202347621532  -0.028241817851  0.075950138002  -0.005990892450  -0.000556678815  -0.001321030063
  31  Al  6.065916416793  6.066103402081  4.050252925006  -0.031403906533  0.127986366160  -0.289444668469  0.000120939952  0.001120443084  -0.003202032098


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)
  -77.859693876631  0.320548239319  -0.805050644318
  0.320548239319  -80.176315786070  0.273682188399
  -0.805050644318  0.273682188399  -78.198798263529
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.071003226159  8.082081433133  8.064522057963  0.056492387995  0.114205907091  0.018359119071  -0.003515858814  0.001670648361  0.006335219958
  1  Al  8.051894857770  2.021659127631  1.977238281412  0.085831714027  -0.015840890414  0.109101888333  0.001153161976  0.002803406902  0.004979497124
  2  Al  2.039809704443  8.088465899027  2.061673822097  0.125989668106  -0.069410074933  -0.012275492390  0.008865865399  -0.001488574047  0.002085380134
  3  Al  2.031630868714  1.999741843569  0.039326385941  -0.099171140596  0.119900831285  -0.357960262127  0.002245940430  -0.002453124284  0.001796361491
  4  Al  0.005139927780  0.014890821783  4.075278146112  0.067419656399  -0.030775362821  -0.138084505064  0.001390882304  -0.003457779818  0.002195448768
  5  Al  0.102327776693  2.032914522124  6.016179558390  -0.228681809661  0.028450565206  0.199020533629  -0.003506497701  0.000933441419  -0.002560478265
  6  Al  1.944330908527  8.087681646745  6.089563022936  0.116384175458  -0.052854204081  -0.018857913632  -0.004408933948  0.003190408897  0.001026380924
  7  Al  2.026977416654  2.045524501581  4.097187264969  -0.107764817369  -0.031707956258  -0.082472905824  0.001340551504  0.000456921517  -0.000148566631
  8  Al  8.033834324070  4.081092817497  8.067306910255  0.114657675275  -0.277821896946  -0.182084782519  -0.002941271117  -0.000333617178  0.002055498894
  9  Al  8.091672499166  6.042687808676  2.009573387180  -0.091058039371  0.236785383031  0.216016318028  -0.001098659373  0.003645459868  0.002095097750
  10  Al  2.044341310753  4.028208893026  1.997896239727  0.024365849570  0.056011908001  0.162711763830  0.002165994582  -0.002077990017  -0.002012715244
  11  Al  2.109062282696  6.078727610092  8.062791259584  -0.059937736113  0.118270482387  0.114479078464  -0.001691976577  0.001550097753  -0.000979073958
  12  Al  8.096484541069  4.008846895482  4.186891244098  -0.007008930170  -0.075522370111  -0.256587412604  -0.001152032042  -0.002261091638  0.002308624012
  13  Al  8.055071120652  6.027273108327  5.956024584112  0.289779674582  0.122038241353  0.257392091187  0.002462345691  -0.001218571886  -0.001620332728
  14  Al  1.990841576303  4.014787232913  6.088685194167  -0.019213012576  -0.010263921959  0.046175682859  -0.005108487473  -0.004619910715  0.003865481398
  15  Al  2.106630135698  6.134536648647  4.044517358612  -0.244845035865  -0.116484074755  0.134117454278  0.002246190136  0.003677194265  0.002815365908
  16  Al  4.054766633217  0.028306842715  8.087874254221  -0.036505196340  -0.125626909928  0.128861651128  -0.002757715951  -0.001631216618  0.000785131521
  17  Al  4.041700295889  1.978073021069  2.052977102291  0.197800940398  0.039335153204  -0.070764276372  0.002682421034  -0.003343852974  -0.000058442507
  18  Al  6.069843009809  0.018721506289  1.987824927504  -0.136119034676  -0.146779621558  0.161779766966  0.002519020225  -0.001525970985  -0.002798786881
  19  Al  6.045183379836  2.008587688244  8.091204200467  0.007875826876  0.070391411840  0.080546881362  -0.005121324201  -0.004624059858  0.001897518424
  20  Al  4.059330812196  0.034847119873  4.038694878391  0.041547779654  -0.232393568603  -0.201134629653  0.000129349487  0.003625963380  0.001602111083
  21  Al  4.066873267035  2.018842781301  6.100914457152  -0.137211756543  0.109606418877  0.116038347316  0.003242037192  0.001954243380  -0.002581424435
  22  Al  6.090455338382  0.100908556349  6.107479588733  -0.015079284407  -0.194667256714  -0.054761426313  0.000080969350  0.001410661903  0.000207649953
  23  Al  6.125509052181  1.947117086381  3.974129106411  -0.028611926825  0.272105680970  0.206324483206  -0.001339603123  -0.003412276549  -0.002828416354
  24  Al  4.018363023862  4.053747285543  0.042365136735  0.146641873963  -0.033861698053  -0.091116614647  0.002684189816  0.001085905902  -0.001848883074
  25  Al  4.001957480953  6.116697811369  2.103870773066  0.133012955897  0.062363477470  -0.165297604830  0.002578645373  -0.002748556280  -0.002667429988
  26  Al  6.092016858002  4.095537242940  2.032078235162  -0.208093972588  -0.098648591951  0.029684434834  0.005088797383  -0.002785090455  0.004237277215
  27  Al  5.998868351745  6.080392896026  0.073433508275  -0.078165230510  -0.029981638080  -0.129779810589  -0.003997571192  -0.002669694934  0.000662346076
  28  Al  4.077760877958  4.072556317175  4.080020015279  -0.111407025307  -0.030669214396  -0.184669996709  -0.003100495290  -0.003167870791  -0.001052626248
  29  Al  4.031680991114  6.032428626314  6.065362306639  0.022136725579  0.123413693070  0.173279419122  -0.002720711957  -0.002958926862  -0.002645567796
  30  Al  6.014777851505  3.985188816143  6.057275244171  0.206093028966  -0.026892957212  0.082347057589  -0.005954378150  -0.000561607824  -0.001306878408
  31  Al  6.065975483026  6.066669344567  4.048638970884  -0.027155983827  0.127323054986  -0.290388337931  0.000115704740  0.001143267562  -0.003253868751


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)
  -77.685180906970  0.340104993031  -0.811850876589
  0.340104993031  -80.051352778035  0.260040181710
  -0.811850876589  0.260040181710  -78.259815892739
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.069247821941  8.082921862277  8.067690488588  0.061519765880  0.108660613481  0.011784638737  -0.003505308612  0.001690572468  0.006337914788
  1  Al  8.052475275404  2.023060123000  1.979732906789  0.081619879850  -0.024578137038  0.113962241757  0.001168132028  0.002799793470  0.004999438897
  2  Al  2.044248268835  8.087718509398  2.062715963454  0.120640338311  -0.069796370041  -0.011018753219  0.008887913944  -0.001501019003  0.002083297645
  3  Al  2.032749406015  1.998520640952  0.040208565992  -0.096498697357  0.118861413091  -0.364179489433  0.002228447687  -0.002431779111  0.001731802717
  4  Al  0.005838382567  0.013160556226  4.076369698169  0.064240704648  -0.026228899618  -0.144055870561  0.001402652646  -0.003462875959  0.002170225622
  5  Al  0.100564305848  2.033382514563  6.014908215403  -0.225450263064  0.027957704782  0.198300832473  -0.003547096781  0.000938484278  -0.002524958021
  6  Al  1.942131643884  8.089274488630  6.090075370456  0.122288578043  -0.056070001782  -0.019939700298  -0.004387596775  0.003180671151  0.001022912446
  7  Al  2.027642875358  2.045751545005  4.097109295144  -0.110855445996  -0.033416048494  -0.077924615768  0.001321007010  0.000451099478  -0.000162906054
  8  Al  8.032368813668  4.080913590369  8.068326520577  0.113162019491  -0.274106281462  -0.190236807836  -0.003274762137  0.003415500374  0.001750184313
  9  Al  8.091119099219  6.044521122831  2.010630591907  -0.092140014867  0.234443485495  0.216742109866  -0.001115037147  0.003687587390  0.002133786042
  10  Al  2.045425397189  4.027172401730  1.996897155263  0.022369351016  0.060370105055  0.169113633511  0.002170172675  -0.002067585549  -0.001983050292
  11  Al  2.108213615212  6.079507945616  8.062306839778  -0.056067410944  0.116908258116  0.112071394779  -0.001702347354  0.001571122563  -0.000958820509
  12  Al  8.095908211752  4.007712973840  4.188034086740  -0.008125224796  -0.074441924613  -0.258377189841  -0.001153385024  -0.002274498338  0.002262586547
  13  Al  8.056315246544  6.026669277449  5.955225923082  0.288679855153  0.122153747096  0.258637515109  0.002514059557  -0.001196741298  -0.001574200053
  14  Al  1.988286473752  4.012476818762  6.090619998902  -0.014871385545  -0.005152667361  0.042905227304  -0.005111534594  -0.004621288947  0.003873445167
  15  Al  2.107742286281  6.136370038984  4.045931036568  -0.249529725680  -0.117954049761  0.130700106783  0.002201993388  0.003656235666  0.002839040408
  16  Al  4.053386143472  0.027485618928  8.088272580051  -0.032363742641  -0.123172362781  0.126258700086  -0.003046166827  -0.003548802881  0.003086235184
  17  Al  4.043050348038  1.976402852850  2.052944717900  0.198463664961  0.038939460820  -0.069785882655  0.002717846805  -0.003336855280  -0.000071007590
  18  Al  6.071096435449  0.017951959800  1.986432765561  -0.136788620421  -0.143716520483  0.167862493363  0.002494622477  -0.001551941131  -0.002769317100
  19  Al  6.042623069782  2.006278804786  8.092156560095  0.007208197262  0.075019477419  0.078812276488  0.003460056190  0.001792681595  -0.005538656061
  20  Al  4.059397344111  0.036649713654  4.039486943287  0.040324069672  -0.236605276558  -0.203695991833  0.000136668772  0.003584035221  0.001565919517
  21  Al  4.068488152315  2.019824802359  6.099628931807  -0.142813274182  0.103631816517  0.119959805734  0.003217003155  0.001973306725  -0.002560326370
  22  Al  6.090495149018  0.101605185744  6.107580965893  -0.017532646159  -0.198037290537  -0.054308801859  0.000078053867  0.001375554399  0.000197899153
  23  Al  6.124837971676  1.945423111133  3.972724120864  -0.025004250755  0.275794135662  0.209479189512  -0.001344396371  -0.003363294699  -0.002791243805
  24  Al  4.019711673609  4.054288724888  0.041436622318  0.144208680974  -0.032598354039  -0.093994112309  0.002710191647  0.001079964421  -0.001865431839
  25  Al  4.003252749271  6.115326320854  2.102529669328  0.129740220210  0.068548059185  -0.162161109373  0.002602135318  -0.002736852883  -0.002696704561
  26  Al  6.094551954968  4.094140288156  2.034198200653  -0.215370567450  -0.095913194444  0.027982109625  0.005050939958  -0.002802484138  0.004242432563
  27  Al  5.996866072192  6.079056708391  0.073758880202  -0.076010309672  -0.030196951690  -0.130828624575  -0.004011354374  -0.002675074856  0.000639047869
  28  Al  4.076205650459  4.070971010877  4.079485447473  -0.104674577010  -0.031267778913  -0.183063776999  -0.003119812829  -0.003173407913  -0.001085501382
  29  Al  4.030321624639  6.030954679430  6.064047268269  0.023907381994  0.123417989552  0.180811852799  -0.002716595647  -0.002936860288  -0.002613912292
  30  Al  6.011809874714  3.984906810126  6.056625485851  0.209646166521  -0.024784232389  0.082982974593  -0.005917211365  -0.000566227728  -0.001292098022
  31  Al  6.066032121533  6.067246669643  4.046999056254  -0.023922717447  0.123330075735  -0.284796375959  0.000111138340  0.001165675772  -0.003305289851


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)
  -77.532359939080  0.347327666756  -0.827484459324
  0.347327666756  -79.943577350127  0.243177471318
  -0.827484459324  0.243177471318  -78.301048362363
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.067497917547  8.083772005601  8.070859972751  0.070196689801  0.101916428369  0.010503567514  -0.003493533256  0.001709397904  0.006339907338
  1  Al  8.053062989798  2.024458921101  1.982237720309  0.081475820804  -0.032006205326  0.115215249708  0.001182712666  0.002794734871  0.005019927200
  2  Al  2.048697618387  8.086964880024  2.063757119743  0.112514003026  -0.070000662394  -0.012052878872  0.008908757774  -0.001513516757  0.002081235058
  3  Al  2.033859316401  1.997310064459  0.041058188658  -0.098370587554  0.118741391315  -0.364669057379  0.002211026513  -0.002410537591  0.001666644181
  4  Al  0.006542580426  0.011427945824  4.077448371734  0.064864004850  -0.016267996236  -0.153823417906  0.001414194514  -0.003466675150  0.002143595428
  5  Al  0.098780679912  2.033853006402  6.013654600369  -0.222979359587  0.027302991560  0.200734828510  -0.003587186067  0.000943424544  -0.002489284520
  6  Al  1.939943311752  8.090862317897  6.090585935381  0.126184446976  -0.056601687284  -0.020482150805  -0.004365383466  0.003170598384  0.001019298761
  7  Al  2.028298423664  2.045975601059  4.097024358915  -0.113101079058  -0.038064646028  -0.079435837905  0.001300985458  0.000444709155  -0.000176973965
  8  Al  8.030736490901  4.082609088104  8.069193109217  0.113388824428  -0.273137449467  -0.193137380856  -0.003254508654  0.003366577179  0.001715910936
  9  Al  8.090557462020  6.046375396065  2.011707173222  -0.089999508825  0.231527401654  0.209806279522  -0.001131320289  0.003729244852  0.002171919161
  10  Al  2.046511483429  4.026141307477  1.995913189435  0.019422377919  0.064409179505  0.171081383350  0.002173908826  -0.002056430371  -0.001952637102
  11  Al  2.107359935342  6.080298732654  8.061832439075  -0.055917824358  0.114666498676  0.118541090635  -0.001712358753  0.001591825179  -0.000938203919
  12  Al  8.095331156045  4.006572397144  4.189153830646  -0.008262540444  -0.074739954710  -0.265753513558  -0.001154850079  -0.002287835091  0.002215729640
  13  Al  8.057585180208  6.026076367028  5.954450384059  0.288480364706  0.122203773415  0.265940361030  0.002565657265  -0.001174895912  -0.001527303168
  14  Al  1.985730041709  4.010165943966  6.092558639334  -0.011027993658  -0.000053898469  0.043152094250  0.005741261021  -0.004614049885  -0.000025908013
  15  Al  2.108832129086  6.138192884313  4.047356399020  -0.255689816556  -0.119402291763  0.122812056822  0.002156827124  0.003635016180  0.002861704213
  16  Al  4.051861613411  0.025705711727  8.089821341361  -0.026576428503  -0.116264741079  0.123414446101  -0.003051436036  -0.003570208386  0.003108555784
  17  Al  4.044418142694  1.974736165790  2.052906094701  0.198128854065  0.042015580934  -0.068587633490  0.002753301891  -0.003329617957  -0.000083378083
  18  Al  6.072337632286  0.017169565157  1.985055610404  -0.135419514074  -0.139743654118  0.171053133061  0.001670480317  0.000199572422  0.004132939353
  19  Al  6.044353420081  2.007178498927  8.089390754945  -0.001122581265  0.072432639288  0.089109775843  0.003460600239  0.001805863708  -0.005523643950
  20  Al  4.059467480968  0.038431155093  4.040260797908  0.037863690794  -0.238845740889  -0.210012386319  -0.005977944410  -0.004999582555  0.001549506501
  21  Al  4.070090270190  2.020816088026  6.098354130782  -0.145485923222  0.096760698827  0.122571631540  0.003191229415  0.001991221671  -0.002538644234
  22  Al  6.090533392248  0.102284110748  6.107677487886  -0.019968746375  -0.198195992721  -0.052263767247  0.000074701269  0.001340131428  0.000188371642
  23  Al  6.124164655810  1.943753791682  3.971337862606  -0.021542161682  0.280800611538  0.211072654508  -0.003416822072  -0.001950118499  -0.003920375313
  24  Al  4.021073215508  4.054827249964  0.040499704896  0.143042287117  -0.029572405838  -0.091183839050  0.002735871676  0.001074406400  -0.001881986615
  25  Al  4.004559616271  6.113960958486  2.101174068505  0.124559998386  0.071917765754  -0.162129547354  0.002624869575  -0.002724295339  -0.002725695913
  26  Al  6.097067797960  4.092734758802  2.036320667725  -0.222918475479  -0.092732439972  0.021763999798  0.005011757233  -0.002819348922  0.004246879829
  27  Al  5.994856997371  6.077717821170  0.074072556144  -0.071279324262  -0.033838968249  -0.127647016171  -0.004024521961  -0.002680799621  0.000615940333
  28  Al  4.074641065128  4.069382909262  4.078934513897  -0.096716251374  -0.033583675659  -0.187056283153  -0.003137817024  -0.003179205587  -0.001118589849
  29  Al  4.028964395467  6.029491766026  6.062748394348  0.027117735223  0.122144551245  0.190054848982  -0.002712034038  -0.002914907173  -0.002580757075
  30  Al  6.008860640140  3.984622588416  6.055983146150  0.213450265438  -0.022612704503  0.085860968248  -0.005879386849  -0.000570464980  -0.001277003495
  31  Al  6.066086621366  6.067835020339  4.045333681033  -0.024311247259  0.118825602624  -0.284453659355  0.000106826259  0.001187324315  -0.003356180394


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)
  -77.453520698760  0.343061447601  -0.835616925716
  0.343061447601  -79.811608506941  0.235274513318
  -0.835616925716  0.235274513318  -78.350430240027
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.065754288685  8.084631260180  8.074030395926  0.079517281485  0.099783880205  0.005257711057  -0.003480148935  0.001727429766  0.006341316385
  1  Al  8.053657988071  2.025854857871  1.984752833989  0.081217457264  -0.044720023322  0.117246134333  0.001197257328  0.002787875601  0.005040709080
  2  Al  2.053157026609  8.086204992641  2.064797198512  0.099374326686  -0.070992758528  -0.010291177462  0.008927700438  -0.001526121468  0.002079237515
  3  Al  2.034960432528  1.996110103360  0.041875210173  -0.102250016227  0.114865005942  -0.371179870426  0.002193091176  -0.002389653347  0.001600859817
  4  Al  0.007252577081  0.009693881075  4.078513293596  0.067636180432  -0.006839077653  -0.159210046383  0.001426039935  -0.003468740906  0.002115610461
  5  Al  0.096977119782  2.034325939107  6.012418930884  -0.217499317857  0.028213666858  0.202722812568  -0.003626564543  0.000948387693  -0.002453215697
  6  Al  1.937766260418  8.092445087014  6.091094669217  0.129531748936  -0.058239896430  -0.024744301360  -0.004342522622  0.003160331629  0.001015255549
  7  Al  2.028943860815  2.046196254160  4.096932321179  -0.116324810474  -0.046911130587  -0.074139317229  0.001280474948  0.000437112382  -0.000190703474
  8  Al  8.029114305014  4.084280167548  8.070042431514  0.114694111658  -0.272071767694  -0.204968910439  -0.003234118204  0.003317835867  0.001680320520
  9  Al  8.089987778930  6.048250367683  2.012802511068  -0.086016293394  0.231866911267  0.207773126176  0.000372369148  0.001167713195  0.000099954355
  10  Al  2.047599306015  4.025115971359  1.994944518161  0.018287491451  0.071765508495  0.174780764003  0.002177280061  -0.002044256452  -0.001921717275
  11  Al  2.106501256459  6.081099770795  8.061368635859  -0.053147396715  0.113319022431  0.119459313883  -0.001722109106  0.001612206921  -0.000916926854
  12  Al  8.094753361673  4.005425138749  4.190249816379  -0.009156067448  -0.074826456424  -0.264345696360  -0.001156407290  -0.002301206220  0.002168339152
  13  Al  8.058880903809  6.025494381537  5.953698619914  0.289322836482  0.121774175325  0.268985755749  0.002617312455  -0.001153084459  -0.001479481158
  14  Al  1.988600179272  4.007858916614  6.092547614211  -0.021485273694  0.003602391583  0.041876018245  -0.002597016455  0.006351704215  -0.000734822456
  15  Al  2.109899113405  6.140005055164  4.048792740781  -0.261394827638  -0.120631352793  0.121839065430  0.002110600129  0.003613557345  0.002883575847
  16  Al  4.050334707436  0.023915410542  8.091381135835  -0.020745328502  -0.110772808583  0.117354314395  -0.003055666567  -0.003590505380  0.003130080338
  17  Al  4.045803649928  1.973073234892  2.052861339817  0.199677997900  0.042373755286  -0.065855469264  0.002788865537  -0.003322073611  -0.000095397200
  18  Al  6.073166819241  0.017263104877  1.987129726094  -0.136605573809  -0.140235626255  0.166595814048  0.001646161470  0.000174542476  0.004163124926
  19  Al  6.046083670021  2.008084668494  8.086632916145  -0.008613030378  0.070090851460  0.094016066219  0.003459729883  0.001818605206  -0.005507272632
  20  Al  4.056480201256  0.035920687497  4.041026163680  0.045180672115  -0.229361556879  -0.208831778991  -0.005212847901  0.001456712886  -0.006508040163
  21  Al  4.071679381729  2.021816024030  6.097090287573  -0.147194974155  0.090784580963  0.121561988387  0.003165063953  0.002007988084  -0.002516818864
  22  Al  6.090569850287  0.102945317172  6.107769337536  -0.021900872477  -0.199344325164  -0.053862534203  0.000070958156  0.001304591610  0.000178884027
  23  Al  6.122455281847  1.942791284119  3.969387109821  -0.017569214671  0.284685260466  0.222423955844  -0.003420318601  -0.001899564469  -0.003881621028
  24  Al  4.022447545285  4.055363131288  0.039554635703  0.146280193645  -0.025611362111  -0.094907399847  0.002761736898  0.001069473011  -0.001898623038
  25  Al  4.005877618846  6.112602025515  2.099803973416  0.121503211657  0.073366037461  -0.157293214536  0.002646867449  -0.002711307072  -0.002754252078
  26  Al  6.099563712201  4.091320939234  2.038445080483  -0.233354681656  -0.088130214544  0.018067465302  0.004970966741  -0.002835517913  0.004250440733
  27  Al  5.992841550230  6.076375908770  0.074374820535  -0.069821434281  -0.038163861822  -0.129221164633  -0.004037136268  -0.002687236623  0.000592976503
  28  Al  4.073067833434  4.067791805291  4.078366857623  -0.085211265078  -0.030692078563  -0.182458575190  -0.003154081214  -0.003184951793  -0.001151624212
  29  Al  4.027609590601  6.028039772257  6.061466511194  0.031844459851  0.117888517892  0.193188359986  -0.002706762860  -0.002893448389  -0.002546495408
  30  Al  6.005930487866  3.984336345146  6.055348482357  0.213293417434  -0.018806137087  0.085688907825  -0.005841236270  -0.000574167794  -0.001261667059
  31  Al  6.066138947792  6.068433993958  4.043642875860  -0.029071008541  0.111970868806  -0.277528117129  0.000102053923  0.001207957354  -0.003406421161


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)
  -77.350672230366  0.339141597527  -0.844238672420
  0.339141597527  -79.728149449809  0.213080783680
  -0.844238672420  0.213080783680  -78.302272081488
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.064017768612  8.085499435367  8.077201289136  0.086887561412  0.092203347565  0.005044249149  -0.003465272462  0.001744593286  0.006342237373
  1  Al  8.054260247126  2.027246796702  1.987278429390  0.078675541967  -0.053885691880  0.116779405395  0.001211551647  0.002779060321  0.005061630795
  2  Al  2.057625318825  8.085438758557  2.065836357258  0.088877410976  -0.072710660256  -0.012459811603  0.008944530008  -0.001538968450  0.002077203593
  3  Al  2.036052407577  1.994920411111  0.042659048475  -0.105677115890  0.114926785273  -0.369843895596  0.002174502640  -0.002369110127  0.001534612825
  4  Al  0.007968620361  0.007959204918  4.079563982195  0.069610244139  0.001694380257  -0.170215345179  0.001438309667  -0.003469200838  0.002086160068
  5  Al  0.095154115369  2.034801394095  6.011201384672  -0.216020317372  0.031951462190  0.205126693044  -0.003665320887  0.000953766413  -0.002416754245
  6  Al  1.935600789130  8.094022649525  6.091601190930  0.132881591526  -0.065351763113  -0.027262145560  -0.004319063058  0.003149282623  0.001010606210
  7  Al  2.029578898613  2.046412713441  4.096833655442  -0.117884107814  -0.051993846730  -0.076085322244  0.001259536840  0.000428270348  -0.000204133448
  8  Al  8.027502372697  4.085926923971  8.070873429737  0.114548073854  -0.270226306376  -0.208392293745  -0.003213624118  0.003269354809  0.001643366326
  9  Al  8.090170118606  6.048844588648  2.012861775629  -0.081515257314  0.236105483607  0.202341802178  0.000357391948  0.001209549591  0.000136618335
  10  Al  2.048688763490  4.024097051026  1.993991472160  0.016259561917  0.077902341195  0.174851152912  0.002180368543  -0.002030876254  -0.001890460434
  11  Al  2.105637826236  6.081910939575  8.060915512221  -0.052811999793  0.113378083620  0.126091488362  -0.001731581799  0.001632473479  -0.000894974789
  12  Al  8.094174748755  4.004271190923  4.191322169798  -0.012216393971  -0.073790246632  -0.267632881840  -0.001158317973  -0.002314492447  0.002120780650
  13  Al  8.060202492663  6.024923282570  5.952970902901  0.290310820174  0.122101239678  0.273968768215  0.002669131287  -0.001131282172  -0.001430941415
  14  Al  1.987300710661  4.011034929747  6.092182074826  -0.023071651051  -0.002586967973  0.042682204937  -0.002600999812  0.006351794993  -0.000727263012
  15  Al  2.110942729215  6.141806441658  4.050239974867  -0.267705550444  -0.119996801047  0.117255128591  0.002063298936  0.003592045361  0.002904950696
  16  Al  4.048805946844  0.022115206348  8.092951421699  -0.015779512616  -0.105785797220  0.116631525615  -0.003058931861  -0.003609865563  0.003150998504
  17  Al  4.047207008231  1.971414092178  2.052810697502  0.201554614631  0.046757229161  -0.065957700480  0.002824735444  -0.003314105366  -0.000107181202
  18  Al  6.073983793756  0.017344107633  1.989218735330  -0.134789542550  -0.141376842314  0.159164412781  0.001621898942  0.000149366524  0.004192247656
  19  Al  6.047813149963  2.008997104133  8.083883482313  -0.015381929835  0.069722411797  0.105890458792  0.005186569278  0.001735959690  -0.001566277205
  20  Al  4.053875796866  0.036638791561  4.037762808893  0.048207478989  -0.230097839847  -0.203439829825  -0.005204499067  0.001415637547  -0.006544896948
  21  Al  4.073255334143  2.022824076111  6.095837311918  -0.148301503016  0.086268111057  0.121964448860  0.003138646781  0.002023816468  -0.002495047776
  22  Al  6.090604350404  0.103588702358  6.107856371913  -0.023571184231  -0.199162077566  -0.052339679774  0.000066892986  0.001268965424  0.000169389626
  23  Al  6.120744337208  1.941854227213  3.967456241578  -0.012350420370  0.291106600802  0.225747638124  -0.003422993395  -0.001848089091  -0.003841554810
  24  Al  4.023834952406  4.055896722975  0.038601081858  0.147510610353  -0.021897909149  -0.093180874855  0.002788001584  0.001065225716  -0.001915437994
  25  Al  4.007206483720  6.111249651414  2.098419816427  0.113920047141  0.077887130116  -0.156956478161  0.002667914118  -0.002697785148  -0.002782345774
  26  Al  6.102038764701  4.089899240889  2.040571108458  -0.243153668858  -0.091554305988  0.010386235848  0.004928367237  -0.002851581580  0.004252984474
  27  Al  5.990819861103  6.075030584547  0.074665532647  -0.063987006853  -0.039918938716  -0.127750505344  -0.004049098646  -0.002694217169  0.000570003420
  28  Al  4.071486983915  4.066197957469  4.077782889685  -0.075471915096  -0.031516740533  -0.185690337101  -0.003168446174  -0.003190513216  -0.001184536460
  29  Al  4.026257632607  6.026598317637  6.060201898940  0.034065796652  0.117644891936  0.199129649896  0.002309391244  0.000335013485  0.002430137103
  30  Al  6.003019403870  3.984048420622  6.054721479090  0.217221873357  -0.015579771819  0.088110487158  -0.005802748513  -0.000577241870  -0.001246129518
  31  Al  6.066188675290  6.069042977692  4.041927259872  -0.030842150013  0.107783008904  -0.273958648549  0.001493575879  0.000640058018  -0.004204554342


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)
  -77.261630992923  0.325134475867  -0.852646352332
  0.325134475867  -79.664521344786  0.192777406770
  -0.852646352332  0.192777406770  -78.240568524377
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.062289016224  8.086375853467  8.080372633298  0.093989987930  0.084039283847  -0.000293807422  -0.003449102139  0.001760349251  0.006342662059
  1  Al  8.054869539718  2.028633918192  1.989814464785  0.075565855700  -0.063049232582  0.119655313296  0.001225340717  0.002768606423  0.005082767889
  2  Al  2.062101556618  8.084666024191  2.066874402106  0.081295078174  -0.072149556148  -0.012708828046  0.008959743306  -0.001551918849  0.002074953535
  3  Al  2.037134935168  1.993740993234  0.043409822998  -0.107233693857  0.113422052169  -0.370649252709  0.002155468567  -0.002348695905  0.001468413271
  4  Al  0.008690886748  0.006224680237  4.080599453665  0.070712166332  0.012614660329  -0.174651501505  0.001450854389  -0.003467921621  0.002055329220
  5  Al  0.093311798895  2.035279705520  6.010002176639  -0.214447526433  0.036840237778  0.201320868088  0.005813125426  -0.001543199581  0.003180841513
  6  Al  1.933447197360  8.095594369637  6.092105275427  0.136692509507  -0.071966753601  -0.031096562775  -0.004294963328  0.003137006447  0.001005388983
  7  Al  2.030203397655  2.046624524508  4.096728187731  -0.118552007122  -0.056459765804  -0.073540822826  0.001238399621  0.000418574673  -0.000217509918
  8  Al  8.025900680896  4.087549522357  8.071685797840  0.114056404821  -0.266881281693  -0.217088726874  -0.003193187042  0.003221337778  0.001605328629
  9  Al  8.090345170878  6.049459917273  2.012939129403  -0.076598680737  0.238152913610  0.198959551339  0.000343256676  0.001251947950  0.000172494387
  10  Al  2.049779674557  4.023085095106  1.993054057727  0.015461783414  0.082746612757  0.178982532791  0.002183204408  -0.002016514353  -0.001858827957
  11  Al  2.104769674659  6.082732244274  8.060473661070  -0.050750159679  0.114000653935  0.126693610405  -0.001740840182  0.001652800974  -0.000872375983
  12  Al  8.093595043700  4.003110646302  4.192370597029  -0.015628362578  -0.074229542254  -0.264727420261  -0.001160807274  -0.002327725309  0.002073188022
  13  Al  8.061550035096  6.024363099365  5.952267678499  0.290380712062  0.121102444795  0.277930157630  0.002721044692  -0.001109539938  -0.001381602048
  14  Al  1.985999179461  4.014210711607  6.091820351199  -0.026676761370  -0.007043907702  0.039828070001  -0.002605447284  0.006350934000  -0.000719886653
  15  Al  2.111962412341  6.143597100524  4.051697691477  -0.272852666316  -0.120616228298  0.118325410429  0.002014973421  0.003570534729  0.002926011426
  16  Al  4.047275775575  0.020305544979  8.094532134338  -0.009889032501  -0.100751765116  0.113403011587  -0.003061226611  -0.003628329873  0.003171563426
  17  Al  4.048628385372  1.969759129527  2.052754158615  0.202222854977  0.049916809281  -0.062088297835  0.002860832859  -0.003305462776  -0.000118628422
  18  Al  6.074788718183  0.017412471401  1.991321973750  -0.135331529988  -0.141607907677  0.153735142341  0.001597750312  0.000124067891  0.004220220651
  19  Al  6.050405747036  2.009868200545  8.083105076976  -0.026262340894  0.068038604554  0.107232604470  0.005182846310  0.001748275426  -0.001547224157
  20  Al  4.051275702189  0.037336325044  4.034481266732  0.052815230897  -0.227488274989  -0.195250379575  -0.005195467710  0.001374729677  -0.006580539566
  21  Al  4.074818028510  2.023839840498  6.094595239797  -0.147686874685  0.080707270531  0.119890143360  0.003112185633  0.002038743947  -0.002473426149
  22  Al  6.090636743274  0.104214282597  6.107938727161  -0.025515871538  -0.197713308781  -0.052181292336  0.001386864280  0.001037752727  -0.003789553678
  23  Al  6.119032288452  1.940943195028  3.965545555011  -0.006339445891  0.297616234184  0.234754822893  -0.003424664256  -0.001795457693  -0.003800386222
  24  Al  4.025235546870  4.056428357005  0.037639197709  0.149326248567  -0.017446568944  -0.094414376461  0.002814538586  0.001061708348  -0.001932208875
  25  Al  4.008545532964  6.109904240367  2.097021627642  0.108021886541  0.083578827299  -0.155261134789  0.002687755568  -0.002683350207  -0.002810257804
  26  Al  6.104492079438  4.088469357654  2.042698064956  -0.253192865404  -0.095414185977  0.006381485998  0.004883994214  -0.002868296429  0.004254483496
  27  Al  5.988792451584  6.073681691601  0.074944823955  -0.058075524082  -0.041198309392  -0.129639082245  -0.004060010948  -0.002701468992  0.000546992976
  28  Al  4.069899387260  4.064601292074  4.077182321164  -0.064659084558  -0.032782964094  -0.183860914443  -0.003180973785  -0.003196261564  -0.001217574076
  29  Al  4.027413850958  6.026771083064  6.061425868515  0.030210764574  0.113523753426  0.196830448623  0.002315137523  0.000355679796  0.002465535651
  30  Al  6.000127739352  3.983759103277  6.054102352838  0.223494794659  -0.012672184762  0.087304916842  -0.005763348760  -0.000579767574  -0.001230447508
  31  Al  6.066934084596  6.069367824563  4.039812736848  -0.034553850521  0.103171379318  -0.263775689989  0.001487729524  0.000658917189  -0.004252627405


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)
  -77.089066907669  0.314754513994  -0.855658704647
  0.314754513994  -79.603318417574  0.183716801099
  -0.855658704647  0.183716801099  -78.222311689511
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.060568666473  8.087259784618  8.083543951195  0.102500780184  0.074952468178  -0.002176060491  -0.003431536006  0.001774562999  0.006342441254
  1  Al  8.055485587843  2.030015403126  1.992361197278  0.074923557990  -0.071248587891  0.117432207019  0.001238794363  0.002756600295  0.005103963343
  2  Al  2.066585062131  8.083886839708  2.067911310793  0.073705278248  -0.070198592387  -0.016572487923  0.008973600226  -0.001564644671  0.002072335807
  3  Al  2.038207876144  1.992571715206  0.044127461745  -0.108158766883  0.113906520071  -0.367702156044  0.002136212636  -0.002328372894  0.001402405186
  4  Al  0.009419474751  0.004491283297  4.081619311416  0.072697355609  0.022248347341  -0.182412839224  -0.002158182813  0.002810577754  -0.001728768234
  5  Al  0.096208775881  2.034509752475  6.011601596366  -0.220799372785  0.045207057415  0.194449070405  0.005774214666  -0.001535864612  0.003216223061
  6  Al  1.931305825802  8.097159655972  6.092606579914  0.144733870783  -0.080324357450  -0.033080135143  -0.004269804012  0.003123391731  0.000999651633
  7  Al  2.030817298234  2.046831288114  4.096616145524  -0.116249033781  -0.062518230965  -0.074620620160  0.001217408577  0.000407938126  -0.000230755444
  8  Al  8.024309185655  4.089148261749  8.072478758367  0.116406171979  -0.263162493732  -0.219035750884  -0.003172583853  0.003173952245  0.001566339415
  9  Al  8.090513375282  6.050096536598  2.013034270016  -0.077023264111  0.239335122829  0.192901541269  0.000329522984  0.001294635037  0.000207526487
  10  Al  2.050871967898  4.022080536673  1.992132644204  0.016080250876  0.086208977304  0.178160871568  0.002186024243  -0.002001409845  -0.001826899593
  11  Al  2.103896986054  6.083563740550  8.060043136238  -0.048989428903  0.112653642576  0.130260710728  -0.001749756829  0.001673063705  -0.000849404452
  12  Al  8.093013941481  4.001943465614  4.193395357819  -0.018724164435  -0.076338255379  -0.265142929151  -0.001163878365  -0.002341185962  0.002025817994
  13  Al  8.062923537355  6.023813742632  5.951589300853  0.291853573805  0.122144850648  0.285107073756  0.002773096018  -0.001087793804  -0.001331266925
  14  Al  1.984695263377  4.017385863747  6.091462188173  -0.026262894142  -0.011568953047  0.043222858566  -0.002610180051  0.006349270024  -0.000712461959
  15  Al  2.112957702635  6.145376976387  4.053165986293  -0.274991782812  -0.119952002941  0.116819235755  0.001965996521  0.003549028102  0.002947033189
  16  Al  4.045744720233  0.018486876475  8.096122985125  -0.005739680799  -0.096532483623  0.112111250789  -0.003062623807  -0.003645966942  0.003191724238
  17  Al  4.050067841090  1.968108629402  2.052692069079  0.201161218303  0.056283641241  -0.061225222114  0.002896895105  -0.003295968532  -0.000129652562
  18  Al  6.075581544068  0.017468175524  1.993438955981  -0.133406210309  -0.146090309068  0.146528383466  0.001573725352  0.000098347877  0.004247063994
  19  Al  6.052995996274  2.010745379559  8.082336258156  -0.036568736347  0.066445153590  0.113824837467  0.005177229257  0.001760298177  -0.001527461781
  20  Al  4.048680329156  0.038013521238  4.031182269327  0.056429648988  -0.227721017147  -0.187765430633  -0.005185701296  0.001334034294  -0.006614780904
  21  Al  4.076367519776  2.024862820057  6.093363885768  -0.152940736999  0.072999739101  0.121529821312  0.003085309741  0.002052485243  -0.002451843378
  22  Al  6.091329034863  0.104724321246  6.106041617838  -0.028764821488  -0.199110502119  -0.044074259671  0.001382011625  0.001002276963  -0.003798158855
  23  Al  6.117319672953  1.940058769520  3.963655855356  -0.000663746502  0.303399966244  0.236904810550  -0.003425290336  -0.001741727277  -0.003758220190
  24  Al  4.026649490992  4.056958431323  0.036668872983  0.147946835794  -0.013123213544  -0.089461805786  0.002841114586  0.001058975432  -0.001948647273
  25  Al  4.009894239287  6.108566301207  2.095609558623  0.101309588723  0.087697425180  -0.156342244446  0.002706469651  -0.002668038234  -0.002838114922
  26  Al  6.106922758915  4.087030944460  2.044825591955  -0.262439167283  -0.095671924165  -0.001500622605  0.004837897082  -0.002885379390  0.004254919842
  27  Al  5.986759850155  6.072329115555  0.075212525623  -0.049919643180  -0.042734706774  -0.125173947679  -0.004069665639  -0.002708972544  0.000524212875
  28  Al  4.068306010130  4.063001695906  4.076565315609  -0.055248746711  -0.031491252092  -0.187396355534  -0.003191693459  -0.003202007632  -0.001250764208
  29  Al  4.028572770130  6.026953997432  6.062667434591  0.026841893796  0.110998499806  0.194540470900  0.002320237989  0.000375751924  0.002500523930
  30  Al  5.997256055109  3.983468653047  6.053491031583  0.228657836814  -0.006404603047  0.089871103121  -0.005722926640  -0.000581473025  -0.001214608099
  31  Al  6.067676404813  6.069701894881  4.037674632468  -0.038357664422  0.099710073847  -0.259981379186  0.001481211287  0.000677054645  -0.004299450910


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)
  -76.916311702590  0.298039169199  -0.864497677050
  0.298039169199  -79.535622227974  0.183957616953
  -0.864497677050  0.183957616953  -78.194966395487
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.058857480218  8.088150416465  8.086715074553  0.111158197730  0.067225626316  -0.006326285324  -0.003412435047  0.001787273618  0.006341681151
  1  Al  8.056108334081  2.031390518487  1.994918428127  0.072696796403  -0.080769655356  0.115977512930  0.001251991516  0.002743009973  0.005124830004
  2  Al  2.071075156844  8.083101379520  2.068946737912  0.065455781105  -0.068326250074  -0.021101495922  0.008986041125  -0.001577028692  0.002068967780
  3  Al  2.039271147804  1.991412620340  0.044812228184  -0.110723277316  0.114811545199  -0.369436628906  0.002116644738  -0.002307925664  0.001336505509
  4  Al  0.008343632890  0.005897566667  4.080746773510  0.078750054254  0.024098488161  -0.182058358275  -0.002144643524  0.002814721127  -0.001761351697
  5  Al  0.099086013562  2.033743840908  6.013218399700  -0.226241832201  0.054555453907  0.187169138907  0.005734249504  -0.001526945915  0.003250339454
  6  Al  1.929177393348  8.098717761368  6.093104927060  0.151066114758  -0.087450696211  -0.036179061103  -0.003560692972  -0.000227418057  -0.001263698895
  7  Al  2.031420806232  2.047032462634  4.096497432287  -0.114493006469  -0.067652188712  -0.071052522510  0.001196780405  0.000396300984  -0.000243778518
  8  Al  8.022728097043  4.090723474603  8.073252137255  0.120591542131  -0.260234661060  -0.226067661363  -0.003151396428  0.003127160916  0.001526547490
  9  Al  8.090674693862  6.050754552310  2.013146655889  -0.078343295081  0.242887113660  0.187357698760  0.000315633326  0.001337745358  0.000241521389
  10  Al  2.051965698801  4.021083685261  1.991227158134  0.016029207828  0.089630388220  0.177272456186  0.002188894806  -0.001985689932  -0.001795124110
  11  Al  2.103019917830  6.084405307980  8.059624256619  -0.046441747661  0.112429012415  0.130495750552  -0.001758288308  0.001693185933  -0.000826093012
  12  Al  8.092431165335  4.000769460340  4.194396415023  -0.023422905743  -0.080464988302  -0.260890063021  -0.001167646283  -0.002355204059  0.001978791023
  13  Al  8.064323131114  6.023275305561  5.950936411574  0.292562163374  0.124857736117  0.289998339230  0.002825342365  -0.001065711951  -0.001279852915
  14  Al  1.983388999410  4.020559981631  6.091107889240  -0.025688510921  -0.017989235866  0.046013670654  -0.002614824469  0.006346627543  -0.000704484278
  15  Al  2.113928408862  6.147146128627  4.054644724665  -0.277459976292  -0.118951169567  0.118320293753  0.001916607731  0.003527670331  0.002968054493
  16  Al  4.044213151768  0.016659578037  8.097723858577  -0.002095538708  -0.095396165338  0.109222830883  -0.003063324270  -0.003663125225  0.003211511346
  17  Al  4.051525280477  1.966463160995  2.052624506053  0.201967393177  0.061686574854  -0.058447189193  0.002932934513  -0.003285422080  -0.000140351190
  18  Al  6.076362443535  0.017510819279  1.995569037744  -0.131777817560  -0.149933822545  0.141515955985  0.001550018091  0.000071883533  0.004272814951
  19  Al  6.055582976293  2.011628498722  8.081577615195  -0.045555548047  0.064785076976  0.117322660828  0.005169887405  0.001772030065  -0.001506797361
  20  Al  4.046090000893  0.038670359338  4.027866485828  0.063689798875  -0.226749883317  -0.178201727608  -0.005174962704  0.001293404923  -0.006647498105
  21  Al  4.077903338251  2.025892325741  6.092143396418  -0.158173305794  0.068015311080  0.119308263387  0.003057496369  0.002065091887  -0.002430312627
  22  Al  6.092018754898  0.105216559560  6.104140568307  -0.031420785846  -0.199628267587  -0.039718812607  0.001376631075  0.000966630004  -0.003805649895
  23  Al  6.115606998116  1.939201467751  3.961787334821  0.002744196906  0.310184742524  0.242897288109  -0.003425104345  -0.001686873246  -0.003715326228
  24  Al  4.028076661455  4.057487332436  0.035690550436  0.146636476663  -0.009835241034  -0.088362995076  0.002867450122  0.001056922962  -0.001964544682
  25  Al  4.011252002615  6.107236202133  2.094183512720  0.096299908871  0.094194585929  -0.157146244702  0.002724135798  -0.002651777219  -0.002866140567
  26  Al  6.109329976520  4.085583978264  2.046952984798  -0.272611415696  -0.096144017482  -0.007228333132  0.004790063945  -0.002902527597  0.004254139479
  27  Al  5.984722785945  6.070972719057  0.075469036830  -0.043772082029  -0.042045220394  -0.122003451912  -0.004078041612  -0.002716551808  0.000502115393
  28  Al  4.066707693802  4.061399284442  4.075931556955  -0.044218938032  -0.030684412246  -0.184647334293  -0.003200585798  -0.003207566092  -0.001284024647
  29  Al  4.029734088947  6.027146834987  6.063926392444  0.023494691251  0.107044537061  0.190515895323  0.002324738044  0.000395244814  0.002534947692
  30  Al  5.994404812712  3.983177630251  6.052887744739  0.232603355955  -0.001676594980  0.088603977207  -0.005681690222  -0.000582195479  -0.001198652555
  31  Al  6.068415295883  6.070044879208  4.035513285939  -0.043305695887  0.097526277650  -0.253123567746  0.001473910641  0.000694687432  -0.004345322123


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)
  -76.740694574940  0.289381176510  -0.870087295652
  0.289381176510  -79.459568526155  0.187227844517
  -0.870087295652  0.187227844517  -78.159895895502
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.057156231426  8.089047058236  8.089885632345  0.119322916763  0.059416925668  -0.008063751467  -0.003391830201  0.001798595371  0.006340394692
  1  Al  8.056737579359  2.032758413099  1.997486027282  0.070525961524  -0.089051452013  0.115775158961  0.001264795528  0.002727828088  0.005145548526
  2  Al  2.075571103256  8.082309811015  2.069980278573  0.055757018377  -0.066013343298  -0.024579543844  0.008996877462  -0.001589038555  0.002064883927
  3  Al  2.040324520882  1.990263789542  0.045463967254  -0.114104014904  0.116485127646  -0.367490750206  0.002096545340  -0.002287247908  0.001270624732
  4  Al  0.007274831227  0.007306004425  4.079857959719  0.084334456590  0.028300551573  -0.185351743171  -0.002130063886  0.002819405564  -0.001794197895
  5  Al  0.101943025385  2.032982806560  6.014851935820  -0.232193217813  0.063231860477  0.178629312839  0.005693265741  -0.001516415814  0.003283041572
  6  Al  1.927403799463  8.098600143325  6.092471460422  0.156475024735  -0.091016642374  -0.037333922552  -0.003533199016  -0.000243372908  -0.001270270902
  7  Al  2.032014078638  2.047227589098  4.096372367005  -0.114047939576  -0.072692989926  -0.071627243350  0.001176349009  0.000383754226  -0.000256533987
  8  Al  8.021157789227  4.092275422665  8.074005305857  0.124502218922  -0.256724449650  -0.229257748432  -0.003129485222  0.003080945144  0.001485841726
  9  Al  8.090829008608  6.051434281955  2.013275791405  -0.078826364763  0.244137068219  0.181338951191  -0.000249487786  -0.001495096629  -0.001084278572
  10  Al  2.053060862703  4.020094846741  1.990337520094  0.014021364790  0.092094367899  0.176647282873  0.002191581305  -0.001969443869  -0.001763483940
  11  Al  2.102138697746  6.085256926482  8.059217043226  -0.044284449352  0.110041545812  0.132594444839  -0.001766399165  0.001713074641  -0.000802572938
  12  Al  8.091846295198  3.999588261554  4.195374148842  -0.027138562743  -0.085645394429  -0.260921122100  -0.001172166442  -0.002370054208  0.001932141479
  13  Al  8.065748879720  6.022748030681  5.950309447938  0.293458280347  0.126211548218  0.294842693060  0.002877732170  -0.001043266538  -0.001227568547
  14  Al  1.982080438908  4.023732491290  6.090757703896  -0.025278432884  -0.022335432367  0.048417872053  -0.002619380877  0.006343022546  -0.000696042166
  15  Al  2.114874310367  6.148904646718  4.056134040787  -0.279618394487  -0.119318430309  0.117752639323  0.001866805326  0.003506369200  0.002989159244
  16  Al  4.042681395964  0.014823751250  8.099334496471  0.002714479041  -0.094902229245  0.107092308495  -0.001979379492  -0.005001279437  0.001801577939
  17  Al  4.053000775603  1.964823207322  2.052551717890  0.202574016222  0.067683281995  -0.055228515603  0.002969100223  -0.003273856508  -0.000150513716
  18  Al  6.077131562159  0.017540059058  1.997711770932  -0.128651986617  -0.151535829573  0.136295955741  0.001526735854  0.000044932363  0.004297651136
  19  Al  6.058165883679  2.012517409624  8.080829460795  -0.053802546521  0.063422595115  0.123272785590  0.005161004863  0.001783491739  -0.001485288301
  20  Al  4.043505366452  0.039306926161  4.024534771222  0.070740361810  -0.225872838533  -0.169291684097  -0.005162944744  0.001252940777  -0.006678563766
  21  Al  4.079425016145  2.026927911944  6.090933573141  -0.162060592017  0.062153785924  0.117042916702  0.003028867689  0.002076728910  -0.002409183002
  22  Al  6.092705665938  0.105690951251  6.102235967943  -0.034997467513  -0.200190618724  -0.035040561824  0.001370693331  0.000930886484  -0.003812333329
  23  Al  6.113894568608  1.938371896275  3.959940529129  0.007800833591  0.316363003046  0.245418103894  -0.003424161627  -0.001630860328  -0.003671671183
  24  Al  4.029516941114  4.058015354286  0.034704328301  0.145556373265  -0.005877067009  -0.085550634450  0.002893571952  0.001055518293  -0.001980092436
  25  Al  4.012618375085  6.105914523988  2.092743418056  0.090618897539  0.099459858735  -0.157749446075  0.002740846204  -0.002634464651  -0.002894292015
  26  Al  6.111712822860  4.084128416863  2.049079731434  -0.280687048050  -0.096848501210  -0.012925775679  0.004740599460  -0.002919780989  0.004252337717
  27  Al  5.982681808543  6.069612563747  0.075714641016  -0.036987348467  -0.042864756044  -0.118261210866  -0.004085261446  -0.002724142699  0.000480635905
  28  Al  4.065105424332  4.059794129813  4.075281290963  -0.034121257783  -0.029499920020  -0.184487394688  -0.003207589355  -0.003212946528  -0.001317025026
  29  Al  4.030897508173  6.027349242247  6.065202382282  0.019914121465  0.103003380006  0.186448308956  0.002328618760  0.000414022947  0.002568648020
  30  Al  5.991574364887  3.982886457569  6.052292379027  0.236675069960  0.003508609528  0.089119566406  -0.005639737068  -0.000582031698  -0.001182764198
  31  Al  6.069150315454  6.070396582313  4.033329310345  -0.048191771450  0.094876384865  -0.247527252518  0.000056819459  0.000120668186  -0.001683185834


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)
  -76.544407821353  0.282597700520  -0.876509433216
  0.282597700520  -79.392191966161  0.186913150242
  -0.876509433216  0.186913150242  -78.104194565256
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.055465650017  8.089949011837  8.093055469245  0.126791936789  0.051100478039  -0.012329046745  -0.003369827710  0.001808475548  0.006338571590
  1  Al  8.057373129608  2.034118346575  2.000063976653  0.067763392791  -0.097218645912  0.115306305992  0.000621410728  0.000436310987  0.002577676457
  2  Al  2.080072034306  8.081512340965  2.071011621840  0.046491941307  -0.064065449195  -0.027232661157  0.009006018445  -0.001600667506  0.002060251954
  3  Al  2.041367693144  1.989125372432  0.046082852916  -0.116832684186  0.117983664180  -0.368120017987  0.002075899766  -0.002266286566  0.001204861658
  4  Al  0.006213569004  0.008716972231  4.078952575615  0.090077469353  0.032063013619  -0.186453174634  -0.002114471585  0.002824802023  -0.001827436988
  5  Al  0.104779279302  2.032227425094  6.016501441272  -0.238594654214  0.071996022121  0.170076953989  0.005651177644  -0.001504326539  0.003314215662
  6  Al  1.925644194333  8.098474388459  6.091834656157  0.162894290359  -0.095894650295  -0.039276125791  -0.003504647629  -0.000260082643  -0.001277119786
  7  Al  2.032597155241  2.047416216860  4.096240898300  -0.112542407765  -0.077771349145  -0.070681022148  0.001156091995  0.000370302822  -0.000269256243
  8  Al  8.019598611820  4.093804419747  8.074737978981  0.127830044201  -0.254134262285  -0.235198094448  -0.003106926900  0.003035274743  0.001444319708
  9  Al  8.090700741204  6.050697646480  2.012741757905  -0.078424416692  0.249527070561  0.177741859015  -0.000263545893  -0.001450963411  -0.001052177006
  10  Al  2.054157280106  4.019114241392  1.989463674194  0.013195111919  0.094339325299  0.176776918059  0.002194014439  -0.001952776831  -0.001731888070
  11  Al  2.101253518665  6.086118382620  8.058821683681  -0.042028398084  0.107641199407  0.132161062369  -0.001774115471  0.001732535321  -0.000778903986
  12  Al  8.091258998894  3.998399406132  4.196328556502  -0.030882603783  -0.090395375620  -0.257664818795  -0.005202888291  0.001013282627  -0.002006534366
  13  Al  8.067200863285  6.022232039023  5.949708843027  0.294150513857  0.127168554858  0.300505971433  0.002930263974  -0.001020614539  -0.001174344805
  14  Al  1.980769618532  4.026903004178  6.090411847074  -0.025028091129  -0.026938522397  0.049999651745  -0.000595139468  -0.002197501744  0.005074432992
  15  Al  2.115795214188  6.150652497827  4.057633883909  -0.280699367213  -0.119836467145  0.119133404295  0.001725073387  -0.001790065769  0.004704382301
  16  Al  4.041691827554  0.012318869436  0.000243824684  0.005899791568  -0.093373457358  0.104318636230  -0.001978609382  -0.005018111148  0.001820477925
  17  Al  4.054494380700  1.963189304487  2.052473992337  0.202919123509  0.073224063517  -0.050892564650  0.003005351018  -0.003261259492  -0.000160000864
  18  Al  6.077889179388  0.017555751642  1.999866688880  -0.126406582100  -0.153320395224  0.131419569339  0.001503933801  0.000017678436  0.004321584711
  19  Al  6.060743981156  2.013411990461  8.080092326894  -0.061085247808  0.062315414569  0.127310804890  0.005150733977  0.001794732627  -0.001462886308
  20  Al  4.040927056149  0.039923300115  4.021187922062  0.077864527792  -0.224889584801  -0.158268803947  -0.000365190804  -0.001850006340  0.000985952853
  21  Al  4.080932205940  2.027969054651  6.089734213417  -0.165794937245  0.056358650064  0.113607311984  0.002025905428  -0.002313666180  -0.000933968106
  22  Al  6.093389448229  0.106147446044  6.100328234977  -0.038879757472  -0.200842261265  -0.030721034442  0.001364088760  0.000895034433  -0.003818212369
  23  Al  6.112182836488  1.937570607423  3.958115663638  0.011768414233  0.321883089688  0.250230563426  -0.003422412150  -0.001573801587  -0.003627360549
  24  Al  4.030970233408  4.058542850729  0.033710458000  0.144601124029  -0.002002070351  -0.084411660696  0.002919511824  0.001054813904  -0.001995286942
  25  Al  4.013992848820  6.104601737483  2.091289220705  0.085289045093  0.104542513385  -0.157063080712  0.002756572248  -0.002616226985  -0.002922436029
  26  Al  6.114070575980  4.082664197275  2.051205322515  -0.289902958682  -0.098079863623  -0.018314269985  0.004689589124  -0.002937207444  0.004249544879
  27  Al  5.980637524499  6.068248576358  0.075949672735  -0.030203350513  -0.043862787511  -0.116862643694  -0.004091268247  -0.002731896079  0.000459616002
  28  Al  4.063500104446  4.058186337914  4.074614531930  -0.024923113639  -0.029148310758  -0.183128956179  -0.003212867879  -0.003218189638  -0.001349889663
  29  Al  4.032062707708  6.027560857934  6.066495040465  0.015542647226  0.100042440714  0.181944645051  0.002331788570  0.000432175097  0.002601582085
  30  Al  5.988765075644  3.982595598553  6.051704980541  0.241430267415  0.008137933420  0.089727933339  -0.005596994795  -0.000580990505  -0.001166775361
  31  Al  6.069176571029  6.070461157346  4.032476653049  -0.052281070918  0.093450019445  -0.243643615144  0.000047837259  0.000137504431  -0.001727096156


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)
  -76.360490710902  0.290564799045  -0.894571866568
  0.290564799045  -79.361777161626  0.235979357235
  -0.894571866568  0.235979357235  -78.120866621804
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.053786403716  8.090855533783  8.096224203936  0.138050684571  0.044750146069  -0.015936083615  -0.003346150970  0.001817044524  0.006336044708
  1  Al  8.057686863971  2.034332156430  2.001357969032  0.065299203700  -0.099021493046  0.115357618581  0.000633306428  0.000418767260  0.002598297646
  2  Al  2.084577121702  8.080709143510  2.072040530526  0.037133867892  -0.064193516335  -0.029958212091  0.009013494533  -0.001612133765  0.002055139131
  3  Al  2.042400420648  1.987997502976  0.046668828913  -0.119661556658  0.119293948755  -0.368133951824  0.002054757351  -0.002245074119  0.001139041083
  4  Al  0.005160359642  0.010130806448  4.078030522731  0.092152673066  0.033532654689  -0.186436167458  -0.002098180342  0.002830666229  -0.001860773026
  5  Al  0.107594203029  2.031478480021  6.018166151482  -0.243446828982  0.078290807256  0.162339775290  0.005608083482  -0.001490891004  0.003343933478
  6  Al  1.923899151834  8.098340060681  6.091194340636  0.169900542191  -0.099253589808  -0.037423400536  -0.003474896010  -0.000277528756  -0.001283976668
  7  Al  2.033170170633  2.047597891920  4.096103110762  -0.112343388953  -0.083157650190  -0.069001780659  0.001135987366  0.000355915886  -0.000281743785
  8  Al  8.018050862328  4.095310697408  8.075449625565  0.132937625108  -0.254222743009  -0.237232425775  -0.003083614458  0.002989827992  0.001402084759
  9  Al  8.090565462715  6.049983318545  2.012223614400  -0.080847377609  0.251618877185  0.174897253040  -0.000277784677  -0.001406161324  -0.001020651323
  10  Al  2.055254877142  4.018142069910  1.988605632024  0.010066320297  0.094953797791  0.171983329300  0.002196093994  -0.001935854162  -0.001700709155
  11  Al  2.100364582275  6.086989461804  8.058438139240  -0.039505375672  0.103709992522  0.132577620151  -0.001781404532  0.001751429966  -0.000755236538
  12  Al  8.088656174307  3.998902006805  4.195313771794  -0.026657018576  -0.100677866555  -0.251328633711  -0.005208032292  0.000996200817  -0.002052038014
  13  Al  8.068679143694  6.021727416143  5.949135103133  0.295694744020  0.128286968191  0.305887456185  0.002982995715  -0.000997776999  -0.001120133669
  14  Al  1.980470930052  4.025803049163  6.092951298537  -0.026763457989  -0.023870398982  0.048523722413  -0.000599769595  -0.002202044025  0.005083240910
  15  Al  2.116645203721  6.149752108295  4.059991400280  -0.280825200050  -0.113347947122  0.115794754885  0.001674873494  -0.001810912288  0.004725384709
  16  Al  4.040702786581  0.009805640102  0.001158726652  0.008716013107  -0.092963520124  0.101882723458  -0.001977302740  -0.005034769540  0.001838912178
  17  Al  4.056006126621  1.961561947830  2.052391717026  0.203161435646  0.076789873754  -0.048556483210  0.003041654328  -0.003247848354  -0.000168891537
  18  Al  6.078635495960  0.017557737494  2.002033355643  -0.126115968674  -0.155449365694  0.127377006263  0.001481358467  -0.000009925358  0.004344720939
  19  Al  6.063316617656  2.014312142251  8.079366574487  -0.068950787104  0.062638326566  0.132596951020  -0.009412765985  0.001005977925  -0.003200318732
  20  Al  4.040747941263  0.038988244461  4.021673823930  0.081154539952  -0.223358649438  -0.156641333815  -0.000350974614  -0.001890079410  0.000957800113
  21  Al  4.081937747679  2.026814740772  6.089272307569  -0.169988837036  0.055830836933  0.112677266360  0.001025505862  -0.003289039170  0.000101855820
  22  Al  6.094069754698  0.106585985683  6.098417755574  -0.043252541577  -0.204744550619  -0.029223686616  0.001356746192  0.000858775264  -0.003823571384
  23  Al  6.110472156457  1.936798094688  3.956313168580  0.016996111782  0.323539726535  0.252564213720  0.004459915842  -0.001553756230  0.002465605818
  24  Al  4.032436452938  4.059070168190  0.032709041358  0.138712409386  -0.002284338314  -0.080838940348  0.002944839850  0.001054430702  -0.002010060227
  25  Al  4.015374947333  6.103298297003  2.089820982028  0.082492453619  0.107244171620  -0.154865759284  0.002771571793  -0.002597293408  -0.002950322242
  26  Al  6.116402411984  4.081191209419  2.053329276313  -0.295263640566  -0.095695322835  -0.022415995330  0.004637275651  -0.002954530807  0.004245903623
  27  Al  5.978590540297  6.066880667668  0.076174257018  -0.023993651041  -0.043249471172  -0.111084867684  -0.004096113420  -0.002739683852  0.000439237658
  28  Al  4.061892556453  4.056575940176  4.073931401300  -0.013453225851  -0.028099775037  -0.182279131424  -0.003216298697  -0.003223307575  -0.001382556883
  29  Al  4.033229296743  6.027781417344  6.067803964367  0.011483273057  0.099251003257  0.178546518928  0.002334204668  0.000449991788  0.002633809736
  30  Al  5.985977370092  3.982305467063  6.051125603667  0.243908221078  0.010492620090  0.091070230926  0.002710817229  -0.003038677186  0.003876921834
  31  Al  6.069198152713  6.070534086744  4.031602214189  -0.056791262136  0.093366447064  -0.242719587142  0.000038086271  0.000154205688  -0.001770576676


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)
  -76.154880467445  0.255524458894  -0.927456818784
  0.255524458894  -79.326484116498  0.247645448840
  -0.927456818784  0.247645448840  -78.205504366642
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.052119499047  8.091766056361  8.099391513953  0.148258727566  0.040365309513  -0.022115445473  -0.003320555115  0.001824653785  0.006332642929
  1  Al  8.058006436036  2.034537113835  2.002662274299  0.063258995154  -0.096701257032  0.116392261242  0.000644799439  0.000401269787  0.002619015919
  2  Al  2.089085528839  8.079900207200  2.073066760970  0.024560455145  -0.066230108544  -0.031989770645  0.009019009961  -0.001623793543  0.002049601026
  3  Al  2.043422450495  1.986880298313  0.047221893999  -0.118551099495  0.122748209080  -0.368778478898  0.002033461311  -0.002223435724  0.001073161642
  4  Al  0.004115388662  0.011547638460  4.077091802589  0.095483405361  0.029609892698  -0.183107155346  -0.002878667913  -0.003485226425  -0.001998283960
  5  Al  0.110387362784  2.030736534090  6.019845374750  -0.248482227820  0.085537761831  0.151513930008  0.005564105378  -0.001476244848  0.003371991773
  6  Al  1.922169298322  8.098196859704  6.090550679489  0.177835700697  -0.100674141497  -0.036797191874  -0.003443808640  -0.000295402151  -0.001290611936
  7  Al  2.033733142607  2.047772132746  4.095959154514  -0.116455741064  -0.087809877202  -0.065021029108  0.001115532889  0.000340631512  -0.000293725328
  8  Al  8.016514997363  4.096794247739  8.076140063740  0.138085733748  -0.256189142973  -0.237374811857  -0.003059385164  0.002944197537  0.001359655214
  9  Al  8.090422956528  6.049291485156  2.011721106582  -0.082102936136  0.250259475677  0.179428991514  -0.000292352318  -0.001361293760  -0.000988974812
  10  Al  2.056353374100  4.017178387229  1.987762965039  0.005557108734  0.097392704790  0.166925294767  0.002197490717  -0.001918658524  -0.001670410968
  11  Al  2.099472114133  6.087869812586  8.058066447143  -0.037936508253  0.096964122907  0.134459858671  -0.001788327780  0.001769370087  -0.000731363580
  12  Al  8.086050966602  3.999395606949  4.194276518487  -0.022020529040  -0.106635977955  -0.245017460811  -0.005212384030  0.000977667108  -0.002096410998
  13  Al  8.070183859000  6.021234262024  5.948588709358  0.294521756388  0.128338380212  0.303888641121  -0.002460308088  -0.001568722426  0.003721561697
  14  Al  1.980169848937  4.024700960152  6.095495087985  -0.030638726356  -0.023452539234  0.049003833819  -0.000604901309  -0.002206274662  0.005091959804
  15  Al  2.117470087682  6.148841585539  4.062359268618  -0.283376602959  -0.108437594858  0.110464487487  0.001624434259  -0.001830739756  0.004745612122
  16  Al  4.039714524814  0.007284099896  0.002082736863  0.012222202906  -0.091754312418  0.097748607665  -0.001975430878  -0.005051283181  0.001856759076
  17  Al  4.057536035029  1.959941456133  2.052305100800  0.204838338022  0.081212855747  -0.046669486958  0.003078129214  -0.003233723024  -0.000177404671
  18  Al  6.079370537855  0.017545826284  2.004211409819  -0.128947540800  -0.158235048607  0.127554396575  0.001458555973  -0.000037968519  0.004367511623
  19  Al  6.058607152588  2.014817931124  8.077772342157  -0.059699409106  0.064797972915  0.140188868472  -0.009424267220  0.001017370638  -0.003175931876
  20  Al  4.040576081535  0.038033220705  4.022145722175  0.087129584999  -0.220202961813  -0.151189169319  -0.000335930135  -0.001929733499  0.000930280288
  21  Al  4.082442902170  2.025172716806  6.089328272113  -0.172649940760  0.056692658331  0.111635832940  -0.000534103120  0.005982824611  0.001530245264
  22  Al  6.094746194421  0.107006221307  6.096504663594  -0.047723040354  -0.208970896595  -0.028866622636  0.001348613040  0.000821789400  -0.003828764615
  23  Al  6.112702874098  1.936035678683  3.957557261018  0.011746183712  0.323733467816  0.248954194866  0.004462485383  -0.001495890472  0.002510441203
  24  Al  4.033915073258  4.059597281432  0.031700397773  0.132275401887  -0.003034093399  -0.076713064020  0.002969065965  0.001053955238  -0.002024145263
  25  Al  4.016764420613  6.102004444075  2.088338898463  0.077877309135  0.108091838577  -0.156143145263  0.002785908735  -0.002578042524  -0.002978126215
  26  Al  6.118707851632  4.079709666469  2.055451226137  -0.297858225930  -0.092360391678  -0.026537949970  0.004584250983  -0.002971342852  0.004241527175
  27  Al  5.976541411079  6.065508892506  0.076388910394  -0.022867451915  -0.044761549825  -0.106189088504  0.002204387129  0.003185932855  -0.001236440881
  28  Al  4.060283805750  4.054963030338  4.073231975047  0.000371450665  -0.027699641168  -0.178159718274  -0.003217468198  -0.003228296003  -0.001414779857
  29  Al  4.034396912375  6.028010849722  6.069128850200  0.011186384017  0.098828193739  0.178604826110  0.002336231319  0.000467699925  0.002665738809
  30  Al  5.987343681317  3.980786597487  6.053068135391  0.234857492456  0.015286863289  0.083463534885  0.002753618539  -0.003036372518  0.003892525027
  31  Al  6.069214657300  6.070615363035  4.030706076373  -0.050756250603  0.093289827676  -0.239557971186  0.000028471601  0.000170892625  -0.001813691943


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)
  -75.989065174121  0.228287321522  -0.922589043179
  0.228287321522  -79.300394809064  0.262225530148
  -0.922589043179  0.262225530148  -78.324699338064
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.050465848601  8.092680187568  0.002560599121  0.158610374497  0.038478519653  -0.026436621258  -0.003293121238  0.001831702366  0.006328302409
  1  Al  8.058331663410  2.034733426217  2.003976984951  0.064467950152  -0.103835798355  0.116609127003  0.000094451195  0.001966225069  0.003015162874
  2  Al  2.093596131663  8.079085349967  2.074090131552  0.012541506267  -0.063350966789  -0.036861801099  0.009022326849  -0.001635377998  0.002043445745
  3  Al  2.044433881959  1.985774067252  0.047741990555  -0.115602366721  0.122038116054  -0.366460287683  0.002012528159  -0.002201552003  0.001007431826
  4  Al  0.002680322780  0.009806348799  4.076084475785  0.098587446420  0.035161125639  -0.178948416935  -0.002861318118  -0.003479435942  -0.002030651468
  5  Al  0.113158308408  2.030002235173  6.021538143255  -0.254761371024  0.090290326931  0.141559449661  0.005519115763  -0.001460525944  0.003398192323
  6  Al  1.920455343194  8.098044658530  6.089903728700  0.183674995546  -0.100497863327  -0.034712435776  -0.003411489844  -0.000313386783  -0.001297004845
  7  Al  2.034285703522  2.047938523432  4.095809385434  -0.119291253824  -0.094212427981  -0.061858739403  0.001094457277  0.000324358849  -0.000305068288
  8  Al  8.014991477163  4.098254894945  8.076809280779  0.145609631632  -0.257409534206  -0.240101224500  -0.001928366090  0.000580540737  -0.000593196132
  9  Al  8.090273110397  6.048622024785  2.011234639588  -0.080860496387  0.251737896443  0.182183221534  -0.000306921131  -0.001316415556  -0.000956646940
  10  Al  2.057452367859  4.016223411386  1.986935221055  0.004200867971  0.099192779445  0.162846691138  0.002198363073  -0.001901083923  -0.001640929590
  11  Al  2.098576254495  6.088758831891  8.057706775661  -0.039552611971  0.092193037482  0.136902895476  -0.000897013351  0.008023491917  0.001164182512
  12  Al  8.083443790277  3.999879673913  4.193217360796  -0.013599740234  -0.108005487970  -0.233145852659  -0.002419085744  0.000505285775  0.001280746355
  13  Al  8.068966869972  6.020455637491  5.950463073919  0.299177763937  0.128370536490  0.296975786729  -0.002407231779  -0.001545772833  0.003775278544
  14  Al  1.979866028743  4.023596774501  6.098043258340  -0.035384833959  -0.020486699515  0.046236111137  -0.000610803768  -0.002210202798  0.005100474186
  15  Al  2.118269637980  6.147921368539  4.064737012402  -0.286465978742  -0.106663798614  0.106128395616  0.001573490742  -0.001849969666  0.004764975370
  16  Al  4.038727355703  0.004754356921  0.003015485728  0.017511774610  -0.083529063492  0.097387717707  -0.001972772682  -0.005066953389  0.001874204123
  17  Al  4.059084255836  1.958328224806  2.052214312355  0.206559170162  0.082593323279  -0.045488750694  0.003114907855  -0.003219078870  -0.000185643551
  18  Al  6.080094051933  0.017519768974  2.006400867266  -0.133216435038  -0.157264415402  0.126171498358  0.001435118702  -0.000066173944  0.004390194535
  19  Al  6.053892350436  2.015329512889  8.076190642612  -0.055239150580  0.060037053820  0.147099469687  -0.009434542644  0.001028530800  -0.003150248505
  20  Al  4.040412011128  0.037058510963  4.022604104218  0.095631554038  -0.211276393770  -0.147078136290  -0.000319591420  -0.001968307442  0.000903615405
  21  Al  4.082168133220  2.028166663252  6.090098384826  -0.172042227173  0.040948233182  0.107172403943  -0.000564918351  0.005991553636  0.001549806563
  22  Al  6.095418367738  0.107407775084  6.094588990958  -0.054288455059  -0.206981271994  -0.027309628590  0.001339493286  0.000784603576  -0.003833786732
  23  Al  6.114934641840  1.935302204216  3.958823609783  0.001373660570  0.320203619841  0.247473851859  0.004463658287  -0.001438322960  0.002554821513
  24  Al  4.035405518903  4.060124123428  0.030684896095  0.128153509206  -0.001656464230  -0.071688938650  0.001872205094  -0.003862160674  0.005884619928
  25  Al  4.018160856068  6.100720254479  2.086842855813  0.074674101655  0.111508185386  -0.157607673545  0.002799546721  -0.002558410440  -0.003006175312
  26  Al  6.120986662968  4.078219866566  2.057570803488  -0.307478858028  -0.087839306201  -0.030735355199  0.004530134284  -0.002987452576  0.004236406983
  27  Al  5.977642582477  6.067099858108  0.075765943339  -0.028400832437  -0.051836237303  -0.100718787340  0.002199803781  0.003177297082  -0.001254938296
  28  Al  4.058675088255  4.053347644173  4.072516621443  0.013466079764  -0.029356644904  -0.173215207590  -0.003216231133  -0.003233396794  -0.001446192522
  29  Al  4.035565528062  6.028249117269  6.070469703176  0.012576582193  0.095834242704  0.177596528590  0.002338355711  0.000485102607  0.002697582954
  30  Al  5.988730988632  3.979269094545  6.055018128694  0.226044733706  0.021681551150  0.074917935983  0.002794822867  -0.003033067569  0.003906684217
  31  Al  6.069226624314  6.070704979369  4.029788522246  -0.046677091149  0.093933826556  -0.234893227208  0.000019761130  0.000187630285  -0.001856107538


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)
  -75.837610684713  0.213990672286  -0.891509577801
  0.213990672286  -79.225206134853  0.258712740630
  -0.891509577801  0.258712740630  -78.431704511812
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.048826377808  8.093597758727  0.005723568618  0.167697525192  0.035032517636  -0.034840415567  -0.003263949547  0.001838274200  0.006322824286
  1  Al  8.058381770702  2.035711897329  2.005489778774  0.068052129695  -0.108064704002  0.115203372512  0.000106298395  0.001947281317  0.003035886744
  2  Al  2.098107855688  8.078264829202  2.075110206715  0.001104301009  -0.062084917615  -0.041431806457  0.009023546775  -0.001646591876  0.002036446352
  3  Al  2.045434978654  1.984678746311  0.048229325825  -0.114704476520  0.122870060687  -0.363719776345  0.001991938893  -0.002179657388  0.000942154254
  4  Al  0.001254070544  0.008068202517  4.075061151121  0.102702771089  0.036822167704  -0.174248943878  -0.002843322918  -0.003473000688  -0.002062227058
  5  Al  0.115906478547  2.029276008146  6.023243567073  -0.261066787899  0.093811914978  0.137122604666  0.005473001097  -0.001444067336  0.003423106298
  6  Al  1.918757808478  8.097883472920  6.089253674644  0.185184978955  -0.101062230048  -0.030684031136  -0.003378514028  -0.000331406111  -0.001302851242
  7  Al  2.034827599884  2.048096491595  4.095654086226  -0.122765408595  -0.098739637167  -0.060340271013  0.002323587263  0.001737293045  -0.000258801624
  8  Al  8.014033802817  4.098533659200  8.076501950274  0.151713511522  -0.252931859688  -0.237899805399  -0.001901785615  0.000534916584  -0.000635929080
  9  Al  8.090116035396  6.047975069600  2.010764459642  -0.080223675423  0.245872932221  0.185770430281  -0.000321321940  -0.001271929506  -0.000923752148
  10  Al  2.058551737173  4.015277303307  1.986122035449  -0.000497615761  0.105211443977  0.160253517916  0.002198694142  -0.001882810332  -0.001612044664
  11  Al  2.098125979832  6.092774698845  8.058294986427  -0.044043618313  0.073872377957  0.138715631999  -0.004161791700  0.002796551610  -0.001828607499
  12  Al  8.082233639502  4.000127488994  4.193847312438  -0.012030045130  -0.100448747208  -0.228924220616  -0.002421377028  0.000486650117  0.001239437623
  13  Al  8.067776627221  6.019688489191  5.952363987902  0.300653755052  0.127681993244  0.291911149325  -0.002353607272  -0.001522881921  0.003827924612
  14  Al  1.979559045170  4.022490757354  6.100595562171  -0.039875706129  -0.013956727904  0.047666458625  -0.000617532006  -0.002213282016  0.005108869009
  15  Al  2.119043578425  6.146991615873  4.067124243988  -0.291276549197  -0.109259234446  0.099742828830  0.001521840976  -0.001869273030  0.004783380110
  16  Al  4.037741752132  0.002217146507  0.003956940985  0.023816227394  -0.074254801876  0.098278053319  -0.001969077989  -0.005081059153  0.001891696502
  17  Al  4.060650942884  1.956722377263  2.052119457249  0.207349221636  0.085978206439  -0.045350599759  0.003151910968  -0.003204008696  -0.000193764523
  18  Al  6.080805656557  0.017479652339  2.008601604354  -0.137309541880  -0.159522701689  0.122681326174  0.001410933874  -0.000094494485  0.004412441799
  19  Al  6.049172609944  2.015846461924  8.074622093652  -0.048185214601  0.056726914463  0.153344354248  -0.009443788708  0.001038969415  -0.003123389043
  20  Al  4.040256490114  0.036064913263  4.023049337580  0.102881635533  -0.205863070979  -0.144110955482  -0.000301844484  -0.002005599410  0.000877583310
  21  Al  4.081877983819  2.031164270442  6.090878078675  -0.171678245667  0.028401067684  0.106994855446  -0.000874958043  0.002637919044  0.002168211265
  22  Al  6.096085687707  0.107790824883  6.092670876862  -0.055962999226  -0.207346605387  -0.021315455083  -0.002569683935  -0.002700233016  -0.001879915914
  23  Al  6.117166532385  1.934597355723  3.960112082531  -0.007752686771  0.319804883537  0.244290457565  0.004463088007  -0.001381106660  0.002598784888
  24  Al  4.036347349866  4.058192969048  0.033624001590  0.126167224604  0.009084975735  -0.076142343011  0.001894941185  -0.003861496570  0.005871403918
  25  Al  4.019563967334  6.099446033635  2.085332723151  0.071120395800  0.110961031615  -0.157505411848  0.002812580644  -0.002538521852  -0.003034346195
  26  Al  6.123237985915  4.076722213893  2.059687633120  -0.314078779285  -0.078333235273  -0.032614068770  -0.000871373906  0.002705289641  0.002392913544
  27  Al  5.978741214861  6.068686189588  0.075133972097  -0.030651776923  -0.062211279629  -0.096442722583  0.002194524521  0.003167101317  -0.001272564393
  28  Al  4.057067574617  4.051729633544  4.071785782524  0.028516364400  -0.024908903809  -0.170763624298  -0.003212477932  -0.003238248095  -0.001476943982
  29  Al  4.036735268086  6.028495952329  6.071826433154  0.015982032532  0.087356956570  0.177778969145  0.002340908830  0.000501479768  0.002729353268
  30  Al  5.990138504183  3.977753529918  6.056974819608  0.218607087679  0.033508193689  0.066931322005  0.001111272667  0.001625524552  0.001333613766
  31  Al  6.069234418430  6.070802993319  4.028849968834  -0.039446034771  0.085991018582  -0.230350880808  0.000012061784  0.000203715436  -0.001897700027


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)
  -75.680721508189  0.161583596325  -0.853212598694
  0.161583596325  -79.208488682649  0.274872704112
  -0.853212598694  0.274872704112  -78.524924981265
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.047201899054  8.094518461768  0.008883423407  0.175092732870  0.035538988752  -0.045280210615  -0.003233304344  0.001844583242  0.006315661560
  1  Al  8.058437961805  2.036680707534  2.007012871695  0.070216818363  -0.111929520421  0.113283849780  0.000118659540  0.001927613991  0.003056313338
  2  Al  2.102619678437  8.077438758091  2.076126577904  -0.008373601745  -0.054297329955  -0.044169288720  0.009022896904  -0.001656996365  0.002028793676
  3  Al  2.046425820852  1.983594409865  0.048684144809  -0.112516038602  0.121997417854  -0.361181645500  0.001971625543  -0.002157766411  0.000877348588
  4  Al  8.099833247605  0.006333348111  4.074022248727  0.104693814726  0.041034227477  -0.166762719920  -0.002824781812  -0.003466040382  -0.002092713255
  5  Al  0.118631309504  2.028558167837  6.024961249553  -0.264919506167  0.094407338487  0.131465689342  0.005425978301  -0.001427240670  0.003447117898
  6  Al  1.917076829166  8.097713252420  6.088600877458  0.189206057744  -0.099293546915  -0.027310832846  -0.003345043739  -0.000349317773  -0.001308035941
  7  Al  2.035983905946  2.048960724491  4.095521988226  -0.124515105455  -0.105723054271  -0.057486204121  0.002301480563  0.001719014227  -0.000269335226
  8  Al  8.013089691549  4.098789811529  8.076173351699  0.156417857172  -0.253495851061  -0.237589060981  -0.001874238892  0.000489642311  -0.000678437442
  9  Al  8.089951788457  6.047350095278  2.010310887440  -0.082943201684  0.244093627013  0.190000430894  -0.000335908942  -0.001228126849  -0.000890158504
  10  Al  2.059651062001  4.014340601054  1.985323176392  -0.001772272732  0.103058773337  0.159583107336  0.002198491215  -0.001864191125  -0.001583451500
  11  Al  2.096043115248  6.094176276719  8.057386883216  -0.043296825073  0.067984736142  0.140047318524  0.001524200239  0.001710136285  -0.002384985017
  12  Al  8.081022413249  4.000366324030  4.194456798419  -0.007467955507  -0.097335627936  -0.222633478556  -0.002423120135  0.000468968336  0.001199068690
  13  Al  8.066613262700  6.018932755570  5.954290998531  0.301766603470  0.129410336078  0.284967425857  -0.002299751326  -0.001499898052  0.003879497142
  14  Al  1.979248496737  4.021383492485  6.103152127349  -0.044444490198  -0.014622087967  0.044239500228  -0.000625070171  -0.002215836942  0.005117085335
  15  Al  2.119791478956  6.146052095510  4.069520392511  -0.293838835096  -0.109313712165  0.095984096928  0.001469532082  -0.001888813294  0.004800877956
  16  Al  4.036758277714  8.099669545512  0.004907182230  0.026803915834  -0.064457912172  0.100039902736  0.001951390849  -0.005688208724  -0.001141847566
  17  Al  4.062236166803  1.955124216110  2.052020547832  0.203633037870  0.087166744796  -0.043532000574  0.003188652486  -0.003188529662  -0.000201710564
  18  Al  6.081504985807  0.017425274490  2.010813309064  -0.144084998146  -0.160148433162  0.119667887948  0.001385777405  -0.000123072854  0.004434107644
  19  Al  6.044448561728  2.016368482304  8.073067253568  -0.040418826848  0.050412022498  0.160245532031  -0.009451709846  0.001048547558  -0.003095354333
  20  Al  4.040110166644  0.035052911552  4.023481687527  0.109528552201  -0.198021494433  -0.140828096561  -0.000282855166  -0.002041706400  0.000852109964
  21  Al  4.081432830842  2.032484499481  6.091966966940  -0.175947668750  0.020069328648  0.102698309848  -0.006671104661  -0.003117491498  -0.003805838058
  22  Al  6.094798344213  0.106431440057  6.091729966112  -0.051408831574  -0.204740330175  -0.020287995448  -0.002579282899  -0.002737073291  -0.001883635233
  23  Al  6.119397729847  1.933921097556  3.961422394671  -0.018046153540  0.316283375746  0.241445412622  0.004460781609  -0.001324240827  0.002642209326
  24  Al  4.037300460088  4.056262626858  0.036556300013  0.122440689183  0.015248696388  -0.079643489176  0.001917166553  -0.003859321157  0.005857476777
  25  Al  4.020973436712  6.098181732627  2.083808509618  0.069670450691  0.114324423233  -0.156260670025  0.002825167244  -0.002518381494  -0.003062396657
  26  Al  6.122788259754  4.078071357246  2.060882632055  -0.313020213256  -0.080594447945  -0.033337157733  0.000898706472  0.002194786723  0.004617627507
  27  Al  5.979837106998  6.070266959425  0.074493378946  -0.034021118129  -0.068575507015  -0.093264942889  0.002188742810  0.003155409072  -0.001289524122
  28  Al  4.055462610322  4.050109396078  4.071039677461  0.036289264144  -0.025446043260  -0.168475804376  -0.003206684356  -0.003242749791  -0.001507271743
  29  Al  4.037906436893  6.028750597037  6.073199056444  0.016795311804  0.084505358702  0.175459001257  0.002343839101  0.000516844136  0.002760932488
  30  Al  5.990703912175  3.978567789998  6.057644618296  0.212397141262  0.035878855801  0.064206299228  0.001149804135  0.001631727704  0.001345337375
  31  Al  6.069238686098  6.070908694805  4.027890822220  -0.033916604833  0.086580647902  -0.225290166516  0.000005503217  0.000219143219  -0.001938434009


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)
  -75.521731629082  0.094699180009  -0.818054327035
  0.094699180009  -79.175305759354  0.307902603480
  -0.818054327035  0.307902603480  -78.620519222626
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.045593073464  8.095442341969  0.012039230177  0.179379945506  0.030245987866  -0.056096038222  -0.003201614742  0.001850464372  0.006306598596
  1  Al  8.058500430241  2.037639511320  2.008546092111  0.071538598683  -0.108487172582  0.111164428065  0.000131332372  0.001907908898  0.003076378852
  2  Al  2.107130752593  8.076607832837  2.077139000391  -0.018090033081  -0.048184581308  -0.048645213736  0.009020531075  -0.001666158174  0.002020496126
  3  Al  2.047406604197  1.982520979900  0.049106674413  -0.111082827899  0.125446589420  -0.358783244214  0.005028700852  -0.000813873727  0.000794115757
  4  Al  8.098425536475  0.004602162135  4.072968437866  0.105477620950  0.044691471555  -0.159634555596  -0.002805992637  -0.003458376566  -0.002121892936
  5  Al  0.121332456848  2.027848767476  6.026690684971  -0.265899936986  0.097060844784  0.123881978878  0.004336685691  0.000234870361  0.000074488013
  6  Al  1.915412764739  8.097534155147  6.087945638703  0.193094938990  -0.098480895058  -0.023856624115  -0.003310866305  -0.000366998666  -0.001312610275
  7  Al  2.037129080447  2.049815505822  4.095384751000  -0.130807434003  -0.109412646812  -0.055334931476  0.002278654912  0.001699781251  -0.000279421354
  8  Al  8.012159563925  4.099023301511  8.075823512832  0.161356054824  -0.249948926058  -0.231978920863  -0.001845830133  0.000444634710  -0.000720416482
  9  Al  8.089780126455  6.046746942751  2.009874301139  -0.088634852575  0.237333109911  0.190502436057  -0.000351247896  -0.001185087645  -0.000856141821
  10  Al  2.060750228389  4.013413112182  1.984538583949  -0.007629003147  0.101792939278  0.156430930114  0.002197650748  -0.001845877529  -0.001555200072
  11  Al  2.096803280015  6.095034383755  8.056200650773  -0.052002829351  0.058116513471  0.141796586885  0.001515680519  0.001721409646  -0.002359788375
  12  Al  8.079810519367  4.000596457330  4.195046381128  -0.003696666222  -0.094721461126  -0.218718075144  -0.002424118244  0.000451798570  0.001159612179
  13  Al  8.065476875895  6.018188591139  5.956243485044  0.299785563686  0.128556220059  0.282792756959  -0.002245972995  -0.001476836028  0.003930254494
  14  Al  1.978933974999  4.020274920412  6.105712647506  -0.050251140906  -0.015199678959  0.042608994783  -0.000633535892  -0.002218502986  0.005124849528
  15  Al  2.120513110507  6.145102802579  4.071925121944  -0.295595016748  -0.113231047152  0.091652315771  0.001416837120  -0.001908708635  0.004817652516
  16  Al  4.037735171264  8.096822559904  0.004340730195  0.029002724818  -0.057763404609  0.104221422177  0.001956379922  -0.005699135222  -0.001123586751
  17  Al  4.063839595370  1.953533847601  2.051917746685  0.201850661599  0.090415429829  -0.042969345272  0.003224902437  -0.003172653943  -0.000209443722
  18  Al  6.082191433961  0.017356579486  2.013035711998  -0.151813780110  -0.166759932278  0.114948278421  0.001359324267  -0.000152298227  0.004455082160
  19  Al  6.039720900098  2.016895009482  8.071526739319  -0.032991598036  0.046249160135  0.167409041913  -0.009458272685  0.001057188999  -0.003066062250
  20  Al  4.039973634948  0.034023206863  4.023901447544  0.119597964352  -0.194658380375  -0.137826455052  -0.000262371420  -0.002076811698  0.000827198447
  21  Al  4.078089413714  2.030926650824  6.090068638488  -0.170220815793  0.022318656553  0.108738221016  -0.006702051874  -0.003113702043  -0.003786935785
  22  Al  6.093506404808  0.105053751592  6.090787241629  -0.048879246029  -0.209072192331  -0.016911092058  -0.002588248581  -0.002774067833  -0.001886960805
  23  Al  6.121627313995  1.933273114895  3.962754291857  -0.027138404548  0.314352272807  0.235852398352  0.004456742142  -0.001267862454  0.002684879406
  24  Al  4.038264516419  4.054333647890  0.039481478366  0.121174111298  0.024155542221  -0.083241992508  0.001938945541  -0.003855798447  0.005842914932
  25  Al  4.022389134578  6.096927652141  2.082270326494  0.076818873046  0.114150636386  -0.156739733627  0.002838263285  -0.002497955988  -0.003090378668
  26  Al  6.123223621099  4.079165148065  2.063189955650  -0.310989583609  -0.076339841725  -0.038963966895  0.000842920445  0.002180756911  0.004611163839
  27  Al  5.980929957671  6.071841598660  0.073844447975  -0.035703941402  -0.077317389206  -0.086824609553  0.002182509440  0.003142366352  -0.001305623998
  28  Al  4.053860890262  4.048486883753  4.070278510781  0.045652778522  -0.023044994281  -0.168358412953  -0.003199358796  -0.003247084855  -0.001537384480
  29  Al  4.039079107188  6.029012796464  6.074587365642  0.022854408478  0.081778745512  0.173382138207  0.002347383758  0.000531709815  0.002792118635
  30  Al  5.991288308318  3.979385257622  6.058320156982  0.203881494114  0.039838897005  0.063042944231  0.001187019145  0.001638496817  0.001356713365
  31  Al  6.069239921647  6.071022136539  4.026911534826  -0.030038628420  0.086119527070  -0.223541660545  -0.000000214335  0.000234582491  -0.001978559251


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)
  -75.356556827432  0.030673590299  -0.790296195779
  0.030673590299  -79.123177003750  0.329270762745
  -0.790296195779  0.329270762745  -78.700876758598
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.044000284312  8.096368926140  0.015190022002  0.187276946094  0.028547159878  -0.068550783063  -0.003168835880  0.001855720437  0.006295455260
  1  Al  8.058569294177  2.038588616431  2.010089250547  0.075600750427  -0.107396107138  0.112612944050  0.000144486524  0.001888609088  0.003096384388
  2  Al  2.111640209512  8.075772599917  2.078147074031  -0.025788941013  -0.039818217248  -0.051634345288  0.009016608326  -0.001674025561  0.002011531206
  3  Al  2.049915989260  1.982119650453  0.049487694810  -0.111246691076  0.123730188882  -0.357806619605  0.005008824753  -0.000791597503  0.000730053139
  4  Al  8.097027254968  0.002874971545  4.071900355790  0.108952066731  0.050564485221  -0.151586544832  -0.002786822778  -0.003449860752  -0.002149715879
  5  Al  0.123488914062  2.027970541242  6.026733466457  -0.263912878542  0.093600051163  0.118618380948  0.004289320807  0.000251915308  0.000096167371
  6  Al  1.913765962861  8.097346253754  6.087288267183  0.199539175898  -0.095088780805  -0.021656965356  0.003833937665  -0.005777618311  -0.003167234677
  7  Al  2.038262560858  2.050660505742  4.095242566872  -0.133945622341  -0.114538709085  -0.053153693656  0.002254986179  0.001679760161  -0.000289120159
  8  Al  8.011243861416  4.099234446239  8.075452935216  0.168920689910  -0.248773414393  -0.228337948626  -0.001816303630  0.000400049292  -0.000761568479
  9  Al  8.089600540560  6.046165007634  2.009454745618  -0.089073302439  0.232734228543  0.194961628798  -0.000367134877  -0.001143063963  -0.000821681611
  10  Al  2.061848712749  4.012494723525  1.983767976319  -0.011684024600  0.099090148018  0.156993309263  0.002195924177  -0.001827918726  -0.001527180171
  11  Al  2.097558795767  6.095897686365  8.055027094842  -0.054854062499  0.051624977866  0.141540621691  0.001506127589  0.001731220456  -0.002334458232
  12  Al  8.078598295005  4.000818122600  4.195616410598  0.003396198860  -0.092253499461  -0.215623624990  -0.002424145106  0.000435083143  0.001120782343
  13  Al  8.064367289705  6.017455919542  5.958221253025  0.301206433378  0.129397678416  0.276522118878  -0.002192244743  -0.001453775135  0.003980256841
  14  Al  1.978614960845  4.019164989499  6.108276976877  -0.053186267918  -0.016642812427  0.037596677510  -0.000642783122  -0.002221349682  0.005132019857
  15  Al  2.121208316076  6.144143386875  4.074338045028  -0.298245550968  -0.115566626106  0.088368620114  -0.002754360463  0.002296576395  -0.003739144348
  16  Al  4.038714657636  8.093970410290  0.003783595479  0.029116169686  -0.050195175634  0.105944176342  0.001961575709  -0.005708786641  -0.001104798097
  17  Al  4.065461069240  1.951951562166  2.051811104110  0.198074338665  0.090463451354  -0.039277399984  0.003260655444  -0.003156483502  -0.000216796522
  18  Al  6.082864310074  0.017272976263  2.015268391224  -0.162600484504  -0.168685580645  0.112942243045  0.001331215858  -0.000182286814  0.004475455409
  19  Al  6.034990289043  2.017425671302  8.070001191318  -0.028466341668  0.038748514755  0.172700388422  -0.000338154107  -0.000068389407  -0.000927662764
  20  Al  4.039847795224  0.032976099854  4.024308885975  0.128519811674  -0.186492039868  -0.132835498946  0.001480659333  0.002413696347  0.003780563431
  21  Al  4.074730778968  2.029370797438  6.088180031155  -0.166432717041  0.020977897456  0.110509777467  -0.006732148458  -0.003109831362  -0.003767335171
  22  Al  6.092210095632  0.103657372224  6.089843005307  -0.049704256428  -0.209963244873  -0.016281463694  -0.002597061875  -0.002811529299  -0.001889928195
  23  Al  6.123854471989  1.932653235102  3.964107274077  -0.038345142631  0.309435736721  0.232163207455  0.004450887960  -0.001212096255  0.002726719665
  24  Al  4.039239405629  4.052406828411  0.042399214945  0.117126625858  0.033501307938  -0.088833512688  -0.006085135235  0.000573537029  0.000404243705
  25  Al  4.023811699996  6.095683776639  2.080718130950  0.080210039449  0.116119063044  -0.156951979381  0.002852301556  -0.002477370043  -0.003118422481
  26  Al  6.123631180200  4.080252114157  2.065493795894  -0.310782963208  -0.076212987129  -0.041509676267  0.000787334427  0.002167118798  0.004603969553
  27  Al  5.982019616438  6.073409325777  0.073187754947  -0.042759942042  -0.083303835746  -0.083450003446  0.002175494826  0.003128006930  -0.001320846426
  28  Al  4.052263251526  4.046862311223  4.069502292981  0.051694492513  -0.024813977818  -0.166762547836  -0.003190656020  -0.003251363413  -0.001567344052
  29  Al  4.040253820650  6.029282306852  6.075991175079  0.025613290956  0.082084053246  0.172685750002  0.002351716735  0.000546359031  0.002823056855
  30  Al  5.991890931320  3.980206286815  6.059001331662  0.193318253629  0.040847784625  0.059199422088  0.001222528517  0.001645710148  0.001367641745
  31  Al  6.069238471764  6.071143277296  4.025912262969  -0.027536094809  0.088278281248  -0.219106658416  -0.000005361473  0.000250173529  -0.002018131692


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)
  -75.313808549672  0.004473671849  -0.805610937437
  0.004473671849  -79.015715673898  0.351087145482
  -0.805610937437  0.351087145482  -78.790398963163
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.042424237584  8.097298062406  0.018334685437  0.196548395092  0.019858339708  -0.076480254385  -0.003134522171  0.001860047854  0.006282489589
  1  Al  8.058644916765  2.039528120408  2.011642476500  0.080807145048  -0.104337436647  0.114437287882  0.000158469277  0.001869680261  0.003116682516
  2  Al  2.116147360918  8.074933807276  2.079150531597  -0.035693394501  -0.032996648033  -0.057813235518  0.001895576246  0.004206714692  0.000095258013
  3  Al  2.052415428950  1.981729382397  0.049836727552  -0.113792922584  0.126210908615  -0.357121159299  0.005434812340  0.000451228140  -0.000185408129
  4  Al  8.095638713698  0.001152301383  4.070818721987  0.114125115725  0.056898613281  -0.144924597679  -0.002766879838  -0.003440253629  -0.002176223762
  5  Al  0.125621777655  2.028100682784  6.026786852342  -0.258945252954  0.090971953732  0.110081614352  0.004242577666  0.000268415912  0.000116612986
  6  Al  1.915691851023  8.094453194164  6.085703681786  0.193662063228  -0.084823281484  -0.018474142044  0.003869089573  -0.005793702320  -0.003170822370
  7  Al  2.039384066626  2.051495265983  4.095095630841  -0.141759401360  -0.117597198019  -0.051254520408  0.002230338348  0.001659007378  -0.000298454179
  8  Al  8.010343260295  4.099423350803  8.075061944353  0.178815939758  -0.242130905206  -0.222986688924  -0.001785216225  0.000356162799  -0.000801916577
  9  Al  8.089412991577  6.045603878788  2.009052619527  -0.088242917890  0.226417958363  0.192942386590  -0.000382986820  -0.001102016088  -0.000787003271
  10  Al  2.062946152566  4.011585193456  1.983011403779  -0.025116654106  0.099377757498  0.153263758380  0.002192634223  -0.001810175838  -0.001499443412
  11  Al  2.098309407605  6.096765604211  8.053866192540  -0.062435914634  0.042946898085  0.143087823168  0.001495641950  0.001739675114  -0.002309012654
  12  Al  8.077386374261  4.001031540473  4.196167163471  0.011786450681  -0.091508839604  -0.214638263298  -0.002422787788  0.000418654922  0.001082317240
  13  Al  8.063284631152  6.016734816005  5.960223741885  0.304507441562  0.127355920971  0.274713526527  -0.002138094359  -0.001430821548  0.004029536911
  14  Al  1.978291191877  4.018053570730  6.110844667364  -0.058781427511  -0.015786722243  0.035154911636  -0.000652792953  -0.002224248859  0.005138523797
  15  Al  2.119817804376  6.145286509286  4.072472422899  -0.299309236828  -0.125367729344  0.095050240263  -0.002807781431  0.002275037037  -0.003722746834
  16  Al  4.039696746973  8.091113773263  0.003235932097  0.031450678802  -0.046358041461  0.108065219202  0.001966990342  -0.005717418429  -0.001085665811
  17  Al  4.067100250814  1.950377364099  2.051700950164  0.196716312161  0.089101584434  -0.037225511565  0.003295949444  -0.003140430517  -0.000223635827
  18  Al  6.083522649819  0.017174292672  2.017511167407  -0.170977265934  -0.171770335422  0.111140690109  0.001301394247  -0.000212723328  0.004495488262
  19  Al  6.034819939555  2.017393208643  8.069545079582  -0.034797830634  0.035623588756  0.176125661117  -0.000343809878  -0.000061740594  -0.000896477966
  20  Al  4.040593869680  0.034174611901  4.026193229991  0.139196057027  -0.187904330009  -0.134340922594  0.001504592939  0.002380225581  0.003756678051
  21  Al  4.071357265256  2.027816819462  6.086301303317  -0.157435055257  0.022319596771  0.113276175936  -0.006761102003  -0.003105960597  -0.003747328868
  22  Al  6.090909342932  0.102242222293  6.088897313434  -0.052942031943  -0.211284011517  -0.017246849306  -0.002606238379  -0.002849188501  -0.001892925602
  23  Al  6.126078201955  1.932061018640  3.965481011522  -0.046489323550  0.303208872243  0.230003886961  0.004443303820  -0.001157326268  0.002768037070
  24  Al  4.036202073530  4.052695094422  0.042597365972  0.125640980888  0.041379043728  -0.091020380426  0.000941496734  -0.001745367026  0.000638363327
  25  Al  4.025241436134  6.094450282098  2.079151904013  0.087385062525  0.120622808015  -0.159904400797  0.002867284438  -0.002456205490  -0.003146749214
  26  Al  6.124010955527  4.081332266863  2.067793925203  -0.306983936799  -0.070512757077  -0.047686341842  -0.000761784196  0.002508787551  -0.000825222784
  27  Al  5.983105452497  6.074969605590  0.072523601549  -0.048170880445  -0.092219307290  -0.078283204255  0.002167365675  0.003112315287  -0.001335305259
  28  Al  4.050670234242  4.045235520341  4.068711166729  0.059282008552  -0.023816627178  -0.161568935170  -0.003180734801  -0.003255710954  -0.001596696651
  29  Al  4.041430823923  6.029559155495  6.077410422497  0.026808084045  0.081818671307  0.170996150470  0.002356403169  0.000561011817  0.002853781769
  30  Al  5.992510836835  3.981030967771  6.059687798727  0.183515063234  0.041899233966  0.058677496371  0.001256217144  0.001653107672  0.001378179857
  31  Al  6.069234560173  6.071272310068  4.024893403134  -0.028373351395  0.092402421061  -0.216047421454  -0.000010359738  0.000266326254  -0.002057034154


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)
  -75.309307854964  0.003144342249  -0.833060462093
  0.003144342249  -78.935568961668  0.375147444430
  -0.833060462093  0.375147444430  -78.905450571886
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.040865762142  8.098228973994  0.021472511592  0.204200083159  0.013568592639  -0.084790886844  -0.003098695545  0.001863036197  0.006268072065
  1  Al  8.058727763454  2.040458296693  2.013205933063  0.084333617636  -0.102675250509  0.115609668240  0.000173232742  0.001851173476  0.003137248548
  2  Al  2.117093553559  8.077035689684  2.079195576373  -0.035043035272  -0.033034447494  -0.055311319910  0.001889252460  0.004200811559  0.000085144759
  3  Al  2.055127748617  1.981960638049  0.049728060300  -0.114886959280  0.128468937195  -0.357643740790  0.005414368523  0.000473996335  -0.000249307597
  4  Al  8.094260375130  8.099430965660  4.069724132029  0.117900316371  0.065862523797  -0.138360389093  -0.002746136931  -0.003429278871  -0.002201549236
  5  Al  0.127731491728  2.028238957154  6.026850079443  -0.254588240182  0.086892902669  0.103282982699  0.004196668141  0.000284316902  0.000135687627
  6  Al  1.917635052434  8.091552551434  6.084117444814  0.189065710070  -0.071130645758  -0.016397402560  -0.006749988151  0.004052122937  -0.000778142481
  7  Al  2.040492899206  2.052319513119  4.094944112693  -0.147247618822  -0.123561141325  -0.048659328066  0.002204501328  0.001637447996  -0.000307386405
  8  Al  8.009458645191  4.099590609038  8.074651018640  0.184737102366  -0.238468309082  -0.218427103488  -0.001752714845  0.000313197575  -0.000841378652
  9  Al  8.089217553740  6.045062991546  2.008667742347  -0.090218345984  0.221227033567  0.190872661517  -0.000398941129  -0.001061996948  -0.000752690482
  10  Al  2.064041346972  4.010684547687  1.982268532907  -0.034626925694  0.096456951597  0.148299556083  0.002187293190  -0.001792668356  -0.001472483869
  11  Al  2.099054437717  6.097637361479  8.052718082188  -0.067639113350  0.032793312714  0.142310148915  0.001484013336  0.001746446234  -0.002283498281
  12  Al  8.076175507217  4.001236777522  4.196698727838  0.018275303928  -0.092187646164  -0.215285933282  -0.002420100289  0.000402232589  0.001043882326
  13  Al  8.062229195346  6.016025097995  5.962250789936  0.304002912994  0.127471138037  0.272808765562  -0.002083693971  -0.001408040192  0.004078485010
  14  Al  1.977962167892  4.016940740640  6.113415500674  -0.058909179788  -0.017689443564  0.033090914568  -0.000663314409  -0.002227241604  0.005144624925
  15  Al  2.118400534645  6.146418423912  4.070615298194  -0.298688606302  -0.129082836549  0.099495871829  -0.002861242008  0.002252289340  -0.003705354551
  16  Al  4.040681647978  8.088252991861  0.002697929668  0.034506538145  -0.039843240264  0.109281818138  0.001972886870  -0.005725124762  -0.001066235143
  17  Al  4.068757018685  1.948811131650  2.051587468283  0.195297443695  0.089076622452  -0.035940321562  0.003330995192  -0.003124501513  -0.000230176800
  18  Al  6.084165704321  0.017060252935  2.019763879486  -0.177189527355  -0.172624069404  0.107366281401  0.001270268386  -0.000243511940  0.004515022628
  19  Al  6.034646479165  2.017363930708  8.069104713352  -0.039948678633  0.032756475226  0.180189212647  -0.000350492162  -0.000055627466  -0.000864623673
  20  Al  4.041352388163  0.035356325435  4.028065564026  0.143110072347  -0.187078547325  -0.137057562985  0.001529830903  0.002346702381  0.003732415222
  21  Al  4.067969676964  2.026264836841  6.084432702287  -0.151125663552  0.024845477979  0.116637562434  -0.006788687110  -0.003101744073  -0.003726774745
  22  Al  6.089603857253  0.100808183723  6.087950079705  -0.055509747373  -0.212616310078  -0.018093363543  -0.002615933890  -0.002887084885  -0.001896084992
  23  Al  6.128297775809  1.931495908834  3.966875311148  -0.054996470463  0.298217597801  0.226796354814  0.004434231063  -0.001103559174  0.002808874683
  24  Al  4.036678438004  4.051824260537  0.042912479057  0.124515286638  0.050623512846  -0.094053292794  0.003511498076  0.001158956376  0.000638470127
  25  Al  4.026678984434  6.093227571149  2.077571381737  0.093467814185  0.127573181834  -0.163364768765  0.002883452555  -0.002434016947  -0.003175649245
  26  Al  6.123616341357  4.082583508743  2.067379182248  -0.302155594602  -0.066910159119  -0.048685426837  -0.000816240832  0.002496502041  -0.000833838351
  27  Al  5.984186982113  6.076521641064  0.071852449689  -0.052771904266  -0.100917162542  -0.074612954278  0.002158341463  0.003095049026  -0.001348974065
  28  Al  4.049082516726  4.043606600269  4.067905596331  0.066471646080  -0.025952442810  -0.156111650304  -0.003169492515  -0.003260160273  -0.001625097066
  29  Al  4.042610223819  6.029843318669  6.078844956848  0.028573030766  0.080537876510  0.169811049138  0.002361354200  0.000575526375  0.002884249688
  30  Al  5.993147148464  3.981859394487  6.060379511519  0.175282790550  0.041618410841  0.060275994347  0.001288293414  0.001660574089  0.001388814213
  31  Al  6.069228112026  6.071409603550  4.023855228815  -0.028194058012  0.095781104285  -0.213333397231  -0.000015416823  0.000283149726  -0.002095420490


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)
  -75.212248756361  -0.043957650493  -0.858009951642
  -0.043957650493  -78.843280376867  0.395638402137
  -0.858009951642  0.395638402137  -79.026500487904
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.039325542039  8.099161098604  0.024602757502  0.210295635195  0.006760633987  -0.092532751638  0.004741639273  -0.001473668325  0.002849326262
  1  Al  8.058818149508  2.041379293884  2.014779725047  0.090130901570  -0.100439576986  0.116547204666  0.000188829745  0.001833015157  0.003158003205
  2  Al  2.118036613378  8.079134618836  2.079235676356  -0.036610690152  -0.031341233709  -0.053598782575  0.001882846668  0.004195056420  0.000075408274
  3  Al  2.057829797473  1.982203378732  0.049587419955  -0.115996137003  0.131821588619  -0.356086613559  -0.002492653994  -0.002264405184  0.006463596204
  4  Al  8.092892576766  8.097719270255  4.068617172751  0.120151413105  0.073837440762  -0.131018840440  -0.002724855278  -0.003416789795  -0.002225631545
  5  Al  0.129818445796  2.028384999687  6.026922539969  -0.255395102329  0.088505225113  0.095406045157  0.004151075998  0.000299997369  0.000153450283
  6  Al  1.914268509528  8.093575433388  6.083727640615  0.199791191531  -0.073296943864  -0.016181517024  -0.006715224624  0.004039211214  -0.000781055013
  7  Al  2.041588567954  2.053132713978  4.094788244436  -0.152523510752  -0.127147000785  -0.046510749128  0.002177702005  0.001615034868  -0.000315894541
  8  Al  8.008590545450  4.099736548378  8.074220565701  0.188821825318  -0.234808688853  -0.214108959162  -0.001719318946  0.000270886952  -0.000880047065
  9  Al  8.089014050449  6.044541881841  2.008299929045  -0.094982508564  0.219244872991  0.187981646605  -0.000415497952  -0.001022619076  -0.000718821180
  10  Al  2.065133445755  4.009792525101  1.981538919910  -0.037857212408  0.092611498063  0.144404565085  0.000365514303  -0.006872734751  0.002115529782
  11  Al  2.099793420941  6.098512050445  8.051582694260  -0.073473557877  0.025120983458  0.142095312068  0.001471397965  0.001751623731  -0.002258072637
  12  Al  8.074966273972  4.001433773062  4.197211045797  0.024016279148  -0.094246552718  -0.215766631252  -0.002416319452  0.000385565506  0.001005346537
  13  Al  8.061200937182  6.015326775813  5.964302226895  0.300276767443  0.130697803806  0.272281081860  -0.002029671802  -0.001384960074  0.004127215650
  14  Al  1.977627877468  4.015826329126  6.115989292288  -0.059207510500  -0.022322562452  0.029964524657  -0.000673873956  -0.002230818649  0.005150262036
  15  Al  2.116956562368  6.147538798626  4.068767068348  -0.297198023791  -0.130627853633  0.103313344931  -0.002914513844  0.002229071391  -0.003687223553
  16  Al  4.041669633843  8.085388648501  0.002169696954  0.035736102108  -0.034290984523  0.110913792183  0.001979166511  -0.005731752308  -0.001046549814
  17  Al  4.070431246006  1.947252862586  2.051470773364  0.188200240137  0.095181321920  -0.034473745433  0.003365279609  -0.003108028986  -0.000236471767
  18  Al  6.084792918206  0.016930780732  2.022026190034  -0.181465865090  -0.180795251506  0.102577042857  0.001944253497  0.001208633580  0.002220804831
  19  Al  6.034469447392  2.017337581178  8.068680455909  -0.042820698890  0.032658613947  0.182456972194  -0.000357891685  -0.000049779404  -0.000832203365
  20  Al  4.042123700583  0.036521314282  4.029925645213  0.143912586184  -0.187201792167  -0.139122110938  0.001555490522  0.002313241988  0.003707724958
  21  Al  4.064568578147  2.024715075389  6.082574528571  -0.147490776665  0.029516698650  0.119275475751  -0.006815383205  -0.003096884134  -0.003705684290
  22  Al  6.088293409042  0.099355137408  6.087001228442  -0.053608663440  -0.215665856572  -0.017973326071  -0.002625688998  -0.002925373002  -0.001899309328
  23  Al  6.130512433018  1.930957459466  3.968289886205  -0.061753755983  0.297650362289  0.226000799242  0.004423793677  -0.001050289008  0.002849354423
  24  Al  4.038439752830  4.052406001578  0.043227509972  0.119979499630  0.056288428758  -0.092754972847  0.003533355734  0.001168514227  0.000621769602
  25  Al  4.028124888689  6.092016265151  2.075976254768  0.098981259577  0.130870743514  -0.166332936274  0.002900657364  -0.002410912246  -0.003205123982
  26  Al  6.123194714694  4.083828768904  2.066960086851  -0.298447653430  -0.063527044381  -0.050433142653  -0.000869934330  0.002484841049  -0.000842699480
  27  Al  5.985263793960  6.078064654617  0.071174627484  -0.054982173283  -0.108307938374  -0.069494339558  0.005721635651  -0.002186933739  -0.007381016648
  28  Al  4.047500741727  4.041975360068  4.067086069663  0.072192760189  -0.027272199060  -0.153945094485  -0.003157096016  -0.003264918517  -0.001652815916
  29  Al  4.043792178123  6.030134681871  6.080294672185  0.032295219511  0.078867455403  0.167807754288  0.002366795778  0.000589777097  0.002914432566
  30  Al  5.993799130248  3.982691541860  6.061076612940  0.166499919097  0.043435798020  0.060693595235  0.001318848542  0.001668177875  0.001399628807
  31  Al  6.069219143350  6.071555459794  4.022797982644  -0.027467759584  0.098222010281  -0.211384643742  -0.000020392950  0.000300493465  -0.002133389977


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)
  -75.165290210021  -0.084115253209  -0.827231758407
  -0.084115253209  -78.778049674665  0.377446058700
  -0.827231758407  0.377446058700  -79.146853605172
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.041705761815  8.098424566639  0.026023284452  0.203471255184  0.002849164398  -0.094792464183  0.002733683039  0.003169663912  0.001570688000
  1  Al  8.058916593199  2.042291311850  2.016363936268  0.093753665443  -0.102031997488  0.116579579558  0.000205268893  0.001814914344  0.003178844572
  2  Al  2.118976400228  8.081230746104  2.079270984647  -0.038515728672  -0.028743963677  -0.050547895706  0.010565354557  0.002847250973  0.007340329351
  3  Al  2.056578285490  1.981077068517  0.052803301114  -0.110044201086  0.134124757583  -0.359916701649  -0.002512861838  -0.002240629772  0.006399586023
  4  Al  8.091535519852  8.096014175865  4.067498500484  0.122646067198  0.082192806336  -0.121828467412  -0.002703149358  -0.003402840803  -0.002248235912
  5  Al  0.131882567726  2.028538954523  6.027003529726  -0.260520118839  0.088194074872  0.087134175427  0.004104953548  0.000315794159  0.000169769247
  6  Al  1.910919827810  8.095591762648  6.083336389800  0.206893525067  -0.076133435029  -0.019104883472  -0.006678867303  0.004025852246  -0.000784209592
  7  Al  2.042670601211  2.053934547987  4.094628218152  -0.160075398084  -0.135681540483  -0.045361793631  0.002149755888  0.001591538186  -0.000324107880
  8  Al  8.007739326245  4.099861495990  8.073770971575  0.188725976992  -0.231961358346  -0.211933015475  -0.001685566444  0.000229158046  -0.000918134911
  9  Al  8.088802055789  6.044040372469  2.007948921167  -0.102051667931  0.218505907263  0.182569783616  -0.000433112665  -0.000983484472  -0.000685694149
  10  Al  2.065314510703  4.006360297426  1.982603139633  -0.035827601172  0.092846741637  0.137006421215  0.000358926934  -0.006856154918  0.002140687722
  11  Al  2.100525835682  6.099388985210  8.050460009550  -0.082308579768  0.019993818091  0.141399928842  0.001457471154  0.001755656962  -0.002232728367
  12  Al  8.073759187765  4.001622343028  4.197704074375  0.021990070972  -0.098447006036  -0.214458476208  -0.002412206517  0.000368338840  0.000966884722
  13  Al  8.060199523544  6.014640137920  5.966378005586  0.290013135017  0.135003733820  0.273872684919  -0.001976900310  -0.001361206548  0.004176041404
  14  Al  1.977288293936  4.014709921991  6.118565762710  -0.062663542522  -0.027144511506  0.028033218942  -0.000684769140  -0.002235240969  0.005155446992
  15  Al  2.115486020801  6.148647495303  4.066928074641  -0.293288274461  -0.126945976066  0.107909427180  -0.004807892813  -0.001647474531  -0.000132079326
  16  Al  4.042660814490  8.082521239552  0.001651379854  0.036865671073  -0.031455012484  0.113747778435  0.001985657058  -0.005737629953  -0.001026465231
  17  Al  4.072122298293  1.945703102664  2.051350996517  0.180076880253  0.099844411539  -0.031532145841  0.003398203318  -0.003090593825  -0.000242372646
  18  Al  6.085756933495  0.017527016039  2.023141177607  -0.182676111051  -0.192458817915  0.097135303117  0.001911699466  0.001175264935  0.002238658971
  19  Al  6.034288587480  2.017314151304  8.068272509988  -0.038762696232  0.032320119570  0.185944183465  -0.000365185182  -0.000043970352  -0.000799268566
  20  Al  4.042907878685  0.037669567424  4.031773288983  0.142479325061  -0.186813410765  -0.142463698084  0.001581093753  0.002279805298  0.003682551389
  21  Al  4.061154293760  2.023167952707  6.080727017997  -0.143378361891  0.032484285567  0.119353518056  -0.006841386696  -0.003091341291  -0.003684351029
  22  Al  6.086978168255  0.097882810721  6.086050770377  -0.045185611522  -0.220561592452  -0.018726093966  -0.002634521135  -0.002964371422  -0.001902590230
  23  Al  6.132721569485  1.930445619826  3.969724665571  -0.066441178845  0.298021751526  0.224810938371  0.004412333142  -0.000997036349  0.002889656668
  24  Al  4.040211793737  4.052992774764  0.043534248660  0.117260651533  0.062078384389  -0.086983250054  -0.003785933782  0.000174666385  -0.001508945282
  25  Al  4.029579641798  6.090816658903  2.074366257754  0.106967300776  0.133857497503  -0.169526190531  0.002919069017  -0.002387245732  -0.003235149546
  26  Al  6.122746407027  4.085068349792  2.066536482768  -0.292512830248  -0.061794198968  -0.051440563292  -0.000922765772  0.002473637420  -0.000851806916
  27  Al  5.988122154102  6.076966346421  0.067481012788  -0.058816366836  -0.108668577599  -0.060776728952  0.005711462144  -0.002206331284  -0.007392662788
  28  Al  4.045925420709  4.040341681752  4.066252780414  0.080651556302  -0.028985715486  -0.152720150963  -0.003143431845  -0.003269947934  -0.001680231568
  29  Al  4.044977019597  6.030433095766  6.081759389414  0.038835501008  0.077707280266  0.164633689329  0.002373154813  0.000603774766  0.002944152592
  30  Al  5.994465997006  3.983527572362  6.061779140326  0.164300037189  0.049240653306  0.059721706070  0.001348421820  0.001676463083  0.001410393849
  31  Al  6.069207719076  6.071710097014  4.021721838838  -0.021862349909  0.098561726636  -0.207739817123  -0.000024803026  0.000318085789  -0.002170859402


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)
  -75.068455255480  -0.156090974743  -0.751572240126
  -0.156090974743  -78.711111394353  0.365171462891
  -0.751572240126  0.365171462891  -79.198107212872
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.043081698427  0.000013278208  0.026804391264  0.200406171023  -0.006635694050  -0.096262913526  0.002769789390  0.003169325399  0.001553607787
  1  Al  8.059023418400  2.043194208228  2.017958569619  0.100808847193  -0.100540758188  0.115323364561  0.000222662641  0.001796804485  0.003199576528
  2  Al  2.124257355867  8.082653086746  2.082938889849  -0.050276140993  -0.021957380007  -0.058489297665  0.010557416627  0.002842718310  0.007330581504
  3  Al  2.055316935635  1.979962748959  0.055987005978  -0.104620645487  0.136861074604  -0.358399821122  -0.002532052721  -0.002216403834  0.006335369043
  4  Al  8.090189427408  8.094316429452  4.066368936839  0.128337110819  0.089632166478  -0.111044965051  -0.002680711642  -0.003387479774  -0.002269054629
  5  Al  0.133923399344  2.028700793845  6.027092309216  -0.263381806595  0.090809429399  0.079508795924  0.004058117093  0.000331796943  0.000184667009
  6  Al  1.907589642225  8.097601285634  6.082943431023  0.217909211005  -0.082883134390  -0.022080528741  -0.006640890244  0.004011636279  -0.000787891538
  7  Al  2.043738323842  2.054724252164  4.094464136556  -0.166462953430  -0.139450061302  -0.045767583198  0.002120563594  0.001566941618  -0.000332254781
  8  Al  8.006904979007  4.099965706424  8.073302430790  0.192892568940  -0.230498736895  -0.209260497307  -0.001651450020  0.000187814446  -0.000955789308
  9  Al  8.088580937783  6.043558397369  2.007614234896  -0.105314089460  0.216703569218  0.176653526934  -0.000451651015  -0.000944577058  -0.000653579843
  10  Al  2.065492372689  4.002936370183  1.983679607632  -0.035208197777  0.090169029290  0.131495111329  0.000352576385  -0.006839793440  0.002164691566
  11  Al  2.101250892095  6.100267707407  8.049349965893  -0.091543255210  0.014484037479  0.139788044973  0.001441928925  0.001758739257  -0.002207590364
  12  Al  8.072554067455  4.001802111902  4.198177930519  0.026514091294  -0.100575230192  -0.211201095879  -0.002407870280  0.000350546395  0.000928831063
  13  Al  8.059224036872  6.013965569265  5.968478268298  0.281797056337  0.136868195829  0.274951491831  -0.001925780890  -0.001336901393  0.004225105890
  14  Al  1.976943108328  4.013591088156  6.121144739281  -0.068983833735  -0.030446759687  0.024281103124  -0.000696538321  -0.002240389588  0.005160123855
  15  Al  2.113068964515  6.147818083599  4.066866858490  -0.284114532794  -0.122789022544  0.110856598972  -0.004859512208  -0.001669800660  -0.000112521801
  16  Al  4.043655290901  8.079651018548  0.001143231724  0.037484808826  -0.027912784257  0.116626506855  0.001992303937  -0.005742937391  -0.001005869936
  17  Al  4.073829449324  1.944162268761  2.051228400718  0.170786733352  0.105290368562  -0.029113203665  0.003429570273  -0.003072254924  -0.000247794296
  18  Al  6.086704617672  0.018106045667  2.024264849005  -0.189601697307  -0.202253696191  0.092399081764  0.001878418098  0.001139977920  0.002255603208
  19  Al  6.034104262211  2.017293610826  8.067881187343  -0.038640378748  0.033541206414  0.189704994803  -0.000372104961  -0.000038082397  -0.000765685800
  20  Al  4.043704794336  0.038801119581  4.033608196602  0.146866416652  -0.190422019852  -0.141743930706  0.001606961054  0.002246080722  0.003657143431
  21  Al  4.057727191450  2.021623734098  6.078890177542  -0.139257505750  0.035295101014  0.119237670306  -0.006866654139  -0.003085281862  -0.003663021149
  22  Al  6.085658887907  0.096390765986  6.085098638212  -0.041495937672  -0.228136337265  -0.019478446657  -0.002642270403  -0.003004484694  -0.001906005688
  23  Al  6.134924766160  1.929960423116  3.971179542873  -0.075285840067  0.296549838673  0.222653105389  0.004399662848  -0.000943882077  0.002929659631
  24  Al  4.038324068355  4.053082882838  0.042775887899  0.123081938094  0.067922986138  -0.078535486432  -0.003764447328  0.000186288414  -0.001523742538
  25  Al  4.031043957706  6.089629019419  2.072741105221  0.113871875881  0.135814103903  -0.169508486556  0.002938811880  -0.002363137285  -0.003265459003
  26  Al  6.122271948922  4.086302406324  2.066108279935  -0.288122591681  -0.062190892642  -0.054267231012  -0.000974674161  0.002462553242  -0.000861257117
  27  Al  5.990975256103  6.075858323333  0.063781964696  -0.065898925833  -0.108942006608  -0.055422218752  0.005700312686  -0.002225785513  -0.007403050890
  28  Al  4.044357309883  4.038705412134  4.065405838094  0.085636275324  -0.030295310282  -0.149852914612  -0.003128565832  -0.003275247615  -0.001707281383
  29  Al  4.046165332937  6.030738456637  6.083238824777  0.045981453131  0.078573111301  0.159162531330  0.003091961520  0.000649101126  0.002191765270
  30  Al  5.995147552068  3.984368004943  6.062487006789  0.157359630386  0.056565782448  0.057899613643  0.001377177963  0.001685922102  0.001420909110
  31  Al  6.069194340324  6.071873545583  4.020627123242  -0.021525855718  0.100849823603  -0.200112920860  -0.000028681900  0.000335913038  -0.002207321143


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)
  -74.964350054753  -0.227222885857  -0.670713907550
  -0.227222885857  -78.641300873087  0.354201085652
  -0.670713907550  0.354201085652  -79.238458736473
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.044475551205  0.001597644294  0.027576892240  0.195635386357  -0.015176016828  -0.097517031568  0.002805195221  0.003167375448  0.001536284000
  1  Al  8.059139255840  2.044088116335  2.019563512796  0.107028309317  -0.098654836880  0.114066105012  0.000241243134  0.001778996542  0.003220083782
  2  Al  2.129533816855  8.084073464414  2.086601566151  -0.061603571632  -0.015706588439  -0.066191196258  0.010547414662  0.002839351178  0.007319435158
  3  Al  2.054046232770  1.978860664683  0.059138670156  -0.098186559815  0.141256162242  -0.358262378054  -0.002048601796  -0.001583341389  0.001917599867
  4  Al  8.088854808210  8.092626696090  4.065229445855  0.133504620268  0.097092526681  -0.100285308332  -0.002657303180  -0.003370786721  -0.002287947404
  5  Al  0.135940684819  2.028870751466  6.027188196735  -0.265436801222  0.093822400970  0.072371905034  0.004010841090  0.000348302896  0.000198245035
  6  Al  1.904278937566  8.099603398927  6.082548498262  0.229003764232  -0.088459706850  -0.025207784990  -0.006600936546  0.003996318352  -0.000792119080
  7  Al  2.044791164805  2.055501489606  4.094295963371  -0.172978057974  -0.142247052981  -0.044945852853  0.002090217812  0.001541758099  -0.000340364497
  8  Al  8.006087876225  4.100049310436  8.072815182267  0.198295624670  -0.229649179697  -0.206174128308  -0.001616478077  0.000146677553  -0.000992928864
  9  Al  8.088350404774  6.043095795412  2.007295341324  -0.108607929138  0.214221068844  0.170996873505  -0.000470775489  -0.000906052705  -0.000622500148
  10  Al  2.065667087088  3.999520503986  1.984767831199  -0.034367421399  0.088318674051  0.125331930661  0.000346356374  -0.006823836767  0.002187651718
  11  Al  2.101967764607  6.101147724467  8.048252419186  -0.100387155399  0.007252118041  0.137931805723  0.001424770484  0.001760682454  -0.002182762409
  12  Al  8.071351317485  4.001972889423  4.198632905438  0.032128956705  -0.102577066188  -0.208381997746  -0.002402627634  0.000332384726  0.000891320636
  13  Al  8.058273742654  6.013303236527  5.970603111476  0.274133342937  0.138274405322  0.275315539076  -0.001876081113  -0.001312303843  0.004274299367
  14  Al  1.976591755615  4.012469532403  6.123725886565  -0.074725417306  -0.034569221702  0.020758949927  -0.000709385825  -0.002246201970  0.005164150403
  15  Al  2.110626508593  6.146977694643  4.066815552840  -0.275186829477  -0.120021412193  0.113517958281  -0.004909513348  -0.001691507738  -0.000092462877
  16  Al  4.044653118427  8.076778302161  0.000645509919  0.038668262186  -0.023474073446  0.119351325068  0.001999111967  -0.005747531339  -0.000984773687
  17  Al  4.075551868566  1.942630847741  2.051103202220  0.161676620853  0.111388478053  -0.027503616171  0.003459292258  -0.003052883991  -0.000252855799
  18  Al  6.087635351593  0.018666993960  2.025396780815  -0.196208921697  -0.212047150756  0.087608306681  0.001843926906  0.001102939723  0.002271695739
  19  Al  6.033916482519  2.017276068907  8.067506824187  -0.038624284813  0.034255322084  0.193362364634  -0.000379012366  -0.000032021436  -0.000731439854
  20  Al  4.044514839739  0.039915648146  4.035430432415  0.151606871391  -0.193882567338  -0.140970130866  0.001633644351  0.002211724169  0.003631868998
  21  Al  4.054287639620  2.020082670845  6.077063996849  -0.136034398652  0.038578448718  0.120053141390  -0.006891265037  -0.003078677620  -0.003641628722
  22  Al  6.084335897852  0.094878326027  6.084144764688  -0.037579448278  -0.234777032201  -0.019959511737  0.004414725559  -0.002735287860  -0.001282944031
  23  Al  6.137121232334  1.929501737749  3.972654325202  -0.083667001254  0.294722871327  0.220031654851  0.004385452579  -0.000891022722  0.002969235330
  24  Al  4.036447346410  4.053179063177  0.042010506122  0.127163077112  0.072720091798  -0.070259102735  -0.003742075603  0.000198861804  -0.001537044667
  25  Al  4.032518453678  6.088453521618  2.071100798752  0.120711520013  0.137142991394  -0.169403459682  -0.003161063544  0.000123166075  -0.002370302547
  26  Al  6.121771732865  4.087530903034  2.065675225651  -0.283358841379  -0.062814673869  -0.057118508945  -0.001025764190  0.002451377834  -0.000871214922
  27  Al  5.993822466788  6.074740560907  0.060077961897  -0.073084140904  -0.108441576847  -0.048836657474  0.005687887700  -0.002245219449  -0.007412371559
  28  Al  4.042796854877  4.037066434136  4.064545499032  0.089621896789  -0.031645228885  -0.147094215522  -0.003112897878  -0.003280785055  -0.001733828243
  29  Al  4.047713369051  6.031066519389  6.084341821920  0.051051801021  0.078857552003  0.154888312612  0.003100636223  0.000663175314  0.002219841190
  30  Al  5.995843174969  3.985213494464  6.063200049436  0.150428136476  0.062855296327  0.056087333800  0.001404693968  0.001696598260  0.001431099461
  31  Al  6.069179037176  6.072046010053  4.019514517695  -0.020621409987  0.103384977244  -0.193562625015  -0.000032449836  0.000354171482  -0.002242515454


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)
  -74.853521103857  -0.287329082212  -0.596827961857
  -0.287329082212  -78.540582291553  0.348147135101
  -0.596827961857  0.348147135101  -79.271492699776
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.045886893647  0.003180653656  0.028340675263  0.193807795043  -0.025170154108  -0.096341931248  0.002964236245  -0.001209448172  0.001575598848
  1  Al  8.059264661534  2.044973204770  2.021178653401  0.114788948849  -0.098636723990  0.110891570919  0.000261073437  0.001761358819  0.003240194836
  2  Al  2.134804770529  8.085492437924  2.090258325007  -0.075319251219  -0.009821970601  -0.075209491627  0.010535173860  0.002837068943  0.007306794038
  3  Al  2.053017542968  1.978075308088  0.060081455890  -0.093315631649  0.144422993904  -0.349800831469  -0.002065721954  -0.001557801878  0.001854299526
  4  Al  8.087532124228  8.090945642731  4.064080989435  0.140891703606  0.102570906110  -0.090825985101  -0.002632772346  -0.003352936954  -0.002305032616
  5  Al  0.137934240434  2.029049096742  6.027290554251  -0.266858025406  0.096251139232  0.065097317634  0.003963254316  0.000365295334  0.000210534684
  6  Al  1.900988705680  0.001601356243  6.082151311943  0.237664365751  -0.096390080446  -0.028486802381  -0.006559216751  0.003979792914  -0.000796919337
  7  Al  2.045828541654  2.056266010263  4.094123772059  -0.179539656066  -0.145204961759  -0.045259477909  0.002058702982  0.001516060096  -0.000348428789
  8  Al  8.005288500929  4.100112383977  8.072309501926  0.205325363642  -0.226825971670  -0.203609130135  -0.001580394651  0.000105869003  -0.001029563193
  9  Al  8.088110162294  6.042652344664  2.006991734748  -0.108715294644  0.213642037754  0.164615772799  -0.000490204029  -0.000867802051  -0.000592496619
  10  Al  2.065838729064  3.996112533415  1.985867259350  -0.033368758749  0.088515968789  0.117839559914  0.000340300809  -0.006808027878  0.002209391075
  11  Al  2.102675662579  6.102028389861  8.047167203484  -0.110865810813  0.000572565080  0.138071034872  0.001405884621  0.001761381975  -0.002158087954
  12  Al  8.070151439821  4.002134496629  4.199069251156  0.038965459073  -0.101521387437  -0.204687690110  -0.002396271844  0.000314138471  0.000854392503
  13  Al  8.057347955759  6.012653265422  5.972752567665  0.268627191616  0.139254752949  0.275325787369  0.001519131062  0.002776302738  -0.000927715358
  14  Al  1.976233722503  4.011344886187  6.126308889684  -0.081336369066  -0.035416507880  0.016448431442  -0.000723337636  -0.002252458643  0.005167476717
  15  Al  2.108159451167  6.146126575860  4.066774395613  -0.268763083752  -0.117062150807  0.115622865494  -0.004958142079  -0.001712702838  -0.000071977852
  16  Al  4.045654402867  8.073903487209  0.000158458036  0.040322446663  -0.018849388280  0.123755864561  0.002006173679  -0.005751315026  -0.000963040079
  17  Al  4.077288741582  1.941109384770  2.050975544919  0.152152154445  0.118302777264  -0.026479841513  0.003487348324  -0.003032349758  -0.000257681882
  18  Al  6.088548544578  0.019208985390  2.026536544744  -0.202630701450  -0.222915769758  0.081987512418  0.001808270931  0.001064054351  0.002286857483
  19  Al  6.033725249844  2.017261589390  8.067149747489  -0.039963785027  0.035119088425  0.196193824108  -0.000386038083  -0.000025819414  -0.000696613811
  20  Al  4.045338438688  0.041012843749  4.037240065599  0.156609075169  -0.197601422321  -0.140866517096  0.001661198635  0.002176725782  0.003606673004
  21  Al  4.050835926413  2.018545056478  6.075248548820  -0.126467231249  0.041924570135  0.120149256751  0.000823491431  -0.000883295866  0.001760224909
  22  Al  6.086541580843  0.093500187648  6.083502400490  -0.043401808590  -0.238846135397  -0.021766154946  0.004407485893  -0.002777629430  -0.001286674276
  23  Al  6.139310218738  1.929069400394  3.974148778203  -0.094107196576  0.293358615904  0.218489468750  0.004369559693  -0.000838448661  0.003008438803
  24  Al  4.034581992752  4.053281744641  0.041238843232  0.132070114759  0.078056624121  -0.059337173415  -0.003718900343  0.000212341133  -0.001548630481
  25  Al  4.030943317668  6.088521234897  2.069908075205  0.136158880927  0.133018812647  -0.172040023348  -0.003138099515  0.000147318346  -0.002400827348
  26  Al  6.121246184732  4.088753784158  2.065237065014  -0.283380443529  -0.061920908657  -0.060200100179  -0.001076430274  0.002440226563  -0.000881703121
  27  Al  5.996663143804  6.073613103883  0.056369593137  -0.081158473011  -0.107732814315  -0.039001406342  0.005674098521  -0.002264545284  -0.007420224219
  28  Al  4.041244412005  4.035424627079  4.063672009852  0.095038501643  -0.031631538636  -0.146093072819  0.003239951625  0.000593556063  -0.002006745068
  29  Al  4.049265969160  6.031401631951  6.085458665966  0.055458146839  0.077968916509  0.149261293935  0.003110158136  0.000677195487  0.002247031946
  30  Al  5.996552246036  3.986064603203  6.063918106250  0.142616250845  0.067640821290  0.053365320598  0.001430891925  0.001708264519  0.001440884450
  31  Al  6.069161890489  6.072227717065  4.018384607788  -0.021304878075  0.104927295949  -0.187109251926  -0.000036198016  0.000372794450  -0.002276547246


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)
  -74.696536870859  -0.347453748083  -0.528617003226
  -0.347453748083  -78.485845243912  0.319740486346
  -0.528617003226  0.319740486346  -79.257198057494
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.047377674908  0.002574804473  0.029124168238  0.192830965692  -0.025404108185  -0.098447162271  0.002998801472  -0.001213969475  0.001558184843
  1  Al  8.059400329277  2.045849475153  2.022803707633  0.118606209746  -0.102759195592  0.108303656121  0.000764836645  0.001963990576  0.000609817732
  2  Al  2.140068990715  8.086910533357  2.093908360189  -0.087240934923  -0.004361204843  -0.086215982795  -0.001100327355  0.001110934079  -0.006999659512
  3  Al  2.051980510815  1.977302862805  0.060992969682  -0.083704986869  0.142232649419  -0.345541529445  -0.002081547470  -0.001532175070  0.001792136419
  4  Al  8.086222035864  8.089273759136  4.062924413239  0.147158941662  0.110975003700  -0.079780299798  -0.002607020826  -0.003333846103  -0.002320284695
  5  Al  0.139903939135  2.029236046800  6.027398731419  -0.271680413284  0.094527531610  0.057351156205  0.003915109367  0.000382350810  0.000221481490
  6  Al  1.897719720816  0.003586944098  6.081751578925  0.247553261061  -0.102237140146  -0.029933138053  -0.006515838644  0.003962035784  -0.000802142038
  7  Al  2.046849867787  2.057017549702  4.093947534582  -0.182989532023  -0.150498987152  -0.040578893480  0.002026293134  0.001489624376  -0.000356102677
  8  Al  8.004507481573  4.100155179440  8.071785619074  0.211540032467  -0.227326461377  -0.204450780678  0.003895353861  0.001724660625  0.004977763742
  9  Al  8.087860200745  6.042227993361  2.006702844705  -0.108841447588  0.215092935991  0.162282567574  -0.000509653445  -0.000829473453  -0.000563272142
  10  Al  2.066007387896  3.992712476109  1.986977222273  -0.028220555547  0.090043196814  0.110412995244  0.000334794768  -0.006792064817  0.002229796689
  11  Al  2.103373649228  6.102909106442  8.046094331232  -0.116883856686  -0.000691065493  0.138325555775  0.001385523965  0.001761371381  -0.002133378298
  12  Al  8.068955045641  4.002287027895  4.199487297941  0.042041503026  -0.101269454812  -0.199066097224  -0.002389029880  0.000296009116  0.000818297205
  13  Al  8.058119528829  6.014047641428  5.972301016949  0.261004706602  0.138821407544  0.276757057433  0.001566479772  0.002801162546  -0.000878359549
  14  Al  1.975868417979  4.010217073760  6.128893363281  -0.084528661742  -0.037051009446  0.012178288335  -0.000738165850  -0.002258937187  0.005170035925
  15  Al  2.105668366514  6.145264991805  4.066743574987  -0.261497689491  -0.111269771756  0.119449114812  -0.005005547010  -0.001733115548  -0.000050962587
  16  Al  4.046659292106  8.071026987134  8.099678717583  0.036518020517  -0.007979239527  0.126042891226  0.002013043162  -0.005753713487  -0.000940708250
  17  Al  4.079039216891  1.939598497983  2.050845520339  0.144574848376  0.121541681081  -0.027076703677  0.003513875505  -0.003010907836  -0.000262469798
  18  Al  6.089443622525  0.019731048310  2.027683638298  -0.206229114224  -0.227313920898  0.079078809963  0.001771719158  0.001023804140  0.002301256697
  19  Al  6.033530444436  2.017250249493  8.066810210376  -0.039737550709  0.034807387356  0.197168639956  -0.000393163325  -0.000019568037  -0.000661447490
  20  Al  4.046176038375  0.042092373928  4.039037105419  0.162340485108  -0.197412838039  -0.137625535170  0.001689712496  0.002141411791  0.003581776015
  21  Al  4.051242019089  2.018105282558  6.076134031903  -0.127891612985  0.040336343294  0.114368188116  0.000800751933  -0.000875941800  0.001781190600
  22  Al  6.088743383745  0.092100696597  6.082858090413  -0.043878396117  -0.237565490196  -0.026020139802  0.004399683105  -0.002820220287  -0.001290946336
  23  Al  6.141490792027  1.928663289088  3.975662764005  -0.101917882493  0.289679354476  0.219310695744  0.004352035192  -0.000786325486  0.003047577823
  24  Al  4.032728446067  4.053391404311  0.040461875641  0.136936094389  0.078894321496  -0.050767566129  -0.003694851381  0.000226372435  -0.001558473765
  25  Al  4.029380354163  6.088600839963  2.068699971403  0.145222286383  0.129766804651  -0.175199929958  -0.003112944241  0.000170811191  -0.002431870350
  26  Al  6.120695302591  4.089971129597  2.064793522530  -0.282590604293  -0.065812790521  -0.061938987472  -0.001127027679  0.002428807262  -0.000892622268
  27  Al  5.999496565310  6.072476015623  0.052657737679  -0.090048725183  -0.105684576459  -0.031742882624  0.005658792721  -0.002283624646  -0.007426548707
  28  Al  4.042868636004  4.035719991192  4.062662107010  0.092388744029  -0.038052154455  -0.142506294791  0.003256707485  0.000587326391  -0.002032545644
  29  Al  4.050823527187  6.031743714877  6.086588853865  0.056974487528  0.077988201113  0.143848228710  0.003120209532  0.000691137942  0.002273235726
  30  Al  5.997274066894  3.986921758983  6.064640933886  0.138581353524  0.070251189325  0.049590020903  0.001456030789  0.001720591966  0.001450088583
  31  Al  6.069142839160  6.072418804502  4.017237970449  -0.016389975952  0.107731401028  -0.177575942750  -0.000039567908  0.000391805984  -0.002309149840


