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


MDSTEP:  1
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.325879981438  -0.001085192618  0.000140996024
  -0.001085192618  -83.328077583545  -0.004405579815
  0.000140996024  -0.004405579815  -83.310949854762
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.095571176053  8.098714749114  8.097995410308  0.011505351165  0.000502199721  -0.009620161915  -0.004423014550  -0.001281408837  -0.002002557506
  1  Al  8.097902776940  2.021999767047  2.021018832993  0.012157644237  0.006263781965  -0.000274358536  -0.002091297034  -0.002998174934  -0.003980277998
  2  Al  2.022478974033  8.095906603660  2.022763865995  0.005937959732  -0.001926512756  0.009800408295  -0.002519026205  -0.004089988541  -0.002233443642
  3  Al  2.022313309001  2.023750993401  8.099310859703  0.003717844128  -0.002228103538  -0.017313604881  -0.002685088190  -0.001248466917  -0.000688483688
  4  Al  0.000672675373  8.096842836640  4.056420305173  0.009955769309  0.001348539301  -0.016943437891  0.000674455450  -0.003153169987  0.006419151839
  5  Al  0.000577602730  2.024944118095  6.077434620586  -0.002380763478  -0.002434343007  -0.005609986645  0.000577177053  -0.000055379098  0.002436431720
  6  Al  2.023880714682  8.099289862252  6.074062265442  -0.006328048731  0.016201521090  0.002799142279  -0.001119478700  -0.000703488683  -0.000934419883
  7  Al  2.024703717190  2.025896150574  4.052450734657  -0.002243862899  -0.007460706769  0.004067277031  -0.000295745946  0.000895754674  0.002453338008
  8  Al  8.098274194240  4.053877285901  8.094485370692  -0.000485420177  -0.011124725456  0.009698867343  -0.001722140297  0.003877172944  -0.005509142909
  9  Al  0.001254808809  6.074481518777  2.024568036640  0.001964233192  0.000114998534  0.007836551410  0.001255160011  -0.000515646470  -0.000429624131
  10  Al  2.027457214141  4.045360927172  2.024318495565  -0.004124728524  0.029985336542  0.010598864107  0.002457414709  -0.004631835365  -0.000678671310
  11  Al  2.025997125605  6.076324168706  0.004502338722  -0.009864497779  0.003188868472  0.011406866444  0.000996299911  0.001327553063  0.004504378253
  12  Al  8.097686499695  4.051453427929  4.046454142241  0.014975377955  0.003460315025  0.014985669489  -0.002307070473  0.001455922756  -0.003541302215
  13  Al  0.000354044851  6.073541275761  6.071250827515  0.001364821025  0.002197749855  0.008086377122  0.000354288879  -0.001455517093  -0.003744912460
  14  Al  2.024339908677  4.048467510766  6.076654463991  -0.009656827101  -0.011677425602  -0.008018529990  -0.000660879886  -0.001532701013  0.001655844482
  15  Al  2.028973898223  6.075621565730  4.045917838728  -0.017276431728  -0.005962168783  -0.005528070967  0.003971747286  0.000623313895  -0.004081273555
  16  Al  4.054644863276  0.004966787549  8.099757918581  -0.003039503950  0.000420962375  0.012883371435  0.004646195946  0.004966862817  -0.000236025635
  17  Al  4.044414978660  2.020657085284  2.024341262857  0.019532344537  0.007146878975  -0.002214206434  -0.005579652857  -0.004340698800  -0.000658194976
  18  Al  6.078742172419  8.095828212156  2.020029093485  -0.017767881685  -0.003327024458  0.004852998502  0.003741809739  -0.004168630455  -0.004969100742
  19  Al  6.076619854732  2.029863854991  8.093992785980  -0.015573723992  -0.014327232324  -0.001896230111  0.001619884364  0.004862231366  -0.006003800807
  20  Al  4.051455252462  0.005300222171  4.050500509436  -0.007073484784  -0.016707491423  -0.002987830947  0.001455863862  0.005297234895  0.000501851344
  21  Al  4.051064071569  2.023490953600  6.075986380581  0.002512728443  0.005131478797  0.011013832924  0.001066396970  -0.001507190835  0.000991164030
  22  Al  6.075038502526  0.000329776803  6.075541288437  0.002492521488  0.017922364096  0.006896390486  0.000041762377  0.000332981296  0.000545335694
  23  Al  6.078855984816  2.025764173784  4.048556320051  -0.011695796188  -0.001402428618  0.019928295136  0.003856707817  0.000764861096  -0.001438240670
  24  Al  4.050910589785  4.049500899069  0.005414710564  0.007384821855  -0.005112720646  -0.014546805369  0.000913786308  -0.000498138950  0.005412109616
  25  Al  4.048226534497  6.079817877215  2.029565099635  0.002142666697  -0.009871646293  -0.008600810141  -0.001771206269  0.004818926371  0.004564499887
  26  Al  6.072495675770  4.053574492069  2.021668325412  -0.002176161055  0.005353307537  0.003695208834  -0.002501899132  0.003577325361  -0.003330075826
  27  Al  6.073065028720  6.077181277304  0.004386629597  0.003424887796  -0.008063434263  -0.006457313890  -0.001931544723  0.002182649766  0.004385475039
  28  Al  4.051029816715  4.052016775669  4.053683266216  -0.003178576457  -0.001894428844  -0.018121126465  0.001031124519  0.002018313076  0.003681902313
  29  Al  4.045731217811  6.076377887440  6.081385086003  0.023836580672  -0.003299888920  -0.016330277900  -0.004262644115  0.001380111616  0.006384980365
  30  Al  6.076150649866  4.045609240954  6.075876506026  -0.000592838012  0.002735560544  0.006812180852  0.001153358060  -0.004388393804  0.000880538226
  31  Al  6.079056132221  6.073183934060  4.049642626394  -0.009447005689  0.004846418869  -0.010899549608  0.004057257303  -0.001812385215  -0.000357446301


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)
  -83.281588307227  -0.004196979078  0.000448219795
  -0.004196979078  -83.289937843094  -0.017638168865
  0.000448219795  -0.017638168865  -83.221000795193
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.091150218643  8.097433430069  8.095991132731  0.023270858897  0.001631524585  -0.019275340738  -0.004416796614  -0.001281027330  -0.002007723981
  1  Al  8.095813653675  2.019002712069  2.017038505940  0.024420876935  0.013516089166  0.000005040428  -0.002084756847  -0.002994638321  -0.003980326152
  2  Al  2.019961009527  8.091816270662  2.020532174652  0.012101136160  -0.003165105051  0.020043864769  -0.002515800840  -0.004090898915  -0.002228107529
  3  Al  2.019628885557  2.022502128102  8.098619280367  0.006985554875  -0.003877514691  -0.033557562526  -0.002683174437  -0.001249558593  -0.000697579380
  4  Al  0.001348910900  8.093689907770  4.062836427550  0.020023431837  0.002617340578  -0.034032338976  0.000679815688  -0.003152460893  0.006410037444
  5  Al  0.001154354105  2.024888303741  6.079870049249  -0.004718019472  -0.004593350837  -0.011902018783  0.000575907801  -0.000056635639  0.002433300599
  6  Al  2.022760104535  8.098589270378  6.073128346042  -0.013304975517  0.032666919285  0.005295792238  -0.001122989057  -0.000694751076  -0.000932972520
  7  Al  2.024407570044  2.026790571285  4.054904799889  -0.004409285807  -0.013640500738  0.007410046195  -0.000296935519  0.000891981809  0.002455390137
  8  Al  8.096551967151  4.057752469760  8.088977961926  -0.000994329599  -0.022629570279  0.019666991874  -0.001722404874  0.003871137725  -0.005503892335
  9  Al  0.002510320022  6.073965892869  2.024139813673  0.003819484802  -0.000689255188  0.016688919135  0.001256194131  -0.000515749146  -0.000425239013
  10  Al  2.029913891354  4.040734453142  2.023641719317  -0.007939458539  0.059491930820  0.022709703250  0.002455257650  -0.004615836958  -0.000672715786
  11  Al  2.026991661758  6.077652291934  0.009008756507  -0.019687575122  0.005478893398  0.023353748424  0.000991016043  0.001329102846  0.004510593401
  12  Al  8.095382106798  4.052909969384  4.042915519442  0.029918580625  0.006495687998  0.029437398770  -0.002299043498  0.001457702875  -0.003533359434
  13  Al  0.000708577758  6.072086151623  6.067507360888  0.002145165923  0.003746488982  0.014989753422  0.000354916460  -0.001454454271  -0.003740786481
  14  Al  2.023677302164  4.046932721846  6.078308874772  -0.019319235970  -0.023578438438  -0.017308562908  -0.000666060764  -0.001539004711  0.001651316034
  15  Al  2.032942556507  6.076243813599  4.041835576761  -0.034438978323  -0.013084350326  -0.011481609485  0.003962500645  0.000619908405  -0.004084314862
  16  Al  4.059290515763  0.009933725634  8.099524196474  -0.005694426272  0.001165487846  0.026884465240  0.004644634332  0.004967146472  -0.000228915203
  17  Al  4.038838818158  2.016317664336  2.023682671984  0.038736532591  0.015467488065  -0.003747599085  -0.005569234465  -0.004336655384  -0.000659260938
  18  Al  6.082480805286  8.091658986834  2.015060860452  -0.035975495362  -0.006163332108  0.010652967313  0.003732200501  -0.004170327317  -0.004966328297
  19  Al  6.078236954537  2.034723524668  8.087988646130  -0.030937795714  -0.028408358949  -0.002840732310  0.001611568172  0.004854590304  -0.006004647769
  20  Al  4.052909851595  0.010594469790  4.051001826560  -0.014257597432  -0.033513350479  -0.007168225061  0.001452049895  0.005288255481  0.000500035456
  21  Al  4.052130917811  2.021984680265  6.076979513868  0.005437660603  0.011502134474  0.021331566856  0.001067818488  -0.001504216769  0.000996947341
  22  Al  6.075080710562  0.000665962592  6.076087857195  0.005484238640  0.036112588531  0.013157887077  0.000043188610  0.000342642668  0.000548921370
  23  Al  6.082710601441  2.026528784129  4.047121642532  -0.023480517490  -0.001487935686  0.039196373479  0.003850418343  0.000764344303  -0.001427669264
  24  Al  4.051825696489  4.049001845973  0.010824219233  0.014912101556  -0.010911833990  -0.028337954282  0.000917772966  -0.000501004117  0.005404441883
  25  Al  4.046455711335  6.084635038549  2.034128061709  0.004455866857  -0.020618425682  -0.016226261484  -0.001770026460  0.004813474790  0.004560060842
  26  Al  6.069993387544  4.057152774594  2.018338910284  -0.004600329365  0.010166598378  0.009184843669  -0.002503110759  0.003580100298  -0.003327772891
  27  Al  6.071134096362  6.079362485340  0.008770950078  0.006613834629  -0.016707959754  -0.012834801099  -0.001929749814  0.002178220677  0.004382025637
  28  Al  4.052060372909  4.054034750024  4.057361928498  -0.006162848886  -0.003333483121  -0.036900194578  0.001029454285  0.002017378333  0.003672064580
  29  Al  4.041472835643  6.077757409041  6.087767146538  0.047418568235  -0.007720902588  -0.033273455904  -0.004249903796  0.001378141115  0.006376111289
  30  Al  6.077303901927  4.041221336264  6.076758262260  -0.001055446456  0.005541013696  0.011417579593  0.001153063349  -0.004386913964  0.000883797681
  31  Al  6.083111700413  6.071372415378  4.049283231269  -0.018767577839  0.008523482100  -0.022540284513  0.004052212576  -0.001809994696  -0.000363425295


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)
  -83.208897939697  -0.009574014816  0.001325300472
  -0.009574014816  -83.226207427804  -0.039352150792
  0.001325300472  -0.039352150792  -83.070758550206
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.086737582826  8.096152694453  8.093979962347  0.035195825019  0.002374103526  -0.030231450905  -0.004406342855  -0.001280311130  -0.002016575724
  1  Al  8.093733263246  2.016010490405  2.013058180689  0.036220294750  0.019732404085  0.000289618703  -0.002073914293  -0.002988693538  -0.003980273467
  2  Al  2.017447372352  8.087724805831  2.018307650938  0.017726737046  -0.003896669350  0.029770885580  -0.002510467659  -0.004092161550  -0.002219200723
  3  Al  2.016946960126  2.021251876215  8.097915700944  0.010432999473  -0.005762819373  -0.052321489862  -0.002680060025  -0.001251282270  -0.000712934431
  4  Al  0.002032306748  8.090537914854  4.069240380061  0.029494085275  0.004417351584  -0.050285486021  0.000688669349  -0.003151203100  0.006394961538
  5  Al  0.001729418331  2.024830846817  6.082301221784  -0.006754379129  -0.007295295738  -0.018252491866  0.000573856552  -0.000058761312  0.002427909016
  6  Al  2.021634736568  8.097900360100  6.072196320402  -0.018791270885  0.049319001494  0.008575621987  -0.001128727819  -0.000680092111  -0.000930492331
  7  Al  2.024109846151  2.027680114192  4.057361514932  -0.006690315198  -0.020989144630  0.013579502781  -0.000298920112  0.000885790078  0.002459143038
  8  Al  8.094829384492  4.061619561351  8.083477586021  -0.001535609068  -0.033390029932  0.027868974285  -0.001722857223  0.003861121501  -0.005495392973
  9  Al  0.003767197072  6.073450020485  2.023717558615  0.004916190083  -0.000613376619  0.024333009091  0.001257756057  -0.000515982055  -0.000417904351
  10  Al  2.032367729440  4.036129253256  2.022973063993  -0.013027979506  0.088820502153  0.033520016310  0.002451508702  -0.004589318909  -0.000662661993
  11  Al  2.027979157691  6.078982374398  0.013523525525  -0.029187485408  0.007687971756  0.032740593563  0.000982277253  0.001331457063  0.004520622989
  12  Al  8.093088412699  4.054368833679  4.039387423372  0.044960706297  0.008704525285  0.045762847074  -0.002285655189  0.001460420652  -0.003519913739
  13  Al  0.001063877771  6.070632367218  6.063769254553  0.002420633807  0.005484264096  0.022898470001  0.000355732818  -0.001452803826  -0.003734012121
  14  Al  2.023007787148  4.045389501345  6.079957096060  -0.028266949049  -0.035807755832  -0.025559785938  -0.000674569106  -0.001549622877  0.001643651235
  15  Al  2.036898899512  6.076861382541  4.037749209004  -0.051664819088  -0.018965989144  -0.014399785273  0.003947105410  0.000614177851  -0.004088942418
  16  Al  4.063934131940  0.014901080493  8.099300088175  -0.008198292532  0.001191782340  0.038139844971  0.004642150333  0.004967567948  -0.000217288950
  17  Al  4.033276509729  2.011983774517  2.023022740981  0.058017298243  0.022371796357  -0.005785527285  -0.005551935020  -0.004329889774  -0.000660965447
  18  Al  6.086206573420  8.087487557522  2.010096436890  -0.053661210912  -0.009047950035  0.017149889949  0.003716173587  -0.004173047072  -0.004961357187
  19  Al  6.079842991075  2.039573035598  8.081983490442  -0.046114091289  -0.043136076415  -0.005446096057  0.001597791405  0.004841798262  -0.006006129442
  20  Al  4.054359352252  0.015876733133  4.051500580347  -0.021032637646  -0.050248518255  -0.008609741348  0.001445740052  0.005273278979  0.000497214378
  21  Al  4.053199708545  2.020482520061  6.077980275263  0.007961008185  0.017072524472  0.032140086561  0.001070214151  -0.001499107661  0.001006507996
  22  Al  6.075124879747  0.001015062139  6.076639131176  0.007254633205  0.054229498219  0.019169100519  0.000045466302  0.000358795703  0.000554701389
  23  Al  6.086556821501  2.027292862391  4.045700981523  -0.035004590244  -0.003261929707  0.060368675975  0.003839961289  0.000763495034  -0.001409867177
  24  Al  4.052746135717  4.048498890836  0.016223594331  0.022261367400  -0.016537845797  -0.045606658138  0.000924419529  -0.000505912080  0.005391220693
  25  Al  4.044686481577  6.089444826794  2.038685221319  0.007652443268  -0.029489875031  -0.025387018548  -0.001767861512  0.004804515498  0.004552620447
  26  Al  6.067489454253  4.060734692665  2.015012779629  -0.005789260333  0.014888331694  0.013906922474  -0.002504968402  0.003584580083  -0.003323644117
  27  Al  6.069205529093  6.081537718657  0.013150680870  0.009446072121  -0.025023823677  -0.021598079210  -0.001926878325  0.002170759094  0.004375869087
  28  Al  4.053088725286  4.056051532334  4.061027395376  -0.008988876220  -0.004876547122  -0.052029836638  0.001026745179  0.002015910391  0.003656164018
  29  Al  4.037231410218  6.079134169669  6.094137308581  0.070492173664  -0.010920110719  -0.048465129083  -0.004228821526  0.001374808128  0.006361496548
  30  Al  6.078456776563  4.036835413025  6.077644101388  -0.001795386457  0.008663327798  0.016261775150  0.001152553624  -0.004384374249  0.000888746710
  31  Al  6.087160557373  6.069563944669  4.048915775804  -0.027949314875  0.014306372518  -0.032497258803  0.004043859663  -0.001805912751  -0.000373265929


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)
  -83.107709354796  -0.016186397688  0.001736826409
  -0.016186397688  -83.137107842992  -0.069866533558
  0.001736826409  -0.069866533558  -82.860130973673
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.082337532934  8.094872807809  8.091957981283  0.047684831516  0.003074524388  -0.036346459134  -0.004391523913  -0.001279336923  -0.002028479758
  1  Al  8.091665825089  2.013025324992  2.009077959005  0.048561615376  0.027138344041  0.000073911572  -0.002058755410  -0.002980313116  -0.003980208468
  2  Al  2.014940074208  8.083631947562  2.016093773206  0.022998559029  -0.004617418483  0.038945416118  -0.002503186035  -0.004093683857  -0.002206914347
  3  Al  2.014268765507  2.019999563561  8.097193411506  0.012563188658  -0.007253293826  -0.065631371046  -0.002675948340  -0.001253609533  -0.000734024232
  4  Al  0.002726249597  8.087387501570  4.075626350626  0.039579942927  0.005194280136  -0.071015353602  0.000701019685  -0.003149484554  0.006373273122
  5  Al  0.002302067210  2.024770781117  6.084725867281  -0.008143014732  -0.009924550422  -0.024206576274  0.000571192920  -0.000061840196  0.002420317396
  6  Al  2.020502648896  8.097229086155  6.071267361379  -0.025204895501  0.065316153379  0.012104057701  -0.001136594271  -0.000659595511  -0.000926794834
  7  Al  2.023809729820  2.028562151441  4.059823085966  -0.009166306055  -0.027288355268  0.014700212641  -0.000301755253  0.000877158131  0.002464199411
  8  Al  8.093106252705  4.065474712762  8.077987175980  -0.001604965795  -0.044093009286  0.041122015678  -0.001723418753  0.003847267645  -0.005483057483
  9  Al  0.005025832137  6.072933928759  2.023304004971  0.005911152615  -0.001436197846  0.031965312053  0.001259691971  -0.000516348516  -0.000407838292
  10  Al  2.034816908758  4.031555815325  2.022316395331  -0.018687173577  0.118380317093  0.044902218428  0.002445838078  -0.004552271700  -0.000648640210
  11  Al  2.028956216263  6.080315206059  0.018050002485  -0.039006847122  0.009174180703  0.046824392376  0.000970084204  0.001334471991  0.004534849094
  12  Al  8.090810796420  4.055830810687  4.035875691965  0.060257504111  0.011161366498  0.056516128536  -0.002266842324  0.001463972644  -0.003501626405
  13  Al  0.001420043395  6.069180543971  6.060039336645  0.002545734492  0.007000337783  0.030334676874  0.000356620798  -0.001450571597  -0.003724494111
  14  Al  2.022328163953  4.043833476093  6.081596177242  -0.037573929789  -0.047392047131  -0.033926031935  -0.000686341360  -0.001564498882  0.001633015257
  15  Al  2.040836767327  6.077472169300  4.033657691925  -0.069579235611  -0.025604772769  -0.021750877035  0.003925427147  0.000606208663  -0.004095406104
  16  Al  4.068574816430  0.019868861530  8.099089618574  -0.010483490447  0.000344609133  0.054802667414  0.004638810058  0.004967842653  -0.000200670962
  17  Al  4.027734948119  2.007657884788  2.022360741090  0.076793831004  0.030234702158  -0.007777925123  -0.005527830984  -0.004320483808  -0.000663390573
  18  Al  6.089913152460  8.083312892689  2.005138146079  -0.071409093618  -0.012285956381  0.023450756074  0.003693811196  -0.004176861544  -0.004954097849
  19  Al  6.081432537347  2.044407121192  8.075976387246  -0.060677879993  -0.058150038419  -0.002375956795  0.001578697154  0.004823688450  -0.006007528014
  20  Al  4.055801331698  0.021141027749  4.051996255315  -0.028593564066  -0.067383677335  -0.015538113560  0.001436866958  0.005252246512  0.000492896776
  21  Al  4.054271346112  2.018986464942  6.078992529860  0.010484556037  0.023713433199  0.042958743766  0.001073512191  -0.001491815191  0.001019935559
  22  Al  6.075171643167  0.001383553998  6.077197259972  0.009936808805  0.071840318110  0.025788476074  0.000048540108  0.000381336805  0.000562739739
  23  Al  6.090390524020  2.028055774197  4.044301908179  -0.046400597266  -0.003847581632  0.076284584133  0.003825406159  0.000762223864  -0.001385433770
  24  Al  4.053674535546  4.047990021813  0.021606660619  0.029389288631  -0.021888293729  -0.058012997041  0.000933654592  -0.000512782618  0.005372693648
  25  Al  4.042919988311  6.094244069545  2.043233302604  0.011201252735  -0.039249391838  -0.035020159449  -0.001764490498  0.004792225016  0.004541819731
  26  Al  6.064983450739  4.064321934761  2.011691622050  -0.006326074335  0.020192183595  0.019730914023  -0.002507134607  0.003590852429  -0.003317629720
  27  Al  6.067280339712  6.083704003528  0.017522688252  0.012480805046  -0.033562779066  -0.025602808509  -0.001922957831  0.002160283893  0.004367429636
  28  Al  4.054113863267  4.058066570806  4.064674256534  -0.011978753079  -0.005491760906  -0.072221340973  0.001022996197  0.002014056553  0.003633948087
  29  Al  4.033015192592  6.080507025297  6.100490139633  0.092658585179  -0.014955772897  -0.063056689032  -0.004199650405  0.001370181558  0.006341556607
  30  Al  6.079609009175  4.032452587767  6.078535755679  -0.002068385188  0.012631427019  0.019960249364  0.001151862787  -0.004380566777  0.000895223156
  31  Al  6.091199419738  6.067760589877  4.048536699411  -0.036143449986  0.019028719999  -0.047982073318  0.004032399968  -0.001799952484  -0.000387655518


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)
  -82.979197985602  -0.024575457291  0.003035372238
  -0.024575457291  -83.022625663152  -0.108973906073
  0.003035372238  -0.108973906073  -82.589436671181
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.077954535000  8.093594020607  8.089923002830  0.059821243077  0.003937972505  -0.048225807844  -0.004372301981  -0.001278083099  -0.002043601158
  1  Al  8.089615752427  2.010049864173  2.005097763752  0.059749429295  0.033290663839  -0.000332060403  -0.002039389551  -0.002969508496  -0.003980254625
  2  Al  2.012441000282  8.079537438118  2.013893822243  0.029357241678  -0.005003589345  0.047641669828  -0.002493824893  -0.004095404079  -0.002191432701
  3  Al  2.011595063447  2.018744657150  8.096447652479  0.015612160596  -0.010604136074  -0.084116299481  -0.002670910628  -0.001256802416  -0.000760798900
  4  Al  0.003434346119  8.084238945745  4.081986926306  0.048893713362  0.005819592930  -0.086534840854  0.000716838648  -0.003147515290  0.006345103374
  5  Al  0.002871804170  2.024707166426  6.087141856575  -0.010004348692  -0.014238073652  -0.030122260797  0.000567948197  -0.000066160438  0.002410603478
  6  Al  2.019361548027  8.096581169078  6.070342730733  -0.030848705447  0.081376238704  0.016722013021  -0.001146616574  -0.000633367122  -0.000921640774
  7  Al  2.023506335645  2.029434430453  4.062289913754  -0.010927980149  -0.034439473231  0.021353913557  -0.000305348082  0.000866121284  0.002470645837
  8  Al  8.091382546986  4.069314096641  8.072511471054  -0.002884800685  -0.054537736802  0.048984753229  -0.001724221517  0.003829632610  -0.005466946523
  9  Al  0.006286581013  6.072417323454  2.022901882031  0.005885153251  -0.000904695443  0.039549138447  0.001261801133  -0.000516767064  -0.000395051611
  10  Al  2.037259405597  4.027024709855  2.021675783573  -0.023495052719  0.147603671997  0.056676587106  0.002438295957  -0.004504714146  -0.000630478066
  11  Al  2.029919326099  6.081651318381  0.022593223713  -0.047558066013  0.012213137410  0.055181453105  0.000954606522  0.001338296013  0.004553087592
  12  Al  8.088554728050  4.057296778968  4.032384170563  0.075238473448  0.013360543614  0.072851622821  -0.002242615839  0.001468357127  -0.003478495637
  13  Al  0.001777119366  6.067731224024  6.056320266330  0.001308632311  0.009690688632  0.037944288180  0.000357309953  -0.001447587266  -0.003712285931
  14  Al  2.021635104428  4.042260503581  6.083223126573  -0.045882921202  -0.058993130995  -0.042893382056  -0.000701263325  -0.001583520398  0.001619280056
  15  Al  2.044749753807  6.078073799866  4.029558396795  -0.086456270370  -0.031069327162  -0.023253102349  0.003897528223  0.000596075415  -0.004103452751
  16  Al  4.073211752055  0.024836765799  8.098898746250  -0.012525409475  -0.000753947654  0.066202011965  0.004634696099  0.004967769464  -0.000179035500
  17  Al  4.022220847762  2.003342806901  2.021695959835  0.096022263065  0.036966891877  -0.010165627253  -0.005496931715  -0.004308468260  -0.000666598854
  18  Al  6.093594195813  8.079133834433  2.000188241191  -0.089916640283  -0.015130193286  0.030142499970  0.003664966387  -0.004181763512  -0.004944515452
  19  Al  6.083000385384  2.049220412499  8.069968434415  -0.075511931030  -0.074832607980  -0.003950760253  0.001554346612  0.004799911345  -0.006008659222
  20  Al  4.057233086169  0.026381226157  4.052486373899  -0.035326955303  -0.085156288680  -0.017380004277  0.001425438061  0.005224972586  0.000487011064
  21  Al  4.055346732927  2.017498889679  6.080020146381  0.013706631030  0.029123669189  0.053883169439  0.001077837540  -0.001482367993  0.001037250753
  22  Al  6.075221959962  0.001777735748  6.077764610653  0.011784058984  0.089162665346  0.032272017315  0.000052423767  0.000410123906  0.000573120871
  23  Al  6.094207633820  2.028817310119  4.042930113982  -0.058585974759  -0.005670021127  0.097382013020  0.003806634711  0.000760522130  -0.001354382433
  24  Al  4.054613444901  4.047473325599  0.026968981626  0.037141696586  -0.027536700284  -0.075864163550  0.000945550236  -0.000521619736  0.005348756604
  25  Al  4.041157500580  6.099029276826  2.047768860781  0.015468005281  -0.047028613166  -0.044707885937  -0.001759722073  0.004776798633  0.004527564471
  26  Al  6.062475185039  4.067916397523  2.008377520189  -0.007333159094  0.024737530835  0.025744771886  -0.002509576858  0.003598885797  -0.003309498733
  27  Al  6.065359613430  6.085858286444  0.021885540143  0.014642426858  -0.040896306481  -0.035720189469  -0.001918108236  0.002146970716  0.004356465173
  28  Al  4.055134717680  4.060079645440  4.068295291549  -0.014300278885  -0.005537964813  -0.086575442279  0.001018297544  0.002012084454  0.003605555450
  29  Al  4.028832109409  6.081874532784  6.106820421795  0.115213017967  -0.017700863799  -0.077357897036  -0.004162483261  0.001364342598  0.006316450681
  30  Al  6.080760502137  4.028074279470  6.079434547699  -0.002974973227  0.017265460305  0.022528723100  0.001150961042  -0.004375221257  0.000902820123
  31  Al  6.095225357310  6.065964039701  4.048140464768  -0.045310679456  0.025484942794  -0.057860922154  0.004017836087  -0.001791993505  -0.000406580093


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)
  -82.823280351280  -0.034978361734  0.004283315515
  -0.034978361734  -82.882809192814  -0.155897073564
  0.004283315515  -0.155897073564  -82.259379991576
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.073592928971  8.092316641612  8.087870778967  0.072807334636  0.005838454267  -0.054588289200  -0.004348588183  -0.001276335088  -0.002061984170
  1  Al  8.087587045988  2.007086308000  2.001117449755  0.072377776974  0.041879560726  0.001127974473  -0.002015765396  -0.002956068168  -0.003980112317
  2  Al  2.009952424422  8.075441139404  2.011710907804  0.033776613138  -0.002858146794  0.058174046461  -0.002482536651  -0.004096809746  -0.002172513003
  3  Al  2.008926944252  2.017485958730  8.095671813705  0.016634572194  -0.010381650165  -0.096838303931  -0.002665144958  -0.001260554644  -0.000793153323
  4  Al  0.004159926892  8.081092470991  4.088316557375  0.058899954019  0.007923339429  -0.107114935728  0.000736112000  -0.003145058073  0.006310479073
  5  Al  0.003437963604  2.024638460240  6.089547074236  -0.010805778970  -0.016174720264  -0.038030393286  0.000564227376  -0.000071598202  0.002398417881
  6  Al  2.018209415749  8.095962351911  6.069424079830  -0.036612405228  0.097802480193  0.018905554923  -0.001158678523  -0.000601330225  -0.000915270617
  7  Al  2.023199033655  2.030294394009  4.064764377639  -0.013587927438  -0.039811061176  0.022834374557  -0.000309731491  0.000852845395  0.002478546639
  8  Al  8.089657809670  4.073133977981  8.067053282935  -0.002185181825  -0.066003631850  0.061574459655  -0.001725128023  0.003808079986  -0.005447178695
  9  Al  0.007549434403  6.071900394632  2.022513901749  0.006364372450  -0.002717980405  0.048133409171  0.001263991331  -0.000517414793  -0.000379374098
  10  Al  2.039693500672  4.022546387033  2.021055439199  -0.030431736026  0.174822773466  0.069260004980  0.002428653925  -0.004447064762  -0.000607960784
  11  Al  2.030865429308  6.082991798085  0.027156177670  -0.057050493599  0.011194480436  0.067213964733  0.000935902662  0.001342481261  0.004574971717
  12  Al  8.086325564742  4.058767524941  4.028918700691  0.090524675918  0.013465338356  0.083734181278  -0.002212977626  0.001473153556  -0.003450498321
  13  Al  0.002134663301  6.066285369440  6.052614764783  0.000687661113  0.010005130334  0.043909725086  0.000357666887  -0.001444065681  -0.003697650551
  14  Al  2.020925637303  4.040666435296  6.084834737354  -0.054486702440  -0.071023362885  -0.052352151992  -0.000719209269  -0.001606767160  0.001602250291
  15  Al  2.048631823773  6.078664320130  4.025450786423  -0.104594881909  -0.038446295457  -0.028175417030  0.003863368552  0.000583646122  -0.004112648096
  16  Al  4.077844208629  0.029804400458  8.098731547574  -0.014205646928  -0.001660467557  0.081750371120  0.004629916625  0.004967337770  -0.000152581827
  17  Al  4.016741084689  1.999040948268  2.021027543381  0.113809211472  0.045511193687  -0.010448810079  -0.005459414149  -0.004293721297  -0.000670284686
  18  Al  6.097243085234  8.074949365664  1.995249115174  -0.107110109199  -0.016316035196  0.039234460114  0.003629738288  -0.004187386053  -0.004932110952
  19  Al  6.084541230571  2.054006943881  8.063959068803  -0.089165696965  -0.089515441732  0.000034622882  0.001524902489  0.004770526150  -0.006009359421
  20  Al  4.058652207821  0.031590972921  4.052970277444  -0.043237992746  -0.100909817138  -0.023437595032  0.001411390762  0.005191704234  0.000479712936
  21  Al  4.056427021193  2.016021728957  6.081067031367  0.016201614196  0.037288807973  0.062666605135  0.001083185091  -0.001470493538  0.001058089685
  22  Al  6.075276490702  0.002203801811  6.078343501715  0.014076038466  0.107183293665  0.036960223699  0.000057047516  0.000445230281  0.000585499496
  23  Al  6.098003793443  2.029576818457  4.041593143313  -0.069457889112  -0.005572113035  0.113222305771  0.003783740653  0.000758512053  -0.001316726684
  24  Al  4.055565636019  4.046946782340  0.032304173827  0.043556977276  -0.033812535301  -0.090287330627  0.000959979043  -0.000532588891  0.005319048956
  25  Al  4.039400544164  6.103797666810  2.052288431546  0.019773000479  -0.057087387318  -0.053885769608  -0.001753421032  0.004758182842  0.004509936067
  26  Al  6.059964297022  4.071519706356  2.005072624584  -0.006248269795  0.028077469973  0.034152353955  -0.002512005198  0.003608329043  -0.003298789213
  27  Al  6.063444123239  6.087997944960  0.026235618597  0.017153761783  -0.050371709188  -0.041944439167  -0.001912423124  0.002130652126  0.004342578849
  28  Al  4.056150458354  4.062090739713  4.071885367435  -0.017364742231  -0.006781290886  -0.104354468334  0.001012635883  0.002009881788  0.003571417457
  29  Al  4.024690226069  6.083235710493  6.113123040996  0.135945942352  -0.022712806649  -0.091640691452  -0.004117576401  0.001357116692  0.006286233977
  30  Al  6.081910931258  4.023702145253  6.080341395925  -0.003352931105  0.021308162878  0.022772229248  0.001149829622  -0.004368324348  0.000910919868
  31  Al  6.099235091913  6.064176602867  4.047723539225  -0.052691120949  0.029855967615  -0.072562271775  0.004000313506  -0.001782098630  -0.000429899572


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)
  -82.640862057839  -0.046170923990  0.005780608411
  -0.046170923990  -82.718267130543  -0.210683318690
  0.005780608411  -0.210683318690  -81.871377050760
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.069257358635  8.091041350432  8.085799034489  0.085481682819  0.005968297709  -0.066922028357  -0.004320286334  -0.001274224057  -0.002083710040
  1  Al  8.085584221634  2.004137727836  1.997137539118  0.083559277407  0.047839459346  0.001361135437  -0.001987884075  -0.002940026537  -0.003979667268
  2  Al  2.007475926981  8.071343818625  2.009548796237  0.040614563057  -0.002162118138  0.067275545073  -0.002469235616  -0.004097707362  -0.002150082797
  3  Al  2.006264773531  2.016223547862  8.094861345833  0.019913262365  -0.013626762017  -0.114831756182  -0.002658610258  -0.001264847313  -0.000830999625
  4  Al  0.004906570120  8.077948829599  4.094607884452  0.068432529304  0.008013294965  -0.122009004708  0.000758878865  -0.003142208626  0.006269512042
  5  Al  0.004000258923  2.024563970022  6.091938692338  -0.012049643547  -0.021307203155  -0.044828217751  0.000560140860  -0.000078299916  0.002383602881
  6  Al  2.017044190980  8.095378508628  6.068512189500  -0.040495161316  0.112289245534  0.023175999606  -0.001172465245  -0.000563766127  -0.000907746495
  7  Al  2.022886872662  2.031140121243  4.067247007032  -0.014146672708  -0.047337792959  0.029813208022  -0.000314690398  0.000837263305  0.002487959951
  8  Al  8.087932290940  4.076930256613  8.061617113665  -0.002807658179  -0.075302016248  0.068511859686  -0.001726020735  0.003782814740  -0.005423919448
  9  Al  0.008814563675  6.071382493867  2.022143133835  0.005756284092  -0.001768051502  0.055644549678  0.001266158487  -0.000518216889  -0.000360818748
  10  Al  2.042116713446  4.018130580332  2.020459862004  -0.034790276556  0.203474159464  0.081626734242  0.002416992323  -0.004379425814  -0.000580982453
  11  Al  2.031791131424  6.084336280903  0.031743167147  -0.064236252515  0.013333386801  0.073077781565  0.000914216767  0.001346866809  0.004600055679
  12  Al  8.084128772798  4.060243086079  4.025483173921  0.105371096306  0.015240504093  0.100320640253  -0.002177951744  0.001478286119  -0.003417589584
  13  Al  0.002492453141  6.064843092661  6.048924965228  -0.001062976453  0.012986720603  0.051072435816  0.000357599781  -0.001439954772  -0.003680667877
  14  Al  2.020196685890  4.039046969261  6.086427627156  -0.060973357473  -0.081013780052  -0.061577425474  -0.000739853362  -0.001633951183  0.001581879847
  15  Al  2.052476490911  6.079241092110  4.021333100602  -0.120299802934  -0.043347303976  -0.027006271772  0.003823157706  0.000569021544  -0.004122514503
  16  Al  4.082471585304  0.034771441338  8.098593582596  -0.015559536904  -0.004796849160  0.091785366967  0.004624594653  0.004966183211  -0.000121553887
  17  Al  4.011302019463  1.994755364308  2.020355390463  0.132061043541  0.051804422696  -0.012067730703  -0.005415452902  -0.004276321405  -0.000674310611
  18  Al  6.100853672389  8.070759062328  1.990324019287  -0.126331230516  -0.018831830103  0.047211295075  0.003587999313  -0.004193670440  -0.004916654575
  19  Al  6.086050190362  2.058761464798  8.057949715572  -0.104450265968  -0.107438408408  -0.000425578335  0.001490284234  0.004735311085  -0.006009429324
  20  Al  4.060055867692  0.036764634625  4.053445799772  -0.050637266914  -0.119247109949  -0.024234114288  0.001394606000  0.005152340492  0.000471189303
  21  Al  4.057513103110  2.014557902604  6.082136325751  0.019348583378  0.042724148483  0.072556555906  0.001089541416  -0.001456187336  0.001082267392
  22  Al  6.075336054993  0.002668196311  6.078935609646  0.014322394029  0.122971841002  0.042817829145  0.000062125114  0.000486381688  0.000599763697
  23  Al  6.101775115125  2.030334334224  4.040296660614  -0.082340482966  -0.007604021082  0.134150500513  0.003756599322  0.000756156179  -0.001272496782
  24  Al  4.056533402987  4.046408147816  0.037607079538  0.050668663332  -0.038603534128  -0.109936620602  0.000976826452  -0.000545536780  0.005283249202
  25  Al  4.037650658516  6.108545642509  2.056788732916  0.025062492124  -0.064165932969  -0.063870007405  -0.001745404511  0.004736502922  0.004488881504
  26  Al  6.057451174643  4.075133055610  2.001779941763  -0.007122528943  0.032478650587  0.042026568698  -0.002514395878  0.003619156391  -0.003285168531
  27  Al  6.061534767183  6.090119590697  0.030570697840  0.017537367632  -0.057102662022  -0.054260208131  -0.001906220400  0.002111435863  0.004325377596
  28  Al  4.057159989446  4.064099409016  4.075438126463  -0.019710875109  -0.005316413131  -0.116484002203  0.001006006816  0.002007718736  0.003531931856
  29  Al  4.020596956607  6.084588766168  6.119392889749  0.157076285984  -0.024967165269  -0.104998109194  -0.004065184448  0.001348591582  0.006251075242
  30  Al  6.083060161381  4.019337630774  6.081256387434  -0.005599204100  0.028027240142  0.022499862165  0.001148228993  -0.004359503249  0.000919014453
  31  Al  6.103225984323  6.062399842441  4.047280665623  -0.062592332271  0.036787582844  -0.081476792741  0.003979700991  -0.001770182859  -0.000457441535


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)
  -82.432589960210  -0.059068907814  0.007805920921
  -0.059068907814  -82.527834314256  -0.273174085374
  0.007805920921  -0.273174085374  -81.426450993957
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.064952356303  8.089768193497  8.083703358887  0.098912891898  0.008867501954  -0.073374409835  -0.004287316850  -0.001271571438  -0.002108794842
  1  Al  8.083611277837  2.001206254926  1.993158115220  0.095372477965  0.057236653829  0.002243818894  -0.001955891335  -0.002921239079  -0.003979022707
  2  Al  2.005013953191  8.067245724680  2.007410742211  0.043944174401  0.002212201775  0.076503985877  -0.002454116635  -0.004097698407  -0.002124375224
  3  Al  2.003609723736  2.014956264103  8.094009814455  0.019397276915  -0.013371132801  -0.126721671148  -0.002651581590  -0.001269674498  -0.000874189030
  4  Al  0.005677684622  8.074808053739  4.100855581460  0.077918597041  0.010904271114  -0.142733905543  0.000785046236  -0.003138826192  0.006222176391
  5  Al  0.004558245323  2.024481860409  6.094314279998  -0.012354474512  -0.022933982289  -0.052237592799  0.000555777438  -0.000086210176  0.002366247654
  6  Al  2.015864485258  8.094834819657  6.067608586840  -0.046940878516  0.128748605698  0.027099573031  -0.001188098683  -0.000520668906  -0.000898757295
  7  Al  2.022569652859  2.031968920620  4.069740297542  -0.017789316756  -0.051107833814  0.031163797382  -0.000320400507  0.000819661369  0.002498862552
  8  Al  8.086205768200  4.080699607461  8.056205444039  -0.002706549802  -0.087226588541  0.080859198693  -0.001727006668  0.003753754859  -0.005397212118
  9  Al  0.010081751377  6.070863960853  2.021792264252  0.005057896764  -0.004385966629  0.063276468708  0.001268092047  -0.000519317219  -0.000339555841
  10  Al  2.044527485318  4.013787535404  2.019893474294  -0.042904726922  0.228792932564  0.094624100610  0.002403100568  -0.004302137081  -0.000549469057
  11  Al  2.032693862841  6.085685531703  0.036356289028  -0.074257203475  0.011647294720  0.083459197026  0.000889454336  0.001351333319  0.004628044266
  12  Al  8.081969661254  4.061724097179  4.022083521524  0.120641481575  0.013740041958  0.111144126088  -0.002137541020  0.001483467799  -0.003379779988
  13  Al  0.002849862864  6.063405459897  6.045253429029  -0.002936409496  0.012328931776  0.057605363834  0.000356884697  -0.001435428369  -0.003661236443
  14  Al  2.019445930580  4.037398532931  6.087998497048  -0.070267569004  -0.093213811260  -0.071506628247  -0.000763319050  -0.001665102825  0.001558084610
  15  Al  2.056278139186  6.079802363218  4.017205757417  -0.138973011890  -0.051869505730  -0.030014221639  0.003776800100  0.000551996915  -0.004132709685
  16  Al  4.087093397935  0.039736766880  8.098488439801  -0.017301480762  -0.005924199565  0.107141103858  0.004618719150  0.004964266303  -0.000085986120
  17  Al  4.005910178886  1.990488305459  2.019678922158  0.149372875986  0.061680695852  -0.012910417684  -0.005365132922  -0.004256030429  -0.000678776668
  18  Al  6.104419083859  8.066562024783  1.985415806024  -0.141981027156  -0.018257234079  0.056580225284  0.003540025467  -0.004200301912  -0.004898096801
  19  Al  6.087521799039  2.063477566051  8.051940210156  -0.116074447534  -0.122260099199  0.005681422148  0.001450854732  0.004694241322  -0.006008489586
  20  Al  4.061441419822  0.041895653905  4.053912656050  -0.058568130493  -0.134840031851  -0.030316505154  0.001375080233  0.005106910077  0.000461435731
  21  Al  4.058606104024  2.013109354284  6.083231566151  0.021773428046  0.052109271019  0.081558091331  0.001096893972  -0.001439231257  0.001109822869
  22  Al  6.075400740931  0.003176565187  6.079543029109  0.017668778181  0.140578793586  0.047842652787  0.000067845090  0.000533504162  0.000615973661
  23  Al  6.105516992087  2.031089130815  4.039048149749  -0.091920565850  -0.006250276167  0.148920617361  0.003725441697  0.000753679051  -0.001221884074
  24  Al  4.057519288923  4.045855708780  0.042870672230  0.057249094953  -0.046117859742  -0.124650907790  0.000996121992  -0.000560684844  0.005241305289
  25  Al  4.035909735143  6.113270672655  2.061266194554  0.030402455037  -0.074426960571  -0.073874647146  -0.001735487458  0.004711722713  0.004464252958
  26  Al  6.054935505267  4.078758019137  1.998502287522  -0.004243973387  0.033840225327  0.051231833403  -0.002516428192  0.003631014110  -0.003268494063
  27  Al  6.059631682439  6.092220816687  0.034886373789  0.020920670087  -0.067283779859  -0.062078593485  -0.001899344158  0.002089195747  0.004304576386
  28  Al  4.058162471987  4.066106177186  4.078949231148  -0.022561261607  -0.006399031121  -0.133437746188  0.000998448619  0.002005624032  0.003487246208
  29  Al  4.016559857173  6.085932893656  6.125625191480  0.176838624569  -0.030455696972  -0.118144192378  -0.004005480943  0.001338682054  0.006211177720
  30  Al  6.084207389244  4.014983138755  6.082179424830  -0.004711165750  0.033087728644  0.020697588892  0.001146385513  -0.004348575981  0.000926738095
  31  Al  6.107194493895  6.060636237149  4.046808656155  -0.068978530507  0.040548840374  -0.095631726169  0.003956176310  -0.001756355218  -0.000489108284


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)
  -82.197203572677  -0.072753327988  0.010675738763
  -0.072753327988  -82.313060978784  -0.342070636285
  0.010675738763  -0.342070636285  -80.927284130670
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.060682724936  8.088498207556  8.081581444806  0.111348320834  0.010047638889  -0.083917709203  -0.004249722447  -0.001268189438  -0.002136918446
  1  Al  8.081672438964  1.998295249678  1.989179493705  0.105680875610  0.061790785515  0.000662236225  -0.001919943285  -0.002899957144  -0.003978503108
  2  Al  2.002567693711  8.063148421811  2.005300045790  0.049221577524  0.005845969473  0.083177823549  -0.002437458733  -0.004096257618  -0.002095824346
  3  Al  2.000961610351  2.013684198866  8.093112967772  0.021089124064  -0.018047921895  -0.142360423221  -0.002644342680  -0.001275292180  -0.000922300521
  4  Al  0.006476662591  8.071671177215  4.107052237234  0.086363834301  0.012229096719  -0.159318312956  0.000814419698  -0.003134689979  0.006168169889
  5  Al  0.005111813799  2.024391549670  6.096671187645  -0.013736725815  -0.029726559855  -0.057357806152  0.000551112369  -0.000095625805  0.002346652154
  6  Al  2.014667993614  8.094337170816  6.066714674909  -0.050562485880  0.142937267990  0.033980456522  -0.001205532145  -0.000472091863  -0.000887836274
  7  Al  2.022246071648  2.032779443981  4.072244732136  -0.019226113483  -0.059749002030  0.036733523616  -0.000327018813  0.000799840326  0.002511002495
  8  Al  8.084478277605  4.084437766332  8.050822689430  -0.003967452943  -0.096994717011  0.089127360369  -0.001728199970  0.003720816355  -0.005366818766
  9  Al  0.011350747768  6.070343859430  2.021464022152  0.003019113312  -0.001904399271  0.067957858227  0.001269536205  -0.000520441927  -0.000316091333
  10  Al  2.046922914582  4.009526306171  2.019360923890  -0.049302272458  0.254830623120  0.104988129575  0.002386614089  -0.004215665885  -0.000513778678
  11  Al  2.033570040096  6.087038947541  0.040999255678  -0.081550766875  0.014410358703  0.088173353356  0.000861596095  0.001355992390  0.004658731919
  12  Al  8.079853690757  4.063210021677  4.018723613946  0.134918151968  0.013254044917  0.126103846518  -0.002091847326  0.001488294303  -0.003337360392
  13  Al  0.003206222535  6.061972235923  6.041602492342  -0.006383008559  0.016560761538  0.066959510524  0.000355218399  -0.001430262934  -0.003638964423
  14  Al  2.018670047789  4.035716763610  6.089543796375  -0.076397534591  -0.103129439485  -0.078987976469  -0.000789542560  -0.001700208716  0.001531176391
  15  Al  2.060030091112  6.080345085941  4.013067681232  -0.155280360154  -0.055247490272  -0.027404006702  0.003724188021  0.000532844551  -0.004142975982
  16  Al  4.091709023605  0.044699973944  8.098421610356  -0.018027780494  -0.009713351765  0.117692434787  0.004612402329  0.004961470331  -0.000045786207
  17  Al  4.000571753619  1.986243303450  2.018997837126  0.167522947838  0.066300056003  -0.016068661955  -0.005308472405  -0.004233147654  -0.000683958086
  18  Al  6.107933723323  8.062358458504  1.980527825686  -0.159634278378  -0.018475552768  0.063872235208  0.003486097085  -0.004206869681  -0.004876560074
  19  Al  6.088951899827  2.068149947443  8.045932736400  -0.129244032448  -0.142343699093  0.008667910783  0.001406992141  0.004646930544  -0.006005923946
  20  Al  4.062806028157  0.046978454778  4.054368671233  -0.065377601983  -0.152356060683  -0.031875757503  0.001352918914  0.005055559829  0.000450315844
  21  Al  4.059706891054  2.011679440089  6.084355971489  0.025025333129  0.056726726345  0.092754067296  0.001105261523  -0.001419771538  0.001140989632
  22  Al  6.075471745173  0.003735204635  6.080167556968  0.018385695463  0.155787365786  0.055168191211  0.000074291578  0.000586494005  0.000634391852
  23  Al  6.109225998520  2.031841692326  4.037852892467  -0.103581099342  -0.009798614844  0.167432130242  0.003690486281  0.000750809532  -0.001165320658
  24  Al  4.058525646970  4.045286778129  0.048089690117  0.064440398635  -0.051492821427  -0.144767385902  0.001017879898  -0.000578137493  0.005193133686
  25  Al  4.034179683600  6.117969087934  2.065717238832  0.037477637725  -0.079033455733  -0.086801383230  -0.001723350595  0.004684284211  0.004435524315
  26  Al  6.052418318259  4.082395083831  1.995242953637  -0.002627945382  0.036082433317  0.058108846008  -0.002517656881  0.003643516181  -0.003248944107
  27  Al  6.057736078867  6.094297982190  0.039179850612  0.021774461095  -0.072697547596  -0.075479079674  -0.001891710330  0.002064167287  0.004279981272
  28  Al  4.059156886685  4.068110657080  4.082412618878  -0.024296553838  -0.005396192145  -0.144626269296  0.000990070509  0.002003515063  0.003437528762
  29  Al  4.012585994722  6.087266130275  6.131815245189  0.197143030700  -0.031283290899  -0.128191176475  -0.003938613561  0.001327643211  0.006167133311
  30  Al  6.085352932407  4.010640478812  6.083109863624  -0.006369609612  0.040863488875  0.020326900914  0.001144404287  -0.004335353610  0.000934073214
  31  Al  6.111138336943  6.058887132005  4.046302449056  -0.077844879963  0.049723499581  -0.104730866191  0.003929924496  -0.001740214653  -0.000524932827


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)
  -81.936159837009  -0.087311008687  0.014415815826
  -0.087311008687  -82.073195382490  -0.418086225722
  0.014415815826  -0.418086225722  -80.375023741032
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.056452911408  8.087231814622  8.079429521994  0.125905574681  0.012249154309  -0.090286455352  -0.004207301792  -0.001264202803  -0.002168065900
  1  Al  8.079771391267  1.995406340638  1.985201109003  0.117986163865  0.072296609053  0.003092540152  -0.001879951940  -0.002875982511  -0.003977831760
  2  Al  2.000139035725  8.059053209444  2.003219093519  0.052979338865  0.011792989158  0.093595440643  -0.002419185356  -0.004093103798  -0.002064217541
  3  Al  1.998321038376  2.012405679743  8.092165213412  0.020905968625  -0.016864999710  -0.152928326534  -0.002636834018  -0.001281534560  -0.000975097725
  4  Al  0.007306524019  8.068538673780  4.113191921238  0.096502982546  0.014810581696  -0.180001793006  0.000847116022  -0.003129855324  0.006107499943
  5  Al  0.005660470062  2.024290608798  6.099007584306  -0.012564420722  -0.030969914606  -0.066606812153  0.000546409762  -0.000106478248  0.002324487459
  6  Al  2.013453420969  8.093890635931  6.065832914292  -0.054644475704  0.157041955227  0.036921049611  -0.001224342998  -0.000418456010  -0.000875159187
  7  Al  2.021915615234  2.033568601272  4.074762302532  -0.021794597763  -0.062426694038  0.037705759913  -0.000334353257  0.000777995488  0.002524312132
  8  Al  8.082749368260  4.088141240171  8.045471806508  -0.002654141010  -0.107812049495  0.101360876303  -0.001729383901  0.003684197200  -0.005332759743
  9  Al  0.012620823786  6.069823076999  2.021160081587  0.002458584685  -0.005368899604  0.076246914708  0.001270515609  -0.000521742382  -0.000290307727
  10  Al  2.049300713496  4.005356203635  2.018865916939  -0.057468390280  0.278783624276  0.119444015374  0.002367523648  -0.004120256425  -0.000473650533
  11  Al  2.034417055031  6.088397516482  0.045673752865  -0.089641112312  0.010943187470  0.095316286627  0.000830987234  0.001360525567  0.004691539602
  12  Al  8.077785966602  4.064700685784  4.015408800740  0.151148199422  0.010953884226  0.136537159893  -0.002040699074  0.001492622646  -0.003290400558
  13  Al  0.003560299661  6.060544934029  6.037975500183  -0.007968261918  0.015129484468  0.072461779072  0.000352652412  -0.001424596763  -0.003614036097
  14  Al  2.017866845460  4.033998115499  6.091060849830  -0.083438556521  -0.113105402758  -0.090339871414  -0.000818121023  -0.001738871194  0.001500900816
  15  Al  2.063726515228  6.080868052320  4.008919805454  -0.172669786029  -0.064340277996  -0.027111926834  0.003665551007  0.000511462430  -0.004152723352
  16  Al  4.096318202593  0.049659707542  8.098396867387  -0.020486911138  -0.013317536734  0.131381547164  0.004605515958  0.004957352441  -0.000001252137
  17  Al  3.995293234077  1.982022010150  2.018311005987  0.182907151011  0.076867804738  -0.014967537174  -0.005245816007  -0.004207549447  -0.000689507314
  18  Al  6.111391278028  8.058148285421  1.975662685875  -0.175333337813  -0.016746609946  0.075580551026  0.003426205357  -0.004213167353  -0.004851626117
  19  Al  6.090335783322  2.072771427139  8.039928362264  -0.140561134001  -0.157337590804  0.017059625836  0.001358751366  0.004593347961  -0.006001323900
  20  Al  4.064147257650  0.052006773563  4.054813287738  -0.074491337778  -0.168420300974  -0.036628974803  0.001327910549  0.004998205477  0.000438067296
  21  Al  4.060816627071  2.010269811209  6.085513545415  0.026139986278  0.066951489093  0.099346405270  0.001114409809  -0.001397658051  0.001175336920
  22  Al  6.075549324087  0.004349553197  6.080811812812  0.019758293349  0.170901848777  0.058391822658  0.000081111668  0.000644905566  0.000654696219
  23  Al  6.112897964649  2.032590749879  4.036717508433  -0.113667888627  -0.007786905568  0.181085803415  0.003651642475  0.000747665266  -0.001103006153
  24  Al  4.059555048719  4.044699433794  0.053256939603  0.069288960808  -0.057604249605  -0.161247275837  0.001041790515  -0.000597643892  0.005138418705
  25  Al  4.032463033953  6.122639241077  2.070137243184  0.042977407371  -0.089346048212  -0.096416488274  -0.001708965349  0.004654178198  0.004402765223
  26  Al  6.049900191505  4.086045051499  1.992004399308  0.001048515625  0.036383665889  0.069794357688  -0.002517939281  0.003656473015  -0.003226075198
  27  Al  6.055848261779  6.096349151260  0.043446336333  0.023379161950  -0.083547231985  -0.086224309263  -0.001883636927  0.002036230945  0.004251068939
  28  Al  4.060142613005  4.070113207311  4.085824288671  -0.028280223732  -0.005342632438  -0.159253597014  0.000980669857  0.002001594976  0.003383195479
  29  Al  4.008682630051  6.088588180079  6.137959458101  0.214504268619  -0.037173884477  -0.141040278375  -0.003865011616  0.001315403167  0.006118995114
  30  Al  6.086496197817  4.006312431535  6.084047571259  -0.007041650127  0.049067797235  0.014903217826  0.001142006373  -0.004319274025  0.000940372309
  31  Al  6.115054342886  6.057155807842  4.045758790501  -0.085184332227  0.053337153335  -0.117171507149  0.003900775107  -0.001721787557  -0.000564608652


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)
  -81.648269552253  -0.102689497048  0.019663685635
  -0.102689497048  -81.808349337613  -0.499345756853
  0.019663685635  -0.499345756853  -79.773763005178
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.052268121351  8.085969801949  8.077245313006  0.136911173927  0.013439014131  -0.100234097668  -0.004160310536  -0.001259609796  -0.002202130701
  1  Al  8.077912535083  1.992543284657  1.981223830185  0.126316124329  0.078812538639  0.002646924614  -0.001836271043  -0.002848964413  -0.003976805552
  2  Al  1.997729322999  8.054962214216  2.001171610708  0.058226368479  0.018108273739  0.100764320758  -0.002399301936  -0.004087757495  -0.002029466295
  3  Al  1.995687942315  2.011121129745  8.091162772323  0.022469905825  -0.019772111451  -0.166563562138  -0.002629078474  -0.001288085223  -0.001032222415
  4  Al  0.008170894635  8.065411466567  4.119267237119  0.102836609172  0.016894649236  -0.196962846234  0.000882757654  -0.003124186474  0.006040099208
  5  Al  0.006204633324  2.024178593174  6.101320162563  -0.014925871586  -0.036422184314  -0.073015857603  0.000541494538  -0.000118527858  0.002299523126
  6  Al  2.012219307618  8.093500258797  6.064964356536  -0.055987266299  0.169359009080  0.043461681982  -0.001244123794  -0.000360095987  -0.000860786870
  7  Al  2.021577365134  2.034335434957  4.077293356399  -0.022565993755  -0.069135815256  0.042224801145  -0.000342284867  0.000754472300  0.002538603601
  8  Al  8.081019509802  4.091806160732  8.040157169944  -0.005019526705  -0.117199514431  0.109943316191  -0.001730755942  0.003643965456  -0.005294978858
  9  Al  0.013891778986  6.069300374665  2.020883406699  -0.002055038997  -0.004796129762  0.080851452992  0.001270587762  -0.000523559875  -0.000262218765
  10  Al  2.051657961879  4.001285793320  2.018413622824  -0.064197415318  0.302545524331  0.130594213978  0.002345769977  -0.004016315610  -0.000428944058
  11  Al  2.035232014563  6.089759998675  0.050382334882  -0.095172371630  0.010992618697  0.096875874477  0.000797942849  0.001364447658  0.004725903284
  12  Al  8.075772292609  4.066195266969  4.012142812830  0.163785255101  0.008888222552  0.150592938468  -0.001984389426  0.001496170386  -0.003239062109
  13  Al  0.003911527359  6.059123042396  6.034374420148  -0.013639678147  0.017639112228  0.081517285882  0.000348788943  -0.001418737785  -0.003586504862
  14  Al  2.017033805743  4.032239021221  6.092545598006  -0.087791937160  -0.121189946783  -0.098682414133  -0.000848736789  -0.001780762866  0.001467103903
  15  Al  2.067361193125  6.081368010801  4.004762234528  -0.187748181778  -0.069297659976  -0.021373852835  0.003601108793  0.000487568159  -0.004161392540
  16  Al  4.100920055520  0.054614678827  8.098419106081  -0.019518478024  -0.019046143826  0.140490440426  0.004598363052  0.004951565862  0.000047358183
  17  Al  3.990080121605  1.977828204556  2.017618822499  0.201691162994  0.083244661303  -0.016857394739  -0.005177050382  -0.004178921569  -0.000695197566
  18  Al  6.114786134037  8.053932123798  1.970824573452  -0.192521731324  -0.014967839452  0.084557534425  0.003360433400  -0.004218837851  -0.004822993658
  19  Al  6.091669402559  2.077336643364  8.033930088600  -0.153228596174  -0.176722313001  0.022984236795  0.001306222185  0.004533618531  -0.005994164115
  20  Al  4.065461849255  0.056974865733  4.055244805826  -0.080108154562  -0.185704453067  -0.037028330120  0.001300268382  0.004934888481  0.000424897476
  21  Al  4.061935710671  2.008884123988  6.086706645329  0.030587333669  0.073314847190  0.108708301159  0.001124552572  -0.001372578632  0.001212536802
  22  Al  6.075633968510  0.005025015768  6.081476949405  0.018923103091  0.184094931233  0.064584258985  0.000088027846  0.000708378480  0.000676684165
  23  Al  6.116529283469  2.033337022858  4.035646880162  -0.125382114271  -0.009642344290  0.197865574912  0.003608900678  0.000744548941  -0.001035250192
  24  Al  4.060609228000  4.044091490345  0.058366527527  0.077306969148  -0.062330930393  -0.182488999637  0.001068001656  -0.000619088130  0.005076959154
  25  Al  4.030761752903  6.127277444331  2.074522769278  0.052679915916  -0.095043830406  -0.109635079201  -0.001691861957  0.004621209553  0.004365923500
  26  Al  6.047382439697  4.089708029861  1.988790803240  0.003790647626  0.036708355404  0.078574115462  -0.002517074045  0.003669541763  -0.003199547129
  27  Al  6.053968805013  6.098370444081  0.047681988490  0.022819716614  -0.090357326442  -0.102189975035  -0.001875376634  0.002005137060  0.004217380736
  28  Al  4.061118226399  4.072113847032  4.089179009836  -0.028651088136  -0.004033961502  -0.168621488529  0.000970490620  0.001999918455  0.003324571886
  29  Al  4.004855971490  6.089896936609  6.144053235416  0.234656120946  -0.038980324435  -0.150247116763  -0.003784702385  0.001301786904  0.006066913347
  30  Al  6.087636945153  4.002001930762  6.084990608241  -0.009866948357  0.059227576398  0.011455938174  0.001138983140  -0.004299910968  0.000945085288
  31  Al  6.118939887157  6.055443556891  4.045173231753  -0.094620014615  0.061373494626  -0.124792196189  0.003868626349  -0.001701277458  -0.000607871414


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)
  -81.334572436070  -0.118564878733  0.025412588189
  -0.118564878733  -81.519267058737  -0.586005221930
  0.025412588189  -0.586005221930  -79.124782240400
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.048132290336  8.084712595030  8.075025260593  0.152224664776  0.015545612667  -0.105145703889  -0.004108613464  -0.001254427386  -0.002238852314
  1  Al  8.076098849182  1.989708411812  1.977247497899  0.138455874955  0.087232638391  0.005008009763  -0.001788930190  -0.002819275774  -0.003975436861
  2  Al  1.995340431854  8.050877694454  1.999160160929  0.059967535140  0.026922276881  0.110571994212  -0.002378169036  -0.004079706097  -0.001991679666
  3  Al  1.993062881428  2.009829509298  8.090100768583  0.020299865229  -0.020907445950  -0.174332717501  -0.002621431300  -0.001295358669  -0.001093174179
  4  Al  0.009072039327  8.062290300832  4.125272119653  0.112997368533  0.020106940667  -0.218872182093  0.000921348458  -0.003117570643  0.005965748503
  5  Al  0.006743459137  2.024053553082  6.103606630559  -0.012757495018  -0.039896514401  -0.082256770783  0.000536544791  -0.000132173531  0.002271760604
  6  Al  2.010965173381  8.093170443957  6.064111340553  -0.060001105629  0.181272583543  0.047360318246  -0.001264862348  -0.000297403563  -0.000844548027
  7  Al  2.021231045500  2.035077545873  4.079839509734  -0.026292850267  -0.073564963294  0.041309043405  -0.000351020758  0.000728957607  0.002553539332
  8  Al  8.079287856376  4.095429171083  8.034881848793  -0.003354445180  -0.127445561524  0.123015011453  -0.001732253196  0.003600223269  -0.005253326244
  9  Al  0.015161999310  6.068775957249  2.020635644058  -0.003279893651  -0.005993492585  0.087802446910  0.001269633884  -0.000525489044  -0.000232063690
  10  Al  2.053992253451  3.997323572414  2.018008028824  -0.074421495735  0.323847251109  0.144801701100  0.002320985116  -0.003904317484  -0.000379703664
  11  Al  2.036012940729  6.091126411797  0.055125559433  -0.103693515022  0.008965411275  0.101117008203  0.000762385914  0.001368016125  0.004761304126
  12  Al  8.073817187751  4.067693026556  4.008930676521  0.180089061328  0.005120143297  0.159785353445  -0.001922905193  0.001498675061  -0.003183566918
  13  Al  0.004257877547  6.057707458458  6.030802490460  -0.015630416195  0.018110498626  0.087962835276  0.000343555493  -0.001412345807  -0.003556202060
  14  Al  2.016169371883  4.030436589767  6.093995057636  -0.094654509569  -0.129147274007  -0.110110385885  -0.000881357951  -0.001825522801  0.001429772051
  15  Al  2.070928732813  6.081843188638  4.000597020374  -0.205687717650  -0.076290354761  -0.018340558247  0.003530763020  0.000461537231  -0.004168493419
  16  Al  4.105514928696  0.059562839266  8.098491583753  -0.022489245800  -0.024717627066  0.153805410738  0.004590852131  0.004943740963  0.000099977857
  17  Al  3.984939133312  1.973664167013  2.016920610855  0.215682043699  0.091670379988  -0.015332582409  -0.005102424654  -0.004147647011  -0.000700953087
  18  Al  6.118112144828  8.049710609719  1.966016698560  -0.205750691313  -0.011023675219  0.096952376068  0.003289222864  -0.004223485096  -0.004790539947
  19  Al  6.092948227692  2.081838664200  8.027940034034  -0.161626139047  -0.194569322392  0.035560509480  0.001249926612  0.004467232121  -0.005983696398
  20  Al  4.066747794414  0.061876550525  4.055663082690  -0.089876490656  -0.201780706052  -0.041883609728  0.001269875372  0.004865606692  0.000410788135
  21  Al  4.063065732215  2.007524653946  6.087938619019  0.030489914237  0.081935708020  0.114319466602  0.001135473096  -0.001344820056  0.001252413846
  22  Al  6.075725379780  0.005766310156  6.082165181142  0.021031437891  0.196635262435  0.067759107938  0.000095171661  0.000776452490  0.000700346969
  23  Al  6.120115766006  2.034079847762  4.034647008050  -0.133638699959  -0.009288483198  0.208633716838  0.003562588130  0.000741164137  -0.000962568703
  24  Al  4.061691052032  4.043461257534  0.063410857910  0.081022655411  -0.067675651267  -0.199562154517  0.001096310765  -0.000642333119  0.005008648957
  25  Al  4.029079310039  6.131881660184  2.078869090184  0.059124881824  -0.102408017202  -0.120335850652  -0.001671871420  0.004585905447  0.004324805028
  26  Al  6.044866043414  4.093384135026  1.985605305050  0.010416602081  0.034954852289  0.091192294049  -0.002514533810  0.003682355042  -0.003169193139
  27  Al  6.052097508511  6.100359425381  0.051881097805  0.025260457287  -0.099077924924  -0.115052649149  -0.001866779968  0.001971266310  0.004178538067
  28  Al  4.062083594246  4.074113044221  4.092473432443  -0.033056602898  -0.003447165481  -0.181836888631  0.000959457374  0.001998580840  0.003261910432
  29  Al  4.001113225281  6.091191753887  6.150093284795  0.249776061163  -0.042797447322  -0.161581978022  -0.003698086608  0.001287165156  0.006011158754
  30  Al  6.088774164097  3.997712609599  6.085937741835  -0.009725979042  0.070433796543  0.003768130465  0.001135479953  -0.004276727701  0.000947807330
  31  Al  6.122791595584  6.053753252925  4.044543047674  -0.100901130922  0.067278270913  -0.136080702685  0.003833667449  -0.001678274708  -0.000654515112


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)
  -80.992839031205  -0.134104254384  0.033615630207
  -0.134104254384  -81.205881983941  -0.676623621625
  0.033615630207  -0.676623621625  -78.433790717819
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.044050894423  8.083460947177  8.072767608379  0.165054461411  0.017446833156  -0.111825630199  -0.004051884413  -0.001248528384  -0.002277646476
  1  Al  8.074334674703  1.986904733108  1.973272956464  0.148066587994  0.094696060200  0.005508501096  -0.001737700386  -0.002786747185  -0.003973556524
  2  Al  1.992972984927  8.046802802021  1.997188251376  0.063314893061  0.037376206337  0.118064017975  -0.002356126315  -0.004068209621  -0.001950799876
  3  Al  1.990445079714  2.008530412407  8.088976423965  0.020046955095  -0.023047145194  -0.182975078993  -0.002614217347  -0.001303217687  -0.001157060299
  4  Al  0.010013591552  8.059176325281  4.131198734125  0.120546168117  0.023873690814  -0.238586565217  0.000963105707  -0.003109706970  0.005883955537
  5  Al  0.007277722907  2.023914246112  6.105863683771  -0.012775150306  -0.044604211948  -0.089632592277  0.000531979591  -0.000147282140  0.002241027033
  6  Al  2.009689582922  8.092905451671  6.063275260482  -0.060746544007  0.191830055864  0.053698023958  -0.001286451854  -0.000230693348  -0.000826478941
  7  Al  2.020875323619  2.035793350170  4.082400435064  -0.027862887477  -0.078897594849  0.041764839954  -0.000360703726  0.000701697521  0.002568392823
  8  Al  8.077555003410  4.099006607269  8.029650517456  -0.003763513578  -0.137253064226  0.134064861907  -0.001733525877  0.003552895535  -0.005207360733
  9  Al  0.016431046754  6.068249396577  2.020419279319  -0.007037775031  -0.006140792540  0.091826576886  0.001267789100  -0.000527658637  -0.000199946279
  10  Al  2.056299932110  3.993477158352  2.017654215495  -0.083005609020  0.343486605352  0.156705209442  0.002292837376  -0.003784999151  -0.000325794663
  11  Al  2.036756786392  6.092496030925  0.059904943135  -0.109365844899  0.007416762878  0.100992502603  0.000724291207  0.001370945234  0.004797441016
  12  Al  8.071926482224  4.069192617092  4.005775678995  0.194229036728  0.000488297977  0.170655751652  -0.001855977656  0.001499677843  -0.003124484524
  13  Al  0.004598638344  6.056298350783  6.027262016028  -0.020115143048  0.019590607061  0.097118876742  0.000337164238  -0.001405604903  -0.003523109716
  14  Al  2.015271089842  4.028587975620  6.095405142108  -0.098725043225  -0.135728983563  -0.119296695795  -0.000915933936  -0.001872882294  0.001388754395
  15  Al  2.074422719166  6.082291085263  3.996425247690  -0.221137666494  -0.082112479126  -0.011133143688  0.003454447256  0.000433215033  -0.004173763275
  16  Al  4.110101759783  0.064502160752  8.098619061796  -0.023262378477  -0.031706045015  0.163724432442  0.004582671807  0.004933652491  0.000156751736
  17  Al  3.979875272297  1.969532910534  2.016216916324  0.231316703706  0.099012689384  -0.015664222030  -0.005022501921  -0.004113553153  -0.000706495271
  18  Al  6.121364579765  8.045485153605  1.961243493559  -0.220331731472  -0.005596085736  0.107415907572  0.003213039940  -0.004226456686  -0.004753999192
  19  Al  6.094169255782  2.086271107606  8.021962695804  -0.171485908146  -0.214070625185  0.047667737577  0.001190366657  0.004394167886  -0.005968815308
  20  Al  4.068001599999  0.066706079117  4.056066382096  -0.097468421292  -0.217755351910  -0.043485634938  0.001236378372  0.004790594249  0.000395524237
  21  Al  4.064206656863  2.006194483876  6.089211473022  0.032446827647  0.089291640556  0.121455338113  0.001146726095  -0.001314204852  0.001294570042
  22  Al  6.075824311831  0.006577920748  6.082877643342  0.020306710371  0.207769703011  0.072980400288  0.000102562862  0.000848759516  0.000725510990
  23  Al  6.123654459728  2.034819351131  4.033721742755  -0.143651634576  -0.010175214573  0.220580205516  0.003513009017  0.000737684056  -0.000885825872
  24  Al  4.062801849531  4.042806824106  0.068383825442  0.086394464231  -0.072311391633  -0.219681714458  0.001126244705  -0.000667362601  0.004933688757
  25  Al  4.027418010063  6.136449255225  2.083172379335  0.068378623740  -0.108309803064  -0.133844767916  -0.001649073977  0.004548229404  0.004279357900
  26  Al  6.042353372078  4.097072739945  1.982452416961  0.016021230562  0.031962157314  0.101848152601  -0.002509806763  0.003694319707  -0.003134677785
  27  Al  6.050235245076  6.102312976701  0.056039064625  0.025204959081  -0.106539898005  -0.132056580390  -0.001857756824  0.001934502139  0.004134355293
  28  Al  4.063037141147  4.076111008713  4.095702830701  -0.035461013209  -0.002768122008  -0.191541537165  0.000947206523  0.001997469556  0.003195150907
  29  Al  3.997459798273  6.092471266921  6.156075552923  0.266412544933  -0.045083849927  -0.169931661597  -0.003605792828  0.001271452107  0.005951884592
  30  Al  6.089907905058  3.993448475359  6.086886222901  -0.012046434966  0.083183691435  -0.002717866796  0.001131587076  -0.004249261116  0.000947995115
  31  Al  6.126607222056  6.052087007476  4.043864201528  -0.109497467454  0.074675657163  -0.143697644863  0.003796048483  -0.001652893550  -0.000704539078


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)
  -80.624149400066  -0.149762711790  0.043371927388
  -0.149762711790  -80.867452771278  -0.770452103709
  0.043371927388  -0.770452103709  -77.702853615578
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.040028521510  8.082215538261  8.070469967641  0.178430601113  0.019190605703  -0.117657971624  -0.003990469778  -0.001241977663  -0.002318677814
  1  Al  8.072623448409  1.984134917443  1.969300384852  0.157665657731  0.102084771176  0.006717501790  -0.001683035901  -0.002751563055  -0.003971370532
  2  Al  1.990628179224  8.042741275213  1.995258561176  0.065614049167  0.049450801203  0.126072702529  -0.002333074006  -0.004052685077  -0.001907148582
  3  Al  1.987834446734  2.007223073924  8.087786647985  0.018782494081  -0.025140843688  -0.189980518220  -0.002607274697  -0.001311833630  -0.001223744223
  4  Al  0.010998250740  8.056070886893  4.137040030728  0.128262546921  0.028151654987  -0.259049917260  0.001007592347  -0.003100404913  0.005794978851
  5  Al  0.007807418319  2.023758988803  6.108088684626  -0.012109019164  -0.049003480411  -0.097926924618  0.000527530337  -0.000164019060  0.002207491662
  6  Al  2.008392269673  8.092709057261  6.062458382671  -0.060944866617  0.200413415479  0.059662767903  -0.001308210103  -0.000160560780  -0.000806210194
  7  Al  2.020509638049  2.036480940915  4.084976295380  -0.030003544051  -0.083996650560  0.041132163967  -0.000371050160  0.000672572264  0.002583214688
  8  Al  8.075820804622  4.102534962154  8.024467127328  -0.003640027218  -0.146692948284  0.145528783517  -0.001734849619  0.003502126397  -0.005157369791
  9  Al  0.017697577510  6.067720639975  2.020235751499  -0.010769642107  -0.006358249514  0.095882352270  0.001264605159  -0.000529893448  -0.000166384193
  10  Al  2.058577928203  3.989753574112  2.017356439498  -0.092700347092  0.361764241339  0.169089593707  0.002261421404  -0.003658901314  -0.000267543021
  11  Al  2.037461523144  6.093868302265  0.064720441465  -0.114840539968  0.005347710969  0.098665792399  0.000684203429  0.001373227503  0.004833139632
  12  Al  8.070105232440  4.070692382241  4.002681707474  0.208575264761  -0.004960005620  0.181047280678  -0.001783956826  0.001498878308  -0.003061600528
  13  Al  0.004932206024  6.054896248652  6.023756271027  -0.024300471491  0.020858927746  0.106208680536  0.000329222790  -0.001398372584  -0.003486755042
  14  Al  2.014337504010  4.026690825179  6.096772566425  -0.102261252889  -0.140561877716  -0.129300104316  -0.000951869997  -0.001922282702  0.001344305645
  15  Al  2.077837627325  6.082709618703  3.992249493825  -0.236565451064  -0.088082533948  -0.001845768189  0.003372610597  0.000402784409  -0.004176083885
  16  Al  4.114680272310  0.069430144248  8.098805087225  -0.024648473711  -0.040354547930  0.172982930570  0.004574105415  0.004920768161  0.000216954528
  17  Al  3.974894129470  1.965437060708  2.015507620313  0.245968596109  0.106418687331  -0.014688732849  -0.004937163996  -0.004076822318  -0.000711922336
  18  Al  6.124538224709  8.041257696347  1.956508700177  -0.233346067517  0.001289480978  0.118951904389  0.003131923003  -0.004227226701  -0.004713524953
  19  Al  6.095328961006  2.090626999972  8.016002403419  -0.179476393706  -0.233814125461  0.062167695632  0.001127615103  0.004314086737  -0.005949176890
  20  Al  4.069220551157  0.071457739022  4.056454131164  -0.105706452845  -0.233948615196  -0.044566163730  0.001200050997  0.004709830230  0.000379780702
  21  Al  4.065359184404  2.004896244241  6.090527759103  0.033287564893  0.097037818302  0.126928675600  0.001158479310  -0.001280889413  0.001338980746
  22  Al  6.075930505504  0.007463829188  6.083616203122  0.019598795970  0.216821126710  0.077319314819  0.000109697909  0.000924675745  0.000752384363
  23  Al  6.127141784039  2.035555215873  4.032875356306  -0.152607699301  -0.010596867634  0.230814494547  0.003460038274  0.000733970037  -0.000805117149
  24  Al  4.063943541442  4.042126532332  0.073278235424  0.090700096739  -0.075790218249  -0.240534083910  0.001157908958  -0.000693842956  0.004851402835
  25  Al  4.025781162085  6.140978118992  2.087427805983  0.077742955269  -0.113917736091  -0.147195340018  -0.001622947649  0.004508495440  0.004229108333
  26  Al  6.039846429887  4.100772774439  1.979335949479  0.023178000392  0.027594482837  0.113855830290  -0.002502797997  0.003704968348  -0.003096110224
  27  Al  6.048381994862  6.104228429660  0.060149808391  0.025224030417  -0.114127706735  -0.150862109425  -0.001848740194  0.001895047089  0.004083769838
  28  Al  4.063978007292  4.078107983332  4.098863734257  -0.038337068155  -0.001800535694  -0.200144373173  0.000934011532  0.001996652686  0.003125118030
  29  Al  3.993901639625  6.093734658100  6.161997053979  0.281516135140  -0.047459045612  -0.178154035572  -0.003507823969  0.001254905570  0.005889647370
  30  Al  6.091037338249  3.989214087368  6.087833732065  -0.014331999943  0.098140396362  -0.011096539922  0.001126870650  -0.004216840630  0.000945525119
  31  Al  6.130383692549  6.050447465826  4.043133969517  -0.117957471864  0.082041867221  -0.150025882320  0.003755379867  -0.001624872682  -0.000757056422


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)
  -80.226305210160  -0.164793575057  0.056653289119
  -0.164793575057  -80.504783124522  -0.866109628899
  0.056653289119  -0.866109628899  -76.937234940421
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.036069954867  8.080976991851  8.068130252752  0.189391997116  0.021123039892  -0.123075273682  -0.003924703627  -0.001234769641  -0.002361720571
  1  Al  8.070968602901  1.981401606998  1.965330215400  0.164388223539  0.110656436583  0.007706667557  -0.001625453130  -0.002713525234  -0.003968791511
  2  Al  1.988306836916  8.038697431868  1.993373954212  0.069855386867  0.063813925491  0.133643144250  -0.002308852265  -0.004032433507  -0.001860711762
  3  Al  1.985230530320  2.005906745147  8.086528935520  0.019784146490  -0.026233945278  -0.195710426311  -0.002600379038  -0.001321019368  -0.001292705208
  4  Al  0.012028776245  8.052975515456  4.142788691826  0.133449894418  0.033496769705  -0.279437541924  0.001054386155  -0.003089382263  0.005698698068
  5  Al  0.008332783582  2.023586207991  6.110278667094  -0.013397714905  -0.052440289989  -0.106003037379  0.000522969770  -0.000182157060  0.002171029278
  6  Al  2.007073162716  8.092584330111  6.061662840094  -0.057385336406  0.207725258296  0.066233930115  -0.001329367373  -0.000087586172  -0.000783700046
  7  Al  2.020133223298  2.037138494698  4.087566864440  -0.029388983272  -0.088060429828  0.039721823398  -0.000381669459  0.000641808706  0.002597671265
  8  Al  8.074085304171  4.106010860063  8.019335777874  -0.005863884329  -0.156360431993  0.156968296983  -0.001736548905  0.003447940889  -0.005103283749
  9  Al  0.018960257073  6.067189609682  2.020086510933  -0.017310559478  -0.007535178214  0.098715924991  0.001259584460  -0.000532377572  -0.000131590301
  10  Al  2.060822774918  3.986159355724  2.017119129453  -0.100356850330  0.377545801344  0.180880501843  0.002226903055  -0.003526713743  -0.000204968871
  11  Al  2.038125193249  6.095242485932  0.069571222399  -0.117067138647  0.001887254616  0.093278596302  0.000642738669  0.001374521105  0.004867459012
  12  Al  8.068358568571  4.072190373707  3.999652477940  0.220288431934  -0.011743391595  0.191081851238  -0.001707276614  0.001495891764  -0.002995064374
  13  Al  0.005257083925  6.053501605614  6.020288505944  -0.031100405334  0.020949540399  0.116415706897  0.000319317193  -0.001390897291  -0.003446950122
  14  Al  2.013367349848  4.024743410215  6.098093753397  -0.102205274963  -0.144106851404  -0.138736953761  -0.000988428318  -0.001973181061  0.001296381005
  15  Al  2.081167940360  6.083096654082  3.988073079919  -0.248830501126  -0.094804159045  0.010036491011  0.003285822500  0.000370084532  -0.004174619396
  16  Al  4.119249970613  0.074343697074  8.099052970852  -0.024077658215  -0.049882623438  0.180687603526  0.004565393253  0.004904633885  0.000280190311
  17  Al  3.970000944304  1.961379265898  2.014793071652  0.262577740859  0.114751663861  -0.013616362173  -0.004846236643  -0.004037277378  -0.000716983246
  18  Al  6.127628425770  8.037030700204  1.951816443653  -0.248028985350  0.010446251785  0.130521596804  0.003045853836  -0.004225128368  -0.004668919450
  19  Al  6.096424485987  2.094899281081  8.010064342024  -0.189077803330  -0.252802461578  0.078979464050  0.001061718143  0.004227080392  -0.005923939981
  20  Al  4.070401701992  0.076125739576  4.056825943500  -0.111759089925  -0.249284787538  -0.044421163356  0.001161168470  0.004623428793  0.000363869896
  21  Al  4.066523615482  2.003632705050  6.091889434513  0.035816726687  0.105789321408  0.131780192842  0.001170835057  -0.001244624213  0.001385237519
  22  Al  6.076043707650  0.008427272239  6.084382412067  0.015569468895  0.224234058735  0.081766088216  0.000115985944  0.001003535778  0.000780828604
  23  Al  6.130574536277  2.036287291206  4.032111508456  -0.163898445305  -0.010114887827  0.239604904517  0.003403447431  0.000730266805  -0.000721006838
  24  Al  4.065117667447  4.041419138194  0.078086631111  0.096747406661  -0.078939915191  -0.262669566648  0.001191424302  -0.000721508481  0.004761430746
  25  Al  4.024172114765  6.145466246104  2.091630596001  0.090331161383  -0.120016353043  -0.161405486982  -0.001592896239  0.004466668361  0.004173930949
  26  Al  6.037347776083  4.104482676641  1.976260196514  0.029126559645  0.021107783850  0.125692090038  -0.002493446017  0.003713676244  -0.003053279400
  27  Al  6.046537764689  6.106103070879  0.064206604301  0.022423097722  -0.122785290009  -0.172159708640  -0.001840220956  0.001852687386  0.004026014002
  28  Al  4.064905164212  4.080104314085  4.101953066761  -0.038991476359  -0.001231645275  -0.206951937690  0.000920185300  0.001996110537  0.003052329796
  29  Al  3.990444150335  6.094981078062  6.167854847664  0.298125469141  -0.050724142701  -0.185185123839  -0.003404184884  0.001237350557  0.005824682852
  30  Al  6.092161646358  3.985014794100  6.088777273139  -0.019756860548  0.115073750235  -0.020074482083  0.001120775611  -0.004178718247  0.000939951785
  31  Al  6.134117981790  6.048837262112  4.042350088683  -0.129378743534  0.088465927746  -0.154267810114  0.003711156508  -0.001594386134  -0.000811463696


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)
  -79.801571995045  -0.178949936784  0.071448394365
  -0.178949936784  -80.117185557686  -0.962958368305
  0.071448394365  -0.962958368305  -76.139403317670
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.032179114256  8.079745998979  8.065746526499  0.204160600242  0.022899622470  -0.125443734737  -0.003854336989  -0.001226898453  -0.002406155412
  1  Al  8.069372542149  1.978707866976  1.961362801830  0.174430561649  0.118346878793  0.009826454072  -0.001564872819  -0.002672579770  -0.003965656614
  2  Al  1.986010474693  8.034676408199  1.991537137651  0.068214467747  0.080655611113  0.141400842824  -0.002284165574  -0.004006602562  -0.001811534293
  3  Al  1.982633688659  2.004581035188  8.085201237569  0.015030331216  -0.028338774574  -0.197221585808  -0.002594154259  -0.001330776892  -0.001362960887
  4  Al  0.013107023049  8.049892122367  4.148437426864  0.141312057760  0.040096114025  -0.302608408852  0.001103513196  -0.003076223961  0.005594629090
  5  Al  0.008853357860  2.023394674682  6.112430743181  -0.010713781780  -0.056596912494  -0.114879999725  0.000518658669  -0.000201652755  0.002131535709
  6  Al  2.005733534927  8.092533884916  6.060890982579  -0.057933516097  0.213289281847  0.072636036589  -0.001349986218  -0.000012309379  -0.000758870296
  7  Al  2.019746299132  2.037764558326  4.090171637910  -0.034350849294  -0.092660131450  0.034615666804  -0.000393066049  0.000609496129  0.002610962701
  8  Al  8.072347706812  4.109430843932  8.014260559831  -0.004195928617  -0.165820015106  0.171008999841  -0.001738347585  0.003390335489  -0.005044641880
  9  Al  0.020216746429  6.066655884830  2.019972570897  -0.020915713973  -0.007830617277  0.100963452276  0.001252749657  -0.000535124955  -0.000095887916
  10  Al  2.063031734313  3.982700146627  2.016946501755  -0.113956491723  0.391024092437  0.192957666791  0.002188584138  -0.003389294552  -0.000138127145
  11  Al  2.038747000482  6.096617344475  0.074455359490  -0.123971310876  -0.001160085012  0.087593456414  0.000599641342  0.001374651122  0.004899798675
  12  Al  8.066690679211  4.073684165770  3.996691578725  0.235435562340  -0.020042850670  0.197990947644  -0.001625793820  0.001490208430  -0.002925498718
  13  Al  0.005570840410  6.052114454071  6.016862370784  -0.034567565971  0.021957084288  0.126983207642  0.000307575854  -0.001383225648  -0.003403430746
  14  Al  2.012360647374  4.022744463056  6.099365328434  -0.106499267058  -0.146077155239  -0.148798778003  -0.001025744390  -0.002025065544  0.001244970030
  15  Al  2.084409272324  6.083449787767  3.983900255033  -0.265543327462  -0.100938555212  0.022072669852  0.003193853199  0.000335086016  -0.004168878324
  16  Al  4.123811058815  0.079239412017  8.099365467846  -0.026927222692  -0.060784047747  0.189628333068  0.004556273654  0.004884846843  0.000346402267
  17  Al  3.965201656183  1.957362505953  2.014073653820  0.274553767480  0.122163968270  -0.011553804778  -0.004750198303  -0.003994917204  -0.000721483636
  18  Al  6.130629932381  8.032807439610  1.947170861277  -0.256067504916  0.021784410629  0.143231712862  0.002955722109  -0.004219365572  -0.004619972752
  19  Al  6.097452397291  2.099081160757  8.004154523457  -0.192346443553  -0.272915646161  0.100530467072  0.000993520036  0.004133082751  -0.005891843864
  20  Al  4.071542888098  0.080704596608  4.057181870956  -0.121235795220  -0.264519630575  -0.045680844372  0.001119509320  0.004531561302  0.000347759787
  21  Al  4.067700854519  2.002406995816  6.093298234141  0.034207788417  0.113707223368  0.135222513396  0.001183355340  -0.001205378546  0.001432977219
  22  Al  6.076162477393  0.009470900743  6.085177860330  0.016186329074  0.229405514376  0.085440927840  0.000121663835  0.001084645880  0.000810724978
  23  Al  6.133948678902  2.037015749483  4.031433342630  -0.168869605028  -0.010453924168  0.244066911482  0.003343948983  0.000726589131  -0.000634527013
  24  Al  4.066326390046  4.040683515370  0.082801096917  0.098773398330  -0.081158148218  -0.283079756758  0.001226383140  -0.000750133784  0.004663851553
  25  Al  4.022595369608  6.149911455715  2.095775667881  0.099866293760  -0.125090297753  -0.175767029165  -0.001558889207  0.004422843645  0.004113644989
  26  Al  6.034859537853  4.108200126926  1.973229390679  0.041351357338  0.012793724693  0.138579608029  -0.002480844667  0.003719737784  -0.003006028001
  27  Al  6.044701552951  6.107933804432  0.068201836395  0.024494033948  -0.130400507774  -0.193303049898  -0.001831832240  0.001807418130  0.003960669787
  28  Al  4.065818377892  4.082100204405  4.104968393848  -0.043488169329  -0.000446886360  -0.214851283485  0.000905438058  0.001995810418  0.002976911987
  29  Al  3.987093269856  6.096209359215  6.173646419682  0.309939298965  -0.052931267118  -0.191964322726  -0.003295463779  0.001218817119  0.005757249073
  30  Al  6.093278889471  3.980856650874  6.089713635636  -0.020494182516  0.133988457227  -0.030527458384  0.001113578782  -0.004134186283  0.000930904231
  31  Al  6.137806005564  6.047258693558  4.041511042125  -0.135879172160  0.096053469369  -0.159069817806  0.003663728774  -0.001561394331  -0.000867488013


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)
  -79.345316205592  -0.191304096734  0.090847430578
  -0.191304096734  -79.706872737332  -1.058674220596
  0.090847430578  -1.058674220596  -75.316735427895
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.028361280888  8.078523194946  8.063317941927  0.214422618131  0.024570590798  -0.128763015523  -0.003779494912  -0.001218410847  -0.002451607213
  1  Al  8.067838857263  1.976056447457  1.957398902172  0.179913369048  0.127075091960  0.011598796198  -0.001501516634  -0.002628698675  -0.003961825810
  2  Al  1.983738505768  8.030684226745  1.989750885625  0.071398137355  0.099477104678  0.148992985120  -0.002259203041  -0.003974395091  -0.001759612295
  3  Al  1.980042221802  2.003245191364  8.083803013747  0.015650772988  -0.029391896054  -0.198418698717  -0.002588668522  -0.001341099053  -0.001433700800
  4  Al  0.014235802638  8.046823067533  4.153977950005  0.145272250120  0.047388119288  -0.324207903883  0.001154754058  -0.003060581906  0.005482555235
  5  Al  0.009370100920  2.023182902481  6.114541738512  -0.012237788703  -0.059806106343  -0.123798928099  0.000514554961  -0.000222465447  0.002088860260
  6  Al  2.004373190280  8.092559711354  6.060145099502  -0.051536725467  0.216495412656  0.079424762576  -0.001369559340  0.000064535506  -0.000731682044
  7  Al  2.019347091200  2.038357486957  4.092788789842  -0.033396204485  -0.096193334075  0.029635248149  -0.000405179125  0.000575729402  0.002622450672
  8  Al  8.070608609001  4.112791531040  8.009246494114  -0.006595850473  -0.175174376694  0.183492899579  -0.001740277140  0.003329366182  -0.004981257451
  9  Al  0.021465756387  6.066119359773  2.019894735101  -0.028791100920  -0.008905509021  0.102313802264  0.001243862150  -0.000538117350  -0.000059542235
  10  Al  2.065199943194  3.979380766620  2.016842875163  -0.122105064882  0.402047355847  0.204678713394  0.002146376671  -0.003247494519  -0.000067030333
  11  Al  2.039324475932  6.097991788175  0.079370819749  -0.124246024995  -0.005710439888  0.076835477632  0.000555260439  0.001373422682  0.004929198332
  12  Al  8.065106980931  4.075170790567  3.993801480504  0.246155420249  -0.029175575874  0.206083164459  -0.001539686046  0.001481408246  -0.002853250848
  13  Al  0.005872235633  6.050735154318  6.013481644452  -0.041711369505  0.021705014748  0.138581895555  0.000293937291  -0.001375418927  -0.003355948088
  14  Al  2.011315861069  4.020693279127  6.100583693456  -0.104019234880  -0.145524212811  -0.158281590056  -0.001063384795  -0.002077203449  0.001190064502
  15  Al  2.087555646759  6.083766826115  3.979735323270  -0.276011928498  -0.107870480893  0.038450435976  0.003097023899  0.000297751261  -0.004158056880
  16  Al  4.128362517920  0.084113390760  8.099745775386  -0.026199413187  -0.073324746108  0.195236294734  0.004546774688  0.004860868384  0.000415215509
  17  Al  3.960500547699  1.953389431491  2.013350104381  0.290011223273  0.130750386567  -0.008993643620  -0.004649254895  -0.003949696481  -0.000725157490
  18  Al  6.133539869988  8.028591969059  1.942576498149  -0.268636117347  0.035107159096  0.155509571905  0.002861905857  -0.004209193442  -0.004566558240
  19  Al  6.098411526060  2.103165446583  7.998280654296  -0.199836361659  -0.292477570540  0.122933021657  0.000923398315  0.004031991258  -0.005851888914
  20  Al  4.072640720633  0.085188862181  4.057521463073  -0.126902042402  -0.279216083102  -0.043830421486  0.001075142632  0.004434342139  0.000331755301
  21  Al  4.068890326162  2.001221947957  6.094755388951  0.036275172753  0.122373209310  0.137443229946  0.001195957592  -0.001163167705  0.001481729461
  22  Al  6.076287035321  0.010596563999  6.086003862023  0.010162996327  0.232741086832  0.089170899381  0.000126375057  0.001167277027  0.000841945321
  23  Al  6.137262434242  2.037740469468  4.030842454430  -0.179397179533  -0.009591917815  0.248886532330  0.003281679383  0.000723004963  -0.000546387647
  24  Al  4.067570433728  4.039918870626  0.087414334216  0.103796655366  -0.082092488616  -0.306193192670  0.001262602374  -0.000779322763  0.004558490397
  25  Al  4.021054336350  6.154311933395  2.099857885978  0.114239653305  -0.130696728084  -0.190763012113  -0.001520607372  0.004377109293  0.004048109945
  26  Al  6.032386086749  4.111922152210  1.970248140513  0.049326946475  0.002533367864  0.151419327941  -0.002464631517  0.003722478247  -0.002954176609
  27  Al  6.042874100209  6.109717907139  0.072127943875  0.020416372982  -0.139013352225  -0.218595659668  -0.001823802324  0.001759247320  0.003887022891
  28  Al  4.066716040328  4.084095934920  4.107906890735  -0.044222752789  0.000109741005  -0.219561452846  0.000889755471  0.001995750137  0.002899239615
  29  Al  3.983853222777  6.097418712300  6.179369345811  0.324812957581  -0.055951677578  -0.197454931535  -0.003181970989  0.001199349005  0.005687621471
  30  Al  6.094388803923  3.976746421534  6.090639081602  -0.027388741459  0.155216345892  -0.041746336987  0.001105017384  -0.004082476880  0.000917981781
  31  Al  6.141445439338  6.045714473450  4.040615112657  -0.148620644771  0.102526509181  -0.160078271590  0.003612860616  -0.001525888517  -0.000924551232


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)
  -78.861908962526  -0.202898820682  0.112558470735
  -0.202898820682  -79.272044106411  -1.153748761933
  0.112558470735  -1.153748761933  -74.469447262472
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.024620124432  8.077309177285  8.060843312072  0.229376042923  0.026381745859  -0.130119196033  -0.003700144350  -0.001209300642  -0.002497894980
  1  Al  8.066369508880  1.973450469625  1.953439150209  0.189671389313  0.134083025996  0.015422667287  -0.001435435412  -0.002582003980  -0.003956994412
  2  Al  1.981492068610  8.026727618017  1.988017913061  0.068486800963  0.121257699131  0.157913399136  -0.002234191816  -0.003934928026  -0.001704737875
  3  Al  1.977456351615  2.001898837082  8.082333835969  0.010339377922  -0.031949258667  -0.196523471898  -0.002584021520  -0.001352066763  -0.001504315892
  4  Al  0.015416531165  8.043770958554  4.159402537334  0.152972100333  0.056386859143  -0.347216764835  0.001208079719  -0.003042027089  0.005362505471
  5  Al  0.009882467783  2.022949743787  6.116608463701  -0.008780161982  -0.064166712862  -0.134701822413  0.000510796982  -0.000244631609  0.002042640698
  6  Al  2.002994416248  8.092662955928  6.059427618491  -0.048988641149  0.217794779627  0.084607875700  -0.001387533130  0.000142185967  -0.000702353244
  7  Al  2.018935940882  2.038916017129  4.095416539254  -0.038043396082  -0.101251919106  0.022321252327  -0.000417952423  0.000540426475  0.002631740420
  8  Al  8.068867152533  4.116089576296  8.004298044930  -0.003923170219  -0.184625358543  0.197250284712  -0.001742157925  0.003265034507  -0.004913181117
  9  Al  0.022704470729  6.065579650131  2.019853486427  -0.032579069529  -0.008559429383  0.103980656908  0.001232889252  -0.000541240056  -0.000022657083
  10  Al  2.067324487655  3.976205157590  2.016812441090  -0.136633884744  0.410312275907  0.217392497329  0.002100114519  -0.003102245786  0.000008435392
  11  Al  2.039857521361  6.099364189839  0.084313756153  -0.129376492099  -0.009193937829  0.064227056733  0.000509913098  0.001370757801  0.004954420110
  12  Al  8.063611307120  4.076646982263  3.990985077028  0.261112057955  -0.040039109104  0.212539299613  -0.001448987351  0.001469032760  -0.002778401754
  13  Al  0.006158714991  6.049363616216  6.010150474608  -0.044316035683  0.023093867460  0.149506356314  0.000278555714  -0.001367408952  -0.003304438323
  14  Al  2.010233877785  4.018590056158  6.101745457438  -0.105967656687  -0.143470702542  -0.169337799645  -0.001100930149  -0.002128875324  0.001131486626
  15  Al  2.090603320123  6.084045290289  3.975584141272  -0.291342156905  -0.113215329411  0.056795502778  0.002995581805  0.000258221437  -0.004141027043
  16  Al  4.132904608191  0.088961148785  0.000199651120  -0.029955962472  -0.087156287993  0.200290394723  0.004536734187  0.004832174606  0.000485935111
  17  Al  3.955903146393  1.949463112991  2.012623338840  0.299713087486  0.137546570192  -0.004171897481  -0.004543813037  -0.003901725371  -0.000727511470
  18  Al  6.136353744094  8.024389052727  1.938037744796  -0.274094353396  0.051352331543  0.169948497969  0.002764866430  -0.004193734609  -0.004508366806
  19  Al  6.099299193921  2.107145143272  7.992450745630  -0.200599343850  -0.313748867549  0.148816653402  0.000851800987  0.003923598843  -0.005803300463
  20  Al  4.073693173362  0.089573280886  4.057845381558  -0.137300865958  -0.293112238868  -0.041686421779  0.001027903532  0.004332010659  0.000316465013
  21  Al  4.070092769703  2.000080660406  6.096261693064  0.032920869497  0.129450079347  0.136890508183  0.001208329745  -0.001118142063  0.001530779939
  22  Al  6.076415227507  0.011805454798  6.086861750972  0.008834174513  0.233721029712  0.091109770118  0.000129771724  0.001250679782  0.000874179245
  23  Al  6.140512037668  2.038461759410  4.030340567336  -0.183301195877  -0.010261886458  0.250520632752  0.003216829435  0.000719455132  -0.000457094365
  24  Al  4.068851594795  4.039124869844  0.091918077712  0.103651729092  -0.082231332681  -0.329063540321  0.001299693847  -0.000808703626  0.004444907408
  25  Al  4.019554154863  6.158665674301  2.103871887771  0.124488649548  -0.134574325201  -0.204882486123  -0.001477923095  0.004329679211  0.003977369099
  26  Al  6.029930274820  4.115645083419  1.967321037462  0.063839690662  -0.009949013681  0.166394937422  -0.002444397485  0.003721152340  -0.002897351875
  27  Al  6.041053948303  6.111452299072  0.075975882176  0.021378926861  -0.145885211391  -0.245301811498  -0.001816329385  0.001708307867  0.003804078690
  28  Al  4.067597888834  4.086091704679  4.110766873078  -0.049593005303  0.000250086011  -0.223858542935  0.000872981349  0.001995814473  0.002819956758
  29  Al  3.980729327877  6.098608057226  6.185021662624  0.333543885457  -0.057048959843  -0.203636556431  -0.003064257733  0.001179144654  0.005615906890
  30  Al  6.095488924240  3.972691697113  6.091549599197  -0.029545160542  0.178258138199  -0.055445590752  0.001094837685  -0.004022852123  0.000900604004
  31  Al  6.145031726797  6.044206916525  4.039661939660  -0.155988230047  0.110551392986  -0.159982341261  0.003558396988  -0.001487790494  -0.000981777609


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)
  -78.345172049868  -0.211452890735  0.140384082804
  -0.211452890735  -78.814348999307  -1.245292845079
  0.140384082804  -1.245292845079  -73.607473563907
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.020960992188  8.076104593661  8.058322151967  0.239326807062  0.027227377958  -0.130498784071  -0.003616340955  -0.001199715408  -0.002544493100
  1  Al  8.064967986440  1.970892439498  1.949484913349  0.194247064406  0.143295787208  0.017460647608  -0.001366791345  -0.002532409047  -0.003951114922
  2  Al  1.979270122136  8.022814370693  1.986341409875  0.069764716199  0.144619993700  0.164678641527  -0.002209472643  -0.003887389477  -0.001647058883
  3  Al  1.974874178761  2.000541057838  8.080794381963  0.009831178680  -0.032254407228  -0.192406404235  -0.002580415054  -0.001363546286  -0.001573855994
  4  Al  0.016651962075  8.040739013354  4.164702960947  0.155691186015  0.065663342861  -0.370460208886  0.001263268270  -0.003020204689  0.005234185861
  5  Al  0.010391694884  2.022693639262  6.118627019907  -0.009815215799  -0.066140999137  -0.143707059317  0.000507472155  -0.000267930440  0.001992861591
  6  Al  2.001598124019  8.092844083289  6.058740393014  -0.039967201734  0.215892580837  0.092297368431  -0.001403438307  0.000219728643  -0.000670722841
  7  Al  2.018511186355  2.039438339906  4.098052270681  -0.037392102532  -0.103630935681  0.013182535021  -0.000431440181  0.000503793715  0.002638088446
  8  Al  8.067124293150  4.119321600055  7.999420131879  -0.005866782344  -0.193270329268  0.211423037267  -0.001743908355  0.003197467302  -0.004840110915
  9  Al  0.023931534891  6.065036879661  2.019849420936  -0.041281183247  -0.010315931351  0.102610426445  0.001219683145  -0.000544614943  0.000014281106
  10  Al  2.069400172233  3.973176275048  2.016859745948  -0.146148548304  0.416568264329  0.227807168234  0.002049553427  -0.002954400735  0.000088036452
  11  Al  2.040344302128  6.100733303776  0.089279659968  -0.128348457502  -0.015345262189  0.048104536515  0.000463832248  0.001366370227  0.004974504837
  12  Al  8.062209006229  4.078108856088  3.988244676995  0.271156754337  -0.051274299466  0.218137240903  -0.001353818453  0.001452706054  -0.002701397409
  13  Al  0.006429347062  6.048000336415  6.006872767806  -0.051341255153  0.021977311135  0.163454397728  0.000261452328  -0.001359350290  -0.003248481391
  14  Al  2.009114000772  4.016435528479  6.102846666709  -0.101576567598  -0.138258091195  -0.178233942322  -0.001138038757  -0.002179248027  0.001069341299
  15  Al  2.093546810370  6.084283268988  3.971453269183  -0.300526844353  -0.121029139710  0.077763141015  0.002889756480  0.000216338863  -0.004116968151
  16  Al  4.137435986295  0.093777739972  0.000721397865  -0.029813907617  -0.103253717685  0.203819802648  0.004526047421  0.004798129571  0.000558189433
  17  Al  3.951412921625  1.945585980749  2.011895081441  0.313453524706  0.146776582807  -0.000583267609  -0.004434179729  -0.003850888801  -0.000728361686
  18  Al  6.139069602848  8.020204499841  1.933559764537  -0.283388934513  0.069171378690  0.182437147172  0.002665189220  -0.004172185143  -0.004445360760
  19  Al  6.100115128034  2.111012644269  7.986674053370  -0.204984084815  -0.332961210535  0.177783293513  0.000779283254  0.003807968012  -0.005744904862
  20  Al  4.074696527698  0.093852883499  4.058154393099  -0.142982814220  -0.307150197475  -0.038228929954  0.000977789214  0.004224684599  0.000302176263
  21  Al  4.071306985651  1.998985663831  6.097816948828  0.033334502272  0.138656501999  0.136918657459  0.001220176110  -0.001070204992  0.001579736623
  22  Al  6.076546578768  0.013097923564  6.087752220513  0.001444548640  0.231425267376  0.094810739851  0.000131609545  0.001333847271  0.000907421565
  23  Al  6.143696093113  2.039179379732  4.029928265700  -0.192022023271  -0.008585660647  0.250012151719  0.003149722184  0.000716085217  -0.000367599823
  24  Al  4.070169821421  4.038301463374  0.096304149032  0.107004306761  -0.080194880009  -0.352744106841  0.001337358843  -0.000837745199  0.004323001182
  25  Al  4.018098490159  6.162971291816  2.107812624176  0.140210495987  -0.140433950482  -0.221589640000  -0.001430595269  0.004280508127  0.003901116497
  26  Al  6.027497291780  4.119364456890  1.964453436762  0.074580487720  -0.023946447034  0.179475435578  -0.002419648156  0.003715091880  -0.002835510750
  27  Al  6.039241441439  6.113134522872  0.079736101256  0.016864495737  -0.154969687882  -0.274723423886  -0.001809491516  0.001654515444  0.003711098927
  28  Al  4.068462003025  4.088087563867  4.113546804251  -0.050837212280  0.000861901502  -0.226651041927  0.000855024570  0.001996013295  0.002739406292
  29  Al  3.977724707311  6.099777001609  6.190601159591  0.346119179375  -0.060292410942  -0.206921091010  -0.002942734956  0.001158164186  0.005542499774
  30  Al  6.096578479292  3.968700717289  6.092440289609  -0.037444710547  0.204856649732  -0.067971535742  0.001082859992  -0.003954351750  0.000878537199
  31  Al  6.148562233314  6.042738892461  4.038651557438  -0.169291402070  0.116314617784  -0.157456932831  0.003500237458  -0.001447227178  -0.001038535295


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)
  -77.800700618784  -0.218985623750  0.171410598530
  -0.218985623750  -78.334209663660  -1.332199852021
  0.171410598530  -1.332199852021  -72.729335847634
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.017387442521  8.074909746469  8.055754325872  0.252881151640  0.028413678094  -0.129574101824  -0.003528334881  -0.001189766867  -0.002590993758
  1  Al  8.063635926191  1.968385651531  1.945536920365  0.201971564565  0.149916955822  0.022431824655  -0.001295948024  -0.002479983031  -0.003943982206
  2  Al  1.977073123323  8.018952839062  1.984723795296  0.065907484570  0.170921641834  0.173779593547  -0.002185214649  -0.003830971087  -0.001586543037
  3  Al  1.972295521508  1.999171744510  8.079186123981  0.004756146615  -0.035069482334  -0.185871107998  -0.002577806861  -0.001375583701  -0.001641491468
  4  Al  0.017943067705  8.037730549176  4.169870909056  0.161363018423  0.076794324735  -0.394590349534  0.001319957105  -0.002994733463  0.005097395922
  5  Al  0.010897412093  2.022413882907  6.120594186883  -0.007010606172  -0.070251372548  -0.155612228642  0.000504463723  -0.000292317200  0.001939343733
  6  Al  2.000187539634  8.093102413215  6.058086172809  -0.033968217065  0.212414062979  0.097571429384  -0.001416657854  0.000296309255  -0.000636774573
  7  Al  2.018073060520  2.039923604559  4.100692716145  -0.041367613689  -0.108342207818  0.002206276777  -0.000445522305  0.000465893222  0.002640839943
  8  Al  8.065379335823  4.122484510900  7.994617823099  -0.003824665050  -0.202113223468  0.226185369358  -0.001745641172  0.003126773292  -0.004761867162
  9  Al  0.025143837019  6.064490420245  2.019882048638  -0.046804266947  -0.009598462021  0.102675029571  0.001203933593  -0.000548175608  0.000050985850
  10  Al  2.071423594510  3.970296356119  2.016988513994  -0.160854895296  0.419727345372  0.240184462354  0.001994661654  -0.002804872284  0.000171712682
  11  Al  2.040785185857  6.102096930292  0.094262765827  -0.131040664199  -0.019564520058  0.029597344297  0.000417453847  0.001360128408  0.004988397821
  12  Al  8.060903670214  4.079552394371  3.985582282211  0.284494189638  -0.064278499566  0.222679829434  -0.001254468864  0.001432045380  -0.002622579951
  13  Al  0.006681619648  6.046644915636  6.003653511827  -0.054723794068  0.023352994084  0.175874481472  0.000242488050  -0.001351245297  -0.003187809875
  14  Al  2.007957800270  4.014231560104  6.103884140036  -0.100505797668  -0.131678146597  -0.189435576686  -0.001174170793  -0.002227512238  0.001003602518
  15  Al  2.096382833082  6.084477968014  3.967350204969  -0.313569779425  -0.126275317653  0.101031398227  0.002779956887  0.000172121182  -0.004084999945
  16  Al  4.141956703032  0.098557407927  0.001316029986  -0.033256313696  -0.120388894467  0.206267593940  0.004514770556  0.004758142594  0.000631512469
  17  Al  3.947034786934  1.941761335390  2.011166615467  0.322433252205  0.153417557195  0.006022702541  -0.004320484089  -0.003797214521  -0.000727389123
  18  Al  6.141684122534  8.016044682440  1.929147023276  -0.286511293080  0.090042965622  0.197703035930  0.002563291880  -0.004143717848  -0.004377392242
  19  Al  6.100857760429  2.114761079296  7.980960935905  -0.203521888511  -0.354766693112  0.209585470413  0.000706242974  0.003685003253  -0.005675643885
  20  Al  4.075648751790  0.098022650085  4.058449734084  -0.152329958958  -0.320416344766  -0.033962426291  0.000924987715  0.004112476605  0.000289268552
  21  Al  4.072533121922  1.997940250421  6.099421166311  0.029175700918  0.145305619462  0.133199514436  0.001231352844  -0.001019432974  0.001628033364
  22  Al  6.076678446596  0.014473149340  6.088676594102  -0.002203954510  0.227020736759  0.095760526942  0.000131473764  0.001415816757  0.000941495433
  23  Al  6.146811482036  2.039893929845  4.029605367690  -0.195165258594  -0.009231122615  0.247018439976  0.003080493655  0.000712899602  -0.000278731469
  24  Al  4.071526312480  4.037449379446  0.100564080076  0.105894889502  -0.077425739398  -0.376591938539  0.001375424913  -0.000865927539  0.004192596947
  25  Al  4.016692964325  6.167226690554  2.111674120764  0.152640161639  -0.143445020407  -0.236262516735  -0.001378233993  0.004229750975  0.003819253190
  26  Al  6.025090978507  4.123075267180  1.961650015961  0.090860869409  -0.040405194340  0.195307236253  -0.002390067480  0.003703585899  -0.002768500148
  27  Al  6.037434965271  6.114761329959  0.083398080030  0.016427394634  -0.161520292466  -0.306002470756  -0.001803538974  0.001597927491  0.003607265973
  28  Al  4.069307937975  4.090083731268  4.116245685663  -0.055853060038  0.000841495372  -0.228457509001  0.000835948503  0.001996317860  0.002658033539
  29  Al  3.974843857966  6.100924385598  6.196106662172  0.353623378696  -0.060989962049  -0.211881354942  -0.002817621993  0.001136479072  0.005467618499
  30  Al  6.097654644224  3.964782993613  6.093306673596  -0.041523232224  0.232992236375  -0.083699354747  0.001068740638  -0.003876064999  0.000851418662
  31  Al  6.152032201713  6.041312462169  4.037584869071  -0.178393943265  0.124598881980  -0.153140623813  0.003438071819  -0.001404152191  -0.001094069691


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)
  -77.223530212521  -0.222918497028  0.209437936931
  -0.222918497028  -77.832569288689  -1.413312885782
  0.209437936931  -1.413312885782  -71.845754224632
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.013904322426  8.073725059927  8.053140164452  0.262400188179  0.029189601990  -0.127034846664  -0.003436203319  -0.001179467484  -0.002636875068
  1  Al  8.062376090391  1.965932473436  1.941596948938  0.205471331167  0.158934949599  0.024772351507  -0.001223097821  -0.002424760754  -0.003935542167
  2  Al  1.974899692838  8.015152428519  1.983168323800  0.064733966892  0.199095041256  0.179894288770  -0.002161856146  -0.003764812637  -0.001523306656
  3  Al  1.969718565039  1.997789890437  8.077511399026  0.002920047980  -0.035497359178  -0.176406555955  -0.002576434368  -0.001388200950  -0.001706266193
  4  Al  0.019291876285  8.034749546428  4.174897752791  0.162958085552  0.088744358113  -0.419062985074  0.001377945252  -0.002965135385  0.004951915877
  5  Al  0.011400622330  2.022109004862  6.122505707373  -0.008126658357  -0.071735964491  -0.164822531042  0.000501757202  -0.000317704332  0.001882050459
  6  Al  1.998764808312  8.093436701798  6.057466843867  -0.023156348809  0.206214911083  0.105904461424  -0.001426871644  0.000371159513  -0.000600393377
  7  Al  2.017620141745  2.040370126351  4.103333950567  -0.041559454687  -0.110456391152  -0.011016421639  -0.000460349545  0.000426772347  0.002639264702
  8  Al  8.063633010806  4.125575146639  7.989896397555  -0.005419249226  -0.210833672018  0.241918513726  -0.001747293970  0.003052938982  -0.004678170862
  9  Al  0.026339402077  6.063940528446  2.019951392635  -0.056147879568  -0.011190344404  0.098823228470  0.001185525898  -0.000551892617  0.000087013448
  10  Al  2.073389495540  3.967566530480  2.017203171312  -0.172078843374  0.420423195325  0.249249257799  0.001935133580  -0.002654654576  0.000259222727
  11  Al  2.041179209821  6.103453560592  0.099256455611  -0.129398344577  -0.026456337822  0.008226807523  0.000370887727  0.001351899945  0.004995160725
  12  Al  8.059700068501  4.080972946848  3.982999517093  0.293520522019  -0.078104305833  0.225787381125  -0.001151120666  0.001406587539  -0.002542394659
  13  Al  0.006914323162  6.045297845822  6.000497148055  -0.061220544662  0.022132121558  0.191978112314  0.000221757369  -0.001343112623  -0.003122038361
  14  Al  2.006765659185  4.011980504004  6.104853871746  -0.094884734823  -0.122389831666  -0.197610321094  -0.001209106339  -0.002272939226  0.000934399269
  15  Al  2.099106724144  6.084627511351  3.963283269293  -0.322169337741  -0.134010860830  0.126115982345  0.002666287648  0.000125582387  -0.004044386320
  16  Al  4.146465527406  0.103294025160  0.001984422804  -0.033695120832  -0.138910489199  0.207625127115  0.004502799736  0.004711780237  0.000705515892
  17  Al  3.942771953447  1.937991551707  2.010440303195  0.334345231401  0.162635788846  0.010543089877  -0.004203053041  -0.003740704637  -0.000724427183
  18  Al  6.144196186607  8.011917064146  1.924804980052  -0.291827350330  0.113073440902  0.210166831985  0.002459885763  -0.004107400926  -0.004304465697
  19  Al  6.101527613982  2.118382650775  7.975322765600  -0.204161225549  -0.374191590725  0.244694387433  0.000633349820  0.003554666561  -0.005594419300
  20  Al  4.076546503128  0.102077836709  4.058732930203  -0.158061865669  -0.332888571771  -0.028866260049  0.000869490104  0.003995666626  0.000278034874
  21  Al  4.073769691340  1.996946797883  6.101073015556  0.028163131737  0.154068023294  0.130914304552  0.001241604945  -0.000965905397  0.001675256535
  22  Al  6.076809526296  0.015929557077  6.089635211379  -0.010196495175  0.220375011013  0.099300825484  0.000129256581  0.001495810472  0.000976372122
  23  Al  6.149857080424  2.040605178936  4.029370802762  -0.201413436624  -0.007307280925  0.241562067425  0.003009585955  0.000709942560  -0.000191373977
  24  Al  4.072920671247  4.036569608296  0.104689342926  0.107493895516  -0.073249688407  -0.400571870929  0.001413578520  -0.000892868089  0.004053641176
  25  Al  4.015342022173  6.171430793766  2.115451130556  0.169380200498  -0.148645719048  -0.254254608907  -0.001320657216  0.004177525571  0.003731549434
  26  Al  6.022717156820  4.126771628688  1.958916436466  0.104829681526  -0.058878528030  0.208538651403  -0.002355078291  0.003685834113  -0.002696293085
  27  Al  6.035634363492  6.116330377854  0.086950633201  0.012223269624  -0.170403868283  -0.339215969052  -0.001798416276  0.001538579928  0.003491901844
  28  Al  4.070133900031  4.092080199586  4.118862871328  -0.057436461830  0.000585694422  -0.229493953684  0.000815692500  0.001996573039  0.002576152476
  29  Al  3.972089463324  6.102049959753  6.201536396590  0.363689095707  -0.063911267810  -0.213094721189  -0.002689367555  0.001114146912  0.005391633389
  30  Al  6.098715960567  3.960948587290  6.094143126934  -0.049621515972  0.263482586954  -0.097299792105  0.001052444088  -0.003787296015  0.000819056275
  31  Al  6.155438376951  6.039930588078  4.036463418057  -0.191553779995  0.130107347239  -0.147264832894  0.003371925698  -0.001358611084  -0.001147781754


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)
  -76.619515951662  -0.225424480038  0.251705898074
  -0.225424480038  -77.310567821706  -1.487223375094
  0.251705898074  -1.487223375094  -70.955285681933
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.010515035883  8.072550811502  8.050480575736  0.274948169358  0.030068494682  -0.121786573025  -0.003340126206  -0.001168872221  -0.002681363980
  1  Al  8.061189730549  1.963536130022  1.937665836032  0.211320091543  0.165917365211  0.029817645873  -0.001148576114  -0.002366677628  -0.003925781554
  2  Al  1.972749411032  8.011423213789  1.981677181984  0.058631342260  0.229611593112  0.188149719743  -0.002139798606  -0.003688160507  -0.001457500917
  3  Al  1.967142652771  1.996395342610  8.075773591595  -0.003314803776  -0.037911802615  -0.163215229878  -0.002576504950  -0.001401326403  -0.001766990080
  4  Al  0.020698958208  8.031800278407  4.179774740810  0.166685794490  0.101945911236  -0.445669289433  0.001436885103  -0.002931040239  0.004797302991
  5  Al  0.011900926496  2.021778474243  6.124358287800  -0.006210551405  -0.074734243624  -0.176475602948  0.000499193729  -0.000343892994  0.001821026844
  6  Al  1.997333796347  8.093844732241  6.056885386055  -0.015567575399  0.198389718946  0.112104895363  -0.001433795426  0.000443502238  -0.000561413618
  7  Al  2.017152361429  2.040777149254  4.105971245549  -0.046046016204  -0.114167685202  -0.027507251277  -0.000476013278  0.000386609886  0.002632376725
  8  Al  8.061884747882  4.128590388863  7.985261481376  -0.003824088202  -0.219551020361  0.259507454111  -0.001748946666  0.002975986818  -0.004588516620
  9  Al  0.027514888815  6.063386635012  2.020056075534  -0.062991927157  -0.010861670662  0.096378674517  0.001164223872  -0.000555835485  0.000121915267
  10  Al  2.075293861670  3.964987046966  2.017506959447  -0.187958383408  0.418444753280  0.260157352851  0.001870759442  -0.002504666195  0.000350303895
  11  Al  2.041526961310  6.104800730182  0.104253087278  -0.131461478691  -0.031925517576  -0.013682581169  0.000324246366  0.001341461353  0.004994185241
  12  Al  8.058601428882  4.082365569450  3.980497492892  0.305012650341  -0.093094226922  0.226408281285  -0.001044103796  0.001375977488  -0.002461542726
  13  Al  0.007125134386  6.043958690390  5.997409435104  -0.064767739041  0.022824427922  0.206380516670  0.000199230846  -0.001335074457  -0.003050812412
  14  Al  2.005539587592  4.009685681651  6.105752938574  -0.092716147723  -0.111710520728  -0.207896218231  -0.001242649107  -0.002314796033  0.000861895283
  15  Al  2.101715408379  6.084729132789  3.959261432328  -0.334554415490  -0.139864979146  0.151466939550  0.002548866386  0.000076613782  -0.003994754894
  16  Al  4.150962302503  0.107980968401  0.002727061770  -0.037145157586  -0.158430993442  0.209519557768  0.004490133596  0.004658616008  0.000780100761
  17  Al  3.938628680852  1.934279926115  2.009717761100  0.342108867880  0.169981952436  0.017922280057  -0.004082104022  -0.003681233064  -0.000719337616
  18  Al  6.146603894060  8.007829880588  1.920538091882  -0.291104834763  0.138618577623  0.225331400964  0.002355658327  -0.004062398756  -0.004226599240
  19  Al  6.102124460069  2.121870412418  7.969772097304  -0.199044498189  -0.395330569972  0.283737641908  0.000561257217  0.003417077106  -0.005499936414
  20  Al  4.077387731997  0.106013983338  4.059005803831  -0.166548052865  -0.344699831459  -0.024647571640  0.000811450317  0.003874514795  0.000268466677
  21  Al  4.075016331812  1.996008439626  6.102771679380  0.023387528810  0.160858030954  0.125006151325  0.001250822129  -0.000909597072  0.001721014744
  22  Al  6.076936959758  0.017464770285  6.090629338346  -0.014387086116  0.211597851587  0.100100482116  0.000124861072  0.001573046598  0.001012024789
  23  Al  6.152830653947  2.041313814964  4.029222619735  -0.202418675917  -0.007028393322  0.232320345199  0.002937381355  0.000707379362  -0.000106644484
  24  Al  4.074353469521  4.035663643269  0.108671362428  0.105369941565  -0.068263845490  -0.422751902107  0.001451638268  -0.000918170505  0.003906432071
  25  Al  4.014051649894  6.175581741697  2.119137219632  0.183370887997  -0.151729149411  -0.270248892784  -0.001257585829  0.004123818977  0.003637768963
  26  Al  6.020380821925  4.130446935405  1.956257429792  0.123967015184  -0.079327020713  0.224287074841  -0.002314169771  0.003661123159  -0.002618904468
  27  Al  6.033838132719  6.117838489816  0.090381883718  0.012177040079  -0.177424786616  -0.372364631963  -0.001794053536  0.001476388666  0.003364672257
  28  Al  4.070939322975  4.094076877347  4.121397990615  -0.062066243108  -0.000128152519  -0.231324043793  0.000794325588  0.001996654847  0.002493758882
  29  Al  3.969465122856  6.103152679422  6.206889928950  0.369533879932  -0.064891763465  -0.215915224842  -0.002558268343  0.001091117116  0.005314927028
  30  Al  6.099759532399  3.957208401582  6.094944786147  -0.053851977257  0.295392621495  -0.113849394881  0.001033943176  -0.003687369933  0.000781303105
  31  Al  6.158776053109  6.038595240000  4.035289305563  -0.200533557142  0.137424874762  -0.141262006169  0.003301821047  -0.001310776708  -0.001199369937


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)
  -75.985103119743  -0.224930622015  0.302606803520
  -0.224930622015  -76.770195038579  -1.552896479994
  0.302606803520  -1.552896479994  -70.066808861480
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.007224070014  8.071387315484  8.047777436492  0.283968979882  0.030542440667  -0.118173159126  -0.003240192624  -0.001158035073  -0.002724268435
  1  Al  8.060078938163  1.961199118180  1.933745385830  0.213740543583  0.174505222045  0.033770179452  -0.001072575884  -0.002305810560  -0.003914412142
  2  Al  1.970620095626  8.007776107504  1.980253321966  0.056672132497  0.261502004406  0.195113751375  -0.002119182511  -0.003600350103  -0.001388973960
  3  Al  1.964565555139  1.994987237631  8.073977418867  -0.004641433192  -0.038364293996  -0.150805426683  -0.002577927514  -0.001414964459  -0.001823136521
  4  Al  0.022165646492  8.028887465950  4.184492358773  0.167131623424  0.115937429497  -0.469384235455  0.001496571177  -0.002892083011  0.004633692738
  5  Al  0.012399009788  2.021421218874  6.126147761060  -0.007350401965  -0.075794077821  -0.187218354830  0.000496769050  -0.000370807241  0.001755998888
  6  Al  1.995897217461  8.094323706275  6.056344016632  -0.001948301405  0.188480124792  0.119559690881  -0.001436927239  0.000512674010  -0.000519992323
  7  Al  2.016668115190  2.041143346122  4.108598704016  -0.045445726929  -0.116087452391  -0.042543575380  -0.000492371870  0.000345440599  0.002619851738
  8  Al  8.060135117475  4.131527120275  7.980719364315  -0.004785688312  -0.228077363732  0.274683616925  -0.001750486081  0.002895951507  -0.004493004026
  9  Al  0.028667849820  6.062828857476  2.020195223170  -0.072695472091  -0.012094550571  0.091789728155  0.001139963160  -0.000559940024  0.000155559507
  10  Al  2.077131014424  3.962557198091  2.017903779103  -0.198926970099  0.414320838061  0.269092554077  0.001801584898  -0.002355768906  0.000444933017
  11  Al  2.041827702553  6.106136483299  0.109244826093  -0.127966883870  -0.039629484180  -0.040822916068  0.000277860948  0.001328667422  0.004984439736
  12  Al  8.057611860909  4.083724901824  3.978076431641  0.312982121869  -0.108763747225  0.228970422641  -0.000933607220  0.001339885573  -0.002380121669
  13  Al  0.007312784853  6.042627696908  5.994395523232  -0.070624994139  0.021685156500  0.222861135399  0.000175022820  -0.001327116207  -0.002974064622
  14  Al  2.004280360971  4.007350911938  6.106577662313  -0.084816082745  -0.099010531283  -0.216608286612  -0.001274391614  -0.002352472653  0.000785994489
  15  Al  2.104204456917  6.084780738914  3.955293759506  -0.341365810380  -0.147367163377  0.181315700051  0.002428012823  0.000025257088  -0.003935253837
  16  Al  4.155445794598  0.112611257176  0.003544624327  -0.038438534208  -0.178968503405  0.207254851712  0.004476619340  0.004598289464  0.000854619426
  17  Al  3.934607745403  1.930629085580  2.009001627962  0.352124080380  0.179165027564  0.024620879193  -0.003957976170  -0.003618806086  -0.000711730961
  18  Al  6.148907503261  8.003792266634  1.916351781573  -0.293949915888  0.165910898307  0.239054159461  0.002251051380  -0.004007949324  -0.004143567770
  19  Al  6.102650128416  2.125216804987  7.964322892772  -0.197642285459  -0.414824808337  0.322115382365  0.000490330191  0.003272222490  -0.005391610765
  20  Al  4.078169403762  0.109826866299  4.059269863558  -0.172161769575  -0.355537230968  -0.016557798497  0.000750889489  0.003749313416  0.000261099217
  21  Al  4.076271335597  1.995127603739  6.104515045043  0.020764553206  0.168992865145  0.119121643393  0.001258716458  -0.000850620207  0.001764664442
  22  Al  6.077059248440  0.019075650274  6.091659260957  -0.024133901477  0.201053380442  0.101789199298  0.000117973575  0.001646828045  0.001048122373
  23  Al  6.155731843134  2.042019937659  4.029157513794  -0.207737559800  -0.005085423207  0.224273279368  0.002864046010  0.000705213429  -0.000025006201
  24  Al  4.075823947783  4.034733267287  0.112502207067  0.104837577594  -0.062259881557  -0.447816480071  0.001489223070  -0.000941507959  0.003750775697
  25  Al  4.012826850516  6.179678431721  2.122726668482  0.200664753947  -0.156132608389  -0.287615209638  -0.001188920809  0.004068773738  0.003538023664
  26  Al  6.018088817278  4.134093875007  1.953678627530  0.139236145318  -0.101337049226  0.238840828449  -0.002267109425  0.003628820684  -0.002536097865
  27  Al  6.032046256421  6.119283155185  0.093679977715  0.007162666403  -0.185876821532  -0.409901992456  -0.001790595624  0.001411430861  0.003224804110
  28  Al  4.071722551208  4.096073509280  4.123850389091  -0.064123373615  -0.001296660932  -0.229314315251  0.000771763066  0.001996400092  0.002411397406
  29  Al  3.966972926639  6.104232193984  6.212166250646  0.377214882872  -0.067338295682  -0.216843578679  -0.002424750739  0.001067474571  0.005237550377
  30  Al  6.100783846920  3.953573847425  6.095705733143  -0.063229736184  0.328890313228  -0.129730488251  0.001013009134  -0.003575749042  0.000737751372
  31  Al  6.162042019044  6.037309034662  4.034064678182  -0.214515219643  0.142860247156  -0.130891185198  0.003227610923  -0.001260662131  -0.001248030536


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)
  -75.327383419850  -0.223548605506  0.357938507346
  -0.223548605506  -76.213189827707  -1.608724133615
  0.357938507346  -1.608724133615  -69.179211933058
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.004034650635  8.070234741355  8.045032038867  0.296328927152  0.030298091260  -0.113068083438  -0.003136436194  -0.001147156874  -0.002765614036
  1  Al  8.059044578780  1.958924508903  1.929837011747  0.218872040971  0.180196061892  0.040550422360  -0.000995225377  -0.002242390480  -0.003901123726
  2  Al  1.968511046011  8.004222513583  1.978899234063  0.050849360162  0.294318835211  0.204532766954  -0.002099957823  -0.003500970137  -0.001317517738
  3  Al  1.961986797744  1.993565413692  8.072127318552  -0.009325948594  -0.041644876760  -0.136048718516  -0.002580424862  -0.001429269984  -0.001874425630
  4  Al  0.023692100563  8.026016112384  4.189042126285  0.170105885839  0.130180030885  -0.493879875793  0.001556868758  -0.002848077564  0.004461462501
  5  Al  0.012894464596  2.021036859760  6.127870285575  -0.005506851583  -0.079090416341  -0.200711975070  0.000494470192  -0.000398500366  0.001686637503
  6  Al  1.994459941868  8.094870080260  6.055845401409  0.008994618982  0.176549936990  0.124381746521  -0.001435667368  0.000577940859  -0.000476375945
  7  Al  2.016167617690  2.041468030452  4.111210949024  -0.048225596214  -0.120694536496  -0.059256441812  -0.000509120167  0.000303104320  0.002601650041
  8  Al  8.058383775719  4.134382291878  7.976275473324  -0.002358054494  -0.235748525622  0.290541112514  -0.001751763372  0.002813020106  -0.004391942658
  9  Al  0.029794815135  6.062266754963  2.020367194548  -0.079395173742  -0.010667412878  0.088973673750  0.001112769571  -0.000564009831  0.000187879743
  10  Al  2.078897031466  3.960275509155  2.018396825481  -0.213748991148  0.408729608288  0.279845466897  0.001727799030  -0.002208608670  0.000543082345
  11  Al  2.042082683206  6.107458065026  0.114221966750  -0.127783728791  -0.044867948758  -0.068708601681  0.000232133106  0.001313559402  0.004964855659
  12  Al  8.056734214442  4.085045340595  3.975737249555  0.323592092238  -0.124436493580  0.230379095559  -0.000819788667  0.001298189705  -0.002297990636
  13  Al  0.007475180026  6.041304457975  5.991461305860  -0.073012502225  0.023395220563  0.237164194460  0.000149340642  -0.001319055901  -0.002891812755
  14  Al  2.002990804363  4.004980736345  6.107324927552  -0.080042957597  -0.084719154812  -0.227777832771  -0.001303868173  -0.002385323257  0.000706538890
  15  Al  2.106571434024  6.084779646965  3.951390924655  -0.351616664404  -0.151876467263  0.211857358519  0.002304108554  -0.000028247243  -0.003864955060
  16  Al  4.159915541184  0.117177547329  0.004436300622  -0.043170316464  -0.200744027311  0.204718875181  0.004462027795  0.004530397410  0.000928279735
  17  Al  3.930712728512  1.927042313943  2.008294299179  0.357693170089  0.185404958498  0.034257368399  -0.003831061867  -0.003553621498  -0.000701203615
  18  Al  6.151105996819  7.999813981940  1.912250956342  -0.291739793763  0.194595371109  0.255672197505  0.002146330903  -0.003943491322  -0.004055111409
  19  Al  6.103105120451  2.128414857399  7.958988875773  -0.191485171036  -0.436536219393  0.362435984632  0.000420754762  0.003120000364  -0.005269213966
  20  Al  4.078889510974  0.113512610170  4.059528002264  -0.181052971626  -0.366270893796  -0.008605895996  0.000687735201  0.003620255162  0.000256599984
  21  Al  4.077533764727  1.994307199213  6.106301008264  0.014202169003  0.174065835110  0.109663909355  0.001264968457  -0.000789281805  0.001805570970
  22  Al  6.077172906909  0.020758426374  6.092725583093  -0.030546738576  0.188381210022  0.100468891054  0.000108196755  0.001716458389  0.001084285829
  23  Al  6.158558745968  2.042724241822  4.029172607333  -0.208495443259  -0.005783875332  0.214102105215  0.002789624149  0.000703270014  0.000053374687
  24  Al  4.077331915661  4.033780627350  0.116172913822  0.100507008422  -0.055204061532  -0.471684998590  0.001525938386  -0.000962510343  0.003586370156
  25  Al  4.011673808276  6.183719289173  2.126213266961  0.214561491136  -0.157477566811  -0.302532740360  -0.001114678954  0.004012700690  0.003432506060
  26  Al  6.015846603076  4.137704576772  1.951185234061  0.158698968605  -0.123893886820  0.255903204947  -0.002213839055  0.003588549717  -0.002447638344
  27  Al  6.030256941471  6.120661351538  0.096831491939  0.005771227634  -0.191782911935  -0.447719951459  -0.001788283062  0.001343905844  0.003071462541
  28  Al  4.072482849107  4.098069677532  4.126220785427  -0.069535137007  -0.002341983339  -0.227393242312  0.000747865117  0.001995749508  0.002329738752
  29  Al  3.964615621379  6.105287628565  6.217365029703  0.380326135340  -0.066805444450  -0.219770660425  -0.002289303495  0.001043489864  0.005159484379
  30  Al  6.101785550668  3.950056903497  6.096420288891  -0.068985005051  0.363529550469  -0.148375192938  0.000989369329  -0.003451945367  0.000688026477
  31  Al  6.165231274954  6.036073915737  4.032793244490  -0.224476049997  0.150941992935  -0.119914162660  0.003149119916  -0.001208130714  -0.001292874172


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)
  -74.646253873863  -0.219864440964  0.423133342049
  -0.219864440964  -75.640144505310  -1.655054080453
  0.423133342049  -1.655054080453  -68.302390746104
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.000951197627  8.069093001736  8.042246208420  0.304028188123  0.030194050811  -0.106681631445  -0.003029093205  -0.001136340966  -0.002804904969
  1  Al  8.058088487409  1.956714337219  1.925943138379  0.219419978095  0.188464529863  0.044009311004  -0.000916859395  -0.002176474497  -0.003886004567
  2  Al  1.966420179980  8.000774167230  1.977618286490  0.048125885168  0.328206693558  0.210134834716  -0.002082261191  -0.003389663468  -0.001243375768
  3  Al  1.959404705416  1.992128697664  8.070228567608  -0.010172782617  -0.042164548445  -0.119625997935  -0.002583911207  -0.001444254988  -0.001920139901
  4  Al  0.025279384008  8.023191310822  4.193415283776  0.168425799639  0.145174710901  -0.517805928135  0.001617397736  -0.002798844532  0.004280574536
  5  Al  0.013387950171  2.020624218142  6.129521036066  -0.008044672697  -0.079529357783  -0.210705034328  0.000492047199  -0.000426861353  0.001613076734
  6  Al  1.993025882726  8.095479587993  6.055391264741  0.024287403725  0.163619192350  0.132985505954  -0.001429716590  0.000638762610  -0.000430359051
  7  Al  2.015649874855  2.041749554762  4.113802004098  -0.047079654382  -0.122187111908  -0.076957723889  -0.000526160609  0.000259677431  0.002577295144
  8  Al  8.056631590730  4.137153160487  7.971935478999  -0.003652340975  -0.243783254378  0.306786476616  -0.001752838022  0.002727280514  -0.004285141344
  9  Al  0.030893388963  6.061700837814  2.020570982656  -0.090184117629  -0.011714123467  0.081980407577  0.001082449038  -0.000568011617  0.000218446087
  10  Al  2.080586612485  3.958139980751  2.018989943793  -0.224451101885  0.401125623364  0.286507974418  0.001649449484  -0.002063807721  0.000644345525
  11  Al  2.042291968765  6.108763602104  0.119174537410  -0.123232282618  -0.053135543415  -0.098419580302  0.000187251805  0.001296036519  0.004934973380
  12  Al  8.055972283575  4.086321281235  3.973480450369  0.329419036604  -0.140898779713  0.230766485755  -0.000703031217  0.001250748140  -0.002215538470
  13  Al  0.007611466138  6.039989585106  5.988611897721  -0.078961306321  0.022347506853  0.255233177722  0.000122167944  -0.001310877167  -0.002803772814
  14  Al  2.001672624624  4.002580265425  6.107990740093  -0.071057655613  -0.069367269898  -0.235063023743  -0.001330884746  -0.002412873688  0.000623783611
  15  Al  2.108812674024  6.084724244429  3.947563849386  -0.357506906600  -0.159288790486  0.242849725563  0.002177318280  -0.000083883143  -0.003783654087
  16  Al  4.164369850189  0.121672051995  0.005401183797  -0.044495051134  -0.222556825681  0.201181679394  0.004446353354  0.004454711826  0.001000854170
  17  Al  3.926945621669  1.923521842585  2.007599220732  0.366679496438  0.194564350426  0.040606836399  -0.003701545077  -0.003485683532  -0.000687818003
  18  Al  6.153200165067  7.995905283990  1.908241558754  -0.292104842003  0.224634455056  0.268500547062  0.002041940322  -0.003868533632  -0.003961390077
  19  Al  6.103491637940  2.131456805715  7.953784464840  -0.188118085283  -0.455654351203  0.404371048588  0.000352882246  0.002960477974  -0.005132109972
  20  Al  4.079544874165  0.117067376623  4.059783063527  -0.185558313984  -0.375461900619  0.000013173773  0.000622185631  0.003487634406  0.000255063618
  21  Al  4.078801272512  1.993549040129  6.108126186983  0.011260281502  0.181431767934  0.102820947981  0.001269521107  -0.000725719345  0.001843562956
  22  Al  6.077275641951  0.022508567053  6.093827832615  -0.041017603437  0.175108057274  0.102342192649  0.000095401154  0.001781449747  0.001120548159
  23  Al  6.161311091431  2.043426477687  4.029264263168  -0.212595527826  -0.003747175075  0.202748388797  0.002714333689  0.000701565876  0.000127906955
  24  Al  4.078875824556  4.032808246600  0.119674947379  0.098953547277  -0.047956706650  -0.495325582522  0.001561601647  -0.000980955340  0.003413470056
  25  Al  4.010597492608  6.187703833101  2.129591680603  0.232720548739  -0.161062600164  -0.321153639924  -0.001034705569  0.003955746167  0.003320991833
  26  Al  6.013661139168  4.141270974440  1.948783350841  0.175241238297  -0.147963225771  0.269591032022  -0.002154131027  0.003539942056  -0.002353680731
  27  Al  6.028469690296  6.121970966873  0.099822902798  0.000806924067  -0.199805024321  -0.486265969632  -0.001787106898  0.001273890485  0.002904467203
  28  Al  4.073218281442  4.100065008296  4.128509866595  -0.071132469067  -0.004352764748  -0.224798804995  0.000722713951  0.001994552497  0.002248887465
  29  Al  3.962394319649  6.106319173711  6.222485219404  0.386531013537  -0.068729838137  -0.218413177707  -0.002152190540  0.001019256350  0.005081137740
  30  Al  6.102762585577  3.946669956690  6.097081786097  -0.078463991175  0.398475144409  -0.164055149392  0.000963005661  -0.003315700025  0.000632164381
  31  Al  6.168340258875  6.034892773235  4.031478929839  -0.238070635967  0.156013109063  -0.108158502040  0.003066417234  -0.001153247583  -0.001333653236


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)
  -73.950901691253  -0.215660453518  0.493576077212
  -0.215660453518  -75.053436515022  -1.689968072083
  0.493576077212  -1.689968072083  -67.432693151345
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.997976464224  8.067962059423  8.039422228929  0.315785420929  0.029400416498  -0.098143191023  -0.002918271424  -0.001125685561  -0.002841527352
  1  Al  8.057210859990  1.954571559908  1.922065002614  0.223255879185  0.195371487145  0.050198283129  -0.000837709589  -0.002107845170  -0.003869160385
  2  Al  1.964346523628  7.997443186646  1.976412482528  0.040441531300  0.362147417881  0.218139602333  -0.002066425465  -0.003266229147  -0.001166800915
  3  Al  1.956818975330  1.990676903715  8.068287038751  -0.015616033400  -0.043976663960  -0.100632248311  -0.002588522210  -0.001459656913  -0.001959521758
  4  Al  0.026926896035  8.020418423319  4.197603275356  0.169690034617  0.159648275071  -0.543058316020  0.001677852361  -0.002744342621  0.004090893536
  5  Al  0.013878558994  2.020183137054  6.131096439043  -0.007003709265  -0.080637901477  -0.223157927949  0.000489356570  -0.000455499029  0.001535502661
  6  Al  1.991600508688  8.096147605479  6.054984683307  0.035141238577  0.149215761420  0.139086054135  -0.001419090834  0.000694697049  -0.000381713048
  7  Al  2.015115296472  2.041987385313  4.116365539312  -0.050541483740  -0.124533193743  -0.096743881463  -0.000543615128  0.000215564195  0.002546237547
  8  Al  8.054878099675  4.139836852905  7.967705190635  -0.000839652112  -0.251042563476  0.324177804670  -0.001753641184  0.002638806370  -0.004172325839
  9  Al  0.031959713211  6.061130731729  2.020804086721  -0.097389869685  -0.011497369485  0.077126788629  0.001048911079  -0.000572161799  0.000246894224
  10  Al  2.082195930435  3.956147893714  2.019685516531  -0.239797561009  0.392738104248  0.295089111354  0.001566442491  -0.001921866029  0.000748334247
  11  Al  2.042457186815  6.110050138064  0.124091913511  -0.123431512988  -0.060533103259  -0.127255511685  0.000143148673  0.001275712729  0.004894622999
  12  Al  8.055328152008  4.087546836876  3.971306172615  0.338457274862  -0.156864626832  0.229423734796  -0.000583615894  0.001197508472  -0.002133257121
  13  Al  0.007719515914  6.038682703641  5.985853760232  -0.080935823453  0.022622035253  0.270505437289  0.000093578567  -0.001302836678  -0.002709771506
  14  Al  2.000329034872  4.000154988969  6.108572494775  -0.066735074955  -0.052786629358  -0.244879383164  -0.001355521888  -0.002434714629  0.000537970600
  15  Al  2.110926070584  6.084611880679  3.943823616480  -0.368162262025  -0.165505092981  0.272853759106  0.002047569677  -0.000141955822  -0.003691447047
  16  Al  4.168808247892  0.126086970981  0.006438008962  -0.049834860280  -0.245255437333  0.198496604143  0.004429487302  0.004371067667  0.001072316072
  17  Al  3.923309638358  1.920070946879  2.006918663174  0.370449695133  0.202530781661  0.049960365999  -0.003569747439  -0.003414683494  -0.000671624717
  18  Al  6.155189877463  7.992076914675  1.904328176188  -0.286186942543  0.255120682951  0.284280684375  0.001938542583  -0.003782754104  -0.003862553588
  19  Al  6.103810884943  2.134335813347  7.948724655829  -0.178659754046  -0.475205199925  0.448224736375  0.000287302896  0.002794041626  -0.004979667073
  20  Al  4.080133882236  0.120487878982  4.060038129500  -0.193552732428  -0.384642303426  0.007223007032  0.000554401122  0.003351728869  0.000256357437
  21  Al  4.080072806940  1.992855760523  6.109988134176  0.003855457064  0.187470765179  0.092530864509  0.001272223779  -0.000659760103  0.001878491579
  22  Al  6.077363709217  0.024321325868  6.094966679410  -0.046528235102  0.160055956028  0.100990771628  0.000079748084  0.001841376590  0.001156903800
  23  Al  6.163987413346  2.044127373573  4.029428421243  -0.211060409591  -0.002557078478  0.188804667388  0.002638584617  0.000700438684  0.000197916078
  24  Al  4.080455118954  4.031818716670  0.122999853934  0.092951865786  -0.039808841272  -0.516433880948  0.001595914058  -0.000996647694  0.003232568920
  25  Al  4.009604397138  6.191630781507  2.132855250627  0.246593669534  -0.163349267725  -0.336892813472  -0.000949004877  0.003897741792  0.003203334074
  26  Al  6.011538341023  4.144784460885  1.946477872599  0.196699962068  -0.172008614882  0.286018076957  -0.002087628475  0.003482731552  -0.002254338622
  27  Al  6.026682727674  6.123209132507  0.102640426345  0.000932878450  -0.206730866823  -0.523392741808  -0.001786795824  0.001201202453  0.002723941679
  28  Al  4.073928277010  4.102058782525  4.130718560357  -0.076516986340  -0.006021690300  -0.223421493427  0.000696314441  0.001992697559  0.002168746321
  29  Al  3.960311240298  6.107326141265  6.227527305182  0.387641116500  -0.069505823965  -0.219364480926  -0.002013769678  0.000994540013  0.005002863724
  30  Al  6.103711561989  3.943425503448  6.097684617653  -0.082872367405  0.434079292420  -0.182638297181  0.000934158952  -0.003166840490  0.000570176092
  31  Al  6.171364109422  6.033767420571  4.030125938018  -0.246230753639  0.162061292946  -0.097116186472  0.002979824842  -0.001096376338  -0.001370356055


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)
  -73.239745539254  -0.209377024931  0.574354523634
  -0.209377024931  -74.455432000019  -1.712983832691
  0.574354523634  -1.712983832691  -66.579668974765
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.995114654779  8.066841630614  8.036563153716  0.323174951785  0.028730599579  -0.091108710162  -0.002804026229  -0.001115291819  -0.002875365320
  1  Al  8.056413068231  1.952498646879  1.918204817610  0.222701865696  0.203181226983  0.054744361752  -0.000757972986  -0.002036584518  -0.003850396791
  2  Al  1.962287329051  7.994241708936  1.975284684660  0.037817938837  0.396447980897  0.224377254511  -0.002052432784  -0.003130593381  -0.001087679538
  3  Al  1.954227660996  1.989209383838  8.066309524091  -0.015220409919  -0.044440458272  -0.083092341603  -0.002594035722  -0.001475465767  -0.001992371450
  4  Al  0.028635088730  8.017702625580  4.201597070847  0.166949543482  0.174731262895  -0.565129867397  0.001738043033  -0.002684556041  0.003892751083
  5  Al  0.014366663310  2.019713220084  6.132592041387  -0.010137630529  -0.080485649833  -0.234011206132  0.000486291723  -0.000484307688  0.001453761477
  6  Al  1.990187701057  8.096868982092  6.054627838646  0.051813079903  0.134257586794  0.146764142504  -0.001403543527  0.000745381676  -0.000330603444
  7  Al  2.014562644600  2.042180683153  4.118894479193  -0.048275659500  -0.125824889099  -0.114367094827  -0.000561283491  0.000170800530  0.002508491209
  8  Al  8.053124308362  4.142430773226  7.963590827321  -0.001537214823  -0.258497344093  0.339169398812  -0.001754066165  0.002547701368  -0.004053720314
  9  Al  0.032991211122  6.060556514217  2.021064771105  -0.108044427402  -0.012179376632  0.070094890816  0.001012179723  -0.000576395167  0.000273217249
  10  Al  2.083719497467  3.954296248693  2.020486612287  -0.249053680320  0.382825140228  0.301014354489  0.001479036593  -0.001783196437  0.000854916689
  11  Al  2.042578266112  6.111315027561  0.128963783407  -0.117774772543  -0.069401434562  -0.159589520581  0.000100021337  0.001252480620  0.004843335520
  12  Al  8.054805051788  4.088716298179  3.969213936127  0.342859994410  -0.173267608800  0.229984732069  -0.000461797347  0.001138481303  -0.002051115548
  13  Al  0.007798623272  6.037383911751  5.983192354709  -0.086036692477  0.021828637554  0.287648150117  0.000063724122  -0.001294888961  -0.002609974448
  14  Al  1.998961580849  3.997710836167  6.109066681293  -0.056636384719  -0.035711031048  -0.252483404113  -0.001377580527  -0.002450537883  0.000449042849
  15  Al  2.112907813378  6.084440332785  3.940180955293  -0.372850521920  -0.172508844070  0.305352921856  0.001915077658  -0.000202392227  -0.003588064524
  16  Al  4.173228824792  0.130414187329  0.007545815941  -0.052471773502  -0.267623216210  0.192540633485  0.004411195023  0.004279365702  0.001142232967
  17  Al  3.919806126791  1.916692475597  2.006255971298  0.377641631160  0.211840278608  0.057621897116  -0.003435989786  -0.003340594545  -0.000652389163
  18  Al  6.157077250233  7.988339775782  1.900516451577  -0.284735805500  0.286518650716  0.297976205864  0.001836462418  -0.003685909771  -0.003758446895
  19  Al  6.104066243732  2.137044888967  7.943825130693  -0.173949289726  -0.493202616023  0.490194410790  0.000224256907  0.002620891703  -0.004811879080
  20  Al  4.080653676408  0.123770834360  4.060295778400  -0.197867015222  -0.392398793045  0.017331565907  0.000484415834  0.003212795039  0.000260747759
  21  Al  4.081345720069  1.992229519923  6.111883170141  -0.000368038841  0.194242483601  0.083310129355  0.001272847324  -0.000591510324  0.001909931696
  22  Al  6.077435138120  0.026191320233  6.096141640215  -0.057456897695  0.144965509819  0.100853927835  0.000061155692  0.001895913989  0.001192993342
  23  Al  6.166588260665  2.044827355055  4.029660095324  -0.214564577346  -0.000347429478  0.176756361206  0.002562483482  0.000699919362  0.000263277864
  24  Al  4.082067652672  4.030814951213  0.126140085219  0.089525226555  -0.031963248525  -0.539308396442  0.001628540700  -0.001009480440  0.003043803720
  25  Al  4.008699482855  6.195499316685  2.135998348752  0.264054117986  -0.166249100785  -0.354069289270  -0.000857701787  0.003838810078  0.003079791045
  26  Al  6.009485882218  4.148236437543  1.944274673597  0.213088714798  -0.196975029550  0.300392677990  -0.002014358850  0.003416757807  -0.002149489223
  27  Al  6.024896098647  6.124373371778  0.105270786155  -0.004047145759  -0.214462812984  -0.562909366834  -0.001787352651  0.001125893629  0.002529712425
  28  Al  4.074610910324  4.104050403415  4.132847359236  -0.078284296639  -0.008617742016  -0.219083399566  0.000668636195  0.001990080050  0.002089627083
  29  Al  3.958366780294  6.108308253737  6.232490946853  0.391596685212  -0.071132711046  -0.218263086911  -0.001874443080  0.000969394045  0.004924616545
  30  Al  6.104630903481  3.940336275711  6.098222138280  -0.092454975197  0.469032056753  -0.199578777844  0.000902810675  -0.003005365480  0.000501836229
  31  Al  6.174299908560  6.032700020559  4.028738217729  -0.259456540244  0.166687921644  -0.083133554790  0.002889408682  -0.001037596452  -0.001402584449


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)
  -72.525639644914  -0.203738453281  0.661468497137
  -0.203738453281  -73.848533881602  -1.724293240501
  0.661468497137  -1.724293240501  -65.739169047640
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.992368411766  8.065731475785  8.033671498290  0.333260672992  0.027288196402  -0.082558428959  -0.002686656484  -0.001105275739  -0.002906416754
  1  Al  8.055694914019  1.950498390872  1.914364209032  0.224559417103  0.209170824575  0.061383859291  -0.000678003312  -0.001962856565  -0.003829633232
  2  Al  1.960241658060  7.991181999883  1.974237123453  0.031757552247  0.429912769060  0.232169167390  -0.002039992786  -0.002982841269  -0.001006049694
  3  Al  1.951630903887  1.987725972181  8.064302295850  -0.017833666757  -0.046435681628  -0.063930200884  -0.002599945743  -0.001491714290  -0.002018658869
  4  Al  0.030402982101  8.015049311237  4.205388777523  0.165939697954  0.189190009422  -0.587486383731  0.001797563150  -0.002619487441  0.003686664957
  5  Al  0.014851142439  2.019214521678  6.134003961998  -0.010938875166  -0.081563132382  -0.246791146425  0.000482523274  -0.000513281777  0.001367794709
  6  Al  1.988793421634  8.097638368831  6.054323476420  0.065180107018  0.118291555093  0.152484646301  -0.001382625314  0.000790537099  -0.000277098191
  7  Al  2.013992729490  2.042328986374  4.121382521729  -0.049473359475  -0.128447157700  -0.132943193715  -0.000578760875  0.000125337054  0.002464272485
  8  Al  8.051369967345  4.144932255641  7.959597750008  0.001098095078  -0.265001038908  0.354683345563  -0.001754144679  0.002454100610  -0.003929660442
  9  Al  0.033984072656  6.059977941395  2.021350521219  -0.116000158400  -0.011182254701  0.064593155569  0.000972120873  -0.000580572193  0.000297299278
  10  Al  2.085154003621  3.952581500840  2.021395349909  -0.261664496632  0.372710558850  0.307896958998  0.001387720918  -0.001648107741  0.000963789155
  11  Al  2.042657229488  6.112555099305  0.133778584551  -0.115532307794  -0.076903883940  -0.190758627715  0.000058306366  0.001226321440  0.004780693775
  12  Al  8.054404557315  4.089823799483  3.967203941518  0.349440332894  -0.189011726409  0.229332517152  -0.000338015045  0.001073706280  -0.001968990285
  13  Al  0.007846964157  6.036092925719  5.980633811336  -0.088183182985  0.022971558344  0.302563572159  0.000032573859  -0.001286878751  -0.002504445442
  14  Al  1.997573873818  3.995253913202  6.109470580473  -0.050304125621  -0.018018339234  -0.261652483378  -0.001396701336  -0.002460144617  0.000357116093
  15  Al  2.114756225899  6.084207096225  3.936647487432  -0.381154797758  -0.177691384729  0.336515539736  0.001780262592  -0.000265007524  -0.003473299367
  16  Al  4.177630637937  0.134645702385  0.008722474897  -0.057895640357  -0.290581442695  0.187026463082  0.004391461488  0.004179559512  0.001210099018
  17  Al  3.916437658785  1.913389757789  2.005613884847  0.380817433121  0.219303996040  0.067075861560  -0.003300378397  -0.003263506569  -0.000630093384
  18  Al  6.158862802299  7.984705095134  1.896811282399  -0.278653357826  0.317656758695  0.313586515021  0.001735729246  -0.003577884077  -0.003649100360
  19  Al  6.104259398756  2.139577596752  7.939100897668  -0.165032337617  -0.512275913535  0.532520860692  0.000163647480  0.002441113589  -0.004629019062
  20  Al  4.081102713904  0.126913469060  4.060559625018  -0.204468432930  -0.400069180160  0.026603524271  0.000412478835  0.003071102906  0.000268603290
  21  Al  4.082618501589  1.991672739876  6.113807997568  -0.007729601249  0.198766245849  0.071862307542  0.001271399478  -0.000521240928  0.001937676304
  22  Al  6.077486020601  0.028113153846  6.097352666094  -0.064659096749  0.128882769300  0.098234209471  0.000039321528  0.001944877667  0.001228590014
  23  Al  6.169112380310  2.045527212298  4.029954976970  -0.213555849735  0.000015945896  0.163453061270  0.002485936166  0.000699860094  0.000324106819
  24  Al  4.083712200354  4.029799755790  0.129087461375  0.082584180866  -0.023532315683  -0.559973802883  0.001659313614  -0.001019402967  0.002847253645
  25  Al  4.007888993564  6.199308401662  2.139014832717  0.278037387704  -0.167169340685  -0.369292134752  -0.000760776606  0.003779195340  0.002950455063
  26  Al  6.007509623323  4.151617976499  1.942178894153  0.233047917879  -0.221021705654  0.316509515652  -0.001934590262  0.003342020592  -0.002039187999
  27  Al  6.023108022373  6.125460919765  0.107699851195  -0.005264092327  -0.220218758660  -0.600754701081  -0.001789017487  0.001048173190  0.002321650965
  28  Al  4.075265549400  4.106038942625  4.134897814522  -0.083020612160  -0.010976914599  -0.215690504768  0.000639795109  0.001986576553  0.002011890134
  29  Al  3.956562354137  6.109264929355  6.237376538272  0.391566788652  -0.070719833970  -0.218461841197  -0.001734414579  0.000944031014  0.004846530756
  30  Al  6.105517183340  3.937414772487  6.098688290111  -0.097894112194  0.503591881697  -0.218172605401  0.000868776533  -0.002831461720  0.000427142883
  31  Al  6.177142926786  6.031692227667  4.027320769121  -0.268031479778  0.173066936050  -0.070029025828  0.002795094583  -0.000976848772  -0.001429969698


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)
  -71.806992443616  -0.196761197158  0.757805122253
  -0.196761197158  -73.234461824839  -1.722369287478
  0.757805122253  -1.722369287478  -64.919685983060
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.989741341810  8.064631079137  8.030750320207  0.341060284007  0.026169931763  -0.073675979168  -0.002566088868  -0.001095717502  -0.002934351242
  1  Al  8.055057061607  1.948572933749  1.910545551146  0.223756747144  0.216188960704  0.066569433233  -0.000597845027  -0.001886802848  -0.003806755367
  2  Al  1.958207343479  7.988276026399  1.973272585271  0.028327403596  0.463372289105  0.238505512135  -0.002029249683  -0.002823123186  -0.000921893739
  3  Al  1.949027769510  1.986225955258  8.062272206352  -0.017196629633  -0.047378415886  -0.044591940804  -0.002606209109  -0.001508488116  -0.002038062472
  4  Al  0.032230215031  8.012463650697  4.208970400760  0.162692514709  0.203695659948  -0.608645434133  0.001856322117  -0.002549240049  0.003472798309
  5  Al  0.015331709858  2.018686656531  6.135327630805  -0.014445998102  -0.081072415504  -0.257868839948  0.000477984495  -0.000542360779  0.001277562230
  6  Al  1.987422450429  8.098450056290  6.054073642264  0.081621306270  0.102192574837  0.159573228655  -0.001356377432  0.000829959344  -0.000221302692
  7  Al  2.013405122850  2.042431357262  4.123823024163  -0.047349487380  -0.129841593422  -0.151113205407  -0.000596072660  0.000079155397  0.002413483610
  8  Al  8.049616019004  4.147338974446  7.955731506438  0.001586524460  -0.271885220925  0.369455356973  -0.001753664673  0.002358106120  -0.003800185484
  9  Al  0.034935452868  6.059395369831  2.021659369660  -0.125879365818  -0.011130489170  0.057594893173  0.000928873162  -0.000584561679  0.000319146325
  10  Al  2.086494939304  3.951000033211  2.022414190597  -0.270576017521  0.361347271537  0.312702848273  0.001292557080  -0.001516859258  0.001074751507
  11  Al  2.042694878844  6.113767670441  0.138525170958  -0.110261431529  -0.085513434513  -0.222987089327  0.000017934771  0.001197281457  0.004706716636
  12  Al  8.054129021699  4.090863710738  3.965275955557  0.352956228688  -0.204754411555  0.228920231634  -0.000212427550  0.001003301461  -0.001887055353
  13  Al  0.007863770990  6.034810154249  5.978183463826  -0.092040498728  0.022833706962  0.318516759681  0.000000350124  -0.001278688835  -0.002393397172
  14  Al  1.996168178176  3.992790546932  6.109780913478  -0.040981983363  -0.000163349852  -0.269210482045  -0.001413023161  -0.002463395477  0.000262198558
  15  Al  2.116468338562  6.083910317737  3.933234356559  -0.386039478398  -0.183784645609  0.367636224098  0.001643089360  -0.000329638918  -0.003347398045
  16  Al  4.182011747768  0.138773306354  0.009966013977  -0.062394640117  -0.312807020120  0.180322275687  0.004369953759  0.004071674524  0.001275780444
  17  Al  3.913205369997  1.910165462459  2.004995784531  0.385535249429  0.228283350764  0.075303663945  -0.003163355641  -0.003183478596  -0.000604636129
  18  Al  6.160548708726  7.981184007628  1.893218250857  -0.274424216107  0.348987908566  0.327581768003  0.001636839772  -0.003458688970  -0.003534460394
  19  Al  6.104393538691  2.141927116145  7.934567092570  -0.158038839433  -0.529105874822  0.574109826778  0.000105882818  0.002254916024  -0.004431155088
  20  Al  4.081478634078  0.129913040172  4.060832984980  -0.208978487798  -0.406569169039  0.036520857590  0.000338555121  0.002926877130  0.000279889838
  21  Al  4.083888519025  1.991187038066  6.115758522749  -0.013512177252  0.204170622484  0.061153798917  0.001267601478  -0.000449196396  0.001961459392
  22  Al  6.077513781176  0.030081075567  6.098598820243  -0.074598600606  0.112968896809  0.096331172101  0.000014422452  0.001988120397  0.001263378024
  23  Al  6.171560132997  2.046227075242  4.030308308961  -0.215271030083  0.001887111405  0.150350945498  0.002409262537  0.000700200357  0.000380214523
  24  Al  4.085386279901  4.028776145279  0.131834592510  0.076981632488  -0.015685360454  -0.580129674976  0.001687843752  -0.001026415031  0.002643404785
  25  Al  4.007177929643  6.203057707365  2.141899258879  0.293614452457  -0.168839637658  -0.385077190176  -0.000658566080  0.003719117419  0.002815574914
  26  Al  6.005616701694  4.154920478728  1.940196297600  0.250134776291  -0.245613714405  0.330970427459  -0.001848197892  0.003258586851  -0.001923419517
  27  Al  6.021318063674  6.126469718157  0.109914088084  -0.008785091664  -0.227137209049  -0.638431840923  -0.001791529461  0.000968186586  0.002100086194
  28  Al  4.075890500543  4.108023556521  4.136871139504  -0.085557483029  -0.014122853404  -0.211451823366  0.000609653588  0.001982088751  0.001935517701
  29  Al  3.954897951136  6.110196315765  6.242184008366  0.392895910180  -0.071406690452  -0.217440745140  -0.001594153777  0.000918618996  0.004768592001
  30  Al  6.106368456546  3.934673352271  6.099076424046  -0.105714337670  0.537074684486  -0.235353547561  0.000832371635  -0.002645392036  0.000346053060
  31  Al  6.179890097727  6.030746323014  4.025878278334  -0.279117235489  0.177638536469  -0.056141430860  0.002697265181  -0.000914143138  -0.001452528794


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)
  -71.096718814516  -0.190228153302  0.860315808679
  -0.190228153302  -72.616623207974  -1.707632048383
  0.860315808679  -1.707632048383  -64.118537480603
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.987236234030  8.063540040780  8.027802795807  0.351733028243  0.023897203365  -0.063396489569  -0.002442218421  -0.001086765571  -0.002958859602
  1  Al  8.054499223964  1.946724785177  1.906750698297  0.225776933828  0.221556939311  0.074395806492  -0.000517469052  -0.001808534511  -0.003781550986
  2  Al  1.956183158695  7.985535753511  1.972393335974  0.021139455641  0.495045301686  0.246694229087  -0.002020405079  -0.002651759500  -0.000835140724
  3  Al  1.946418485668  1.984708995950  8.060226170905  -0.020107499453  -0.049264706160  -0.024251380909  -0.002612879034  -0.001525767767  -0.002050371559
  4  Al  0.034115626335  8.009950831139  4.212334374142  0.161282745816  0.217096693583  -0.629877361567  0.001914248427  -0.002474002982  0.003251352216
  5  Al  0.015807111429  2.018129800121  6.136559086457  -0.014933831041  -0.081549349721  -0.271159688622  0.000472731424  -0.000571437316  0.001182972690
  6  Al  1.986080666769  8.099298287520  6.053880871035  0.093968224644  0.085300082755  0.164264713237  -0.001324982277  0.000863482761  -0.000163400934
  7  Al  2.012800584169  2.042487297169  4.126209488949  -0.049487894823  -0.132208263533  -0.169762942912  -0.000613387045  0.000032301260  0.002356111416
  8  Al  8.047862638000  4.149648467880  7.951997379040  0.006103177715  -0.277411840647  0.384548820614  -0.001752289765  0.002259892596  -0.003665370622
  9  Al  0.035841818981  6.058808818036  2.021988813869  -0.132539656687  -0.009686342228  0.052431319348  0.000882668213  -0.000588283699  0.000338818853
  10  Al  2.087739117781  3.949547782325  2.023544852923  -0.283140577822  0.350657217164  0.318467173184  0.001193553350  -0.001389553880  0.001187603799
  11  Al  2.042693099030  6.114949662220  0.143192017823  -0.108852128773  -0.093309857740  -0.253276668655  -0.000021242418  0.001165308110  0.004621561362
  12  Al  8.053979702214  4.091830402405  3.963429830812  0.358974320434  -0.219410067409  0.227473359116  -0.000085135393  0.000927461463  -0.001805452836
  13  Al  0.007847664405  6.033535548048  5.975847016992  -0.092669729838  0.024506044199  0.331591511208  -0.000032675799  -0.001270224556  -0.002277158749
  14  Al  1.994747827495  3.990327122248  6.109994977590  -0.036081508955  0.018134633147  -0.278466160235  -0.001426802003  -0.002460182238  0.000164274763
  15  Al  2.118042404618  6.083547818389  3.929952691341  -0.394901529210  -0.188378912253  0.396917678157  0.001503458231  -0.000396181226  -0.003210696908
  16  Al  4.186370545455  0.142789051433  0.011274035784  -0.069903326329  -0.335954903064  0.174168051474  0.004346299073  0.003955676826  0.001339162804
  17  Al  3.910110947504  1.907022800598  2.004404612588  0.385905161324  0.235674417688  0.085456513236  -0.003025423205  -0.003100523614  -0.000575892441
  18  Al  6.162136481843  7.977787717194  1.889742361611  -0.265100501349  0.379165648658  0.343688677998  0.001540373529  -0.003328496162  -0.003414438205
  19  Al  6.104471164392  2.144087428800  7.930238587493  -0.146495554795  -0.546538507591  0.615288757191  0.000051432507  0.002062592356  -0.004218492333
  20  Al  4.081779824146  0.132767223320  4.061119404695  -0.215954182840  -0.413519833664  0.045413123522  0.000262577771  0.002780246397  0.000294539516
  21  Al  4.085153704546  1.990774347083  6.117730916353  -0.022822921470  0.207670071333  0.048244600186  0.001261104815  -0.000375559873  0.001981019669
  22  Al  6.077514865506  0.032089394640  6.099879422143  -0.080065003427  0.095908728654  0.091648334252  -0.000013231178  0.002025467416  0.001296988490
  23  Al  6.173930905384  2.046927613013  4.030715406017  -0.211821679029  0.002174230917  0.136132216087  0.002332898975  0.000700926520  0.000431437300
  24  Al  4.087087887858  4.027746925728  0.134374270944  0.067381818019  -0.006879184716  -0.597786229998  0.001713655729  -0.001030449539  0.002432795116
  25  Al  4.006571861404  6.206746636500  2.144645982545  0.304895815699  -0.168956123673  -0.398598267533  -0.000551553305  0.003658720023  0.002675454870
  26  Al  6.003813227540  4.158135150200  1.938332055119  0.270887060450  -0.268604491246  0.347445911568  -0.001755039937  0.003166645376  -0.001802119652
  27  Al  6.019524963452  6.127397292938  0.111900023584  -0.008081666526  -0.231957188677  -0.673692142571  -0.001794545213  0.000886101169  0.001865480315
  28  Al  4.076484856577  4.110003120127  4.138768849923  -0.091267262547  -0.016372286269  -0.208305353501  0.000578037578  0.001976636264  0.001860465722
  29  Al  3.953374046583  6.111102167348  6.246913722275  0.389901735492  -0.070387139688  -0.218065438766  -0.001454190685  0.000893266463  0.004690724123
  30  Al  6.107181926610  3.932123988416  6.099380396230  -0.108844360737  0.569826037959  -0.254292853577  0.000794008848  -0.002447479780  0.000258504988
  31  Al  6.182537457147  6.029863941390  4.024415711533  -0.284878661652  0.183775747860  -0.043339817541  0.002596423526  -0.000849522785  -0.001470315898


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)
  -70.393465528677  -0.182446317448  0.972906526859
  -0.182446317448  -71.997671659238  -1.679573652175
  0.972906526859  -1.679573652175  -63.346582363210
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.984856904969  8.062457547995  8.024832601004  0.357487365918  0.023434431581  -0.053256234828  -0.002315410835  -0.001078302743  -0.002979716941
  1  Al  8.054022123503  1.944955864728  1.902982449175  0.222691286301  0.228779688467  0.078532249779  -0.000437283580  -0.001728014970  -0.003754207669
  2  Al  1.954166533320  7.982972507398  1.971602303824  0.018633111227  0.527161185715  0.251630926298  -0.002013293802  -0.002468990452  -0.000746040903
  3  Al  1.943802011442  1.983174419724  8.058171463234  -0.018021723343  -0.049406166866  -0.004436123900  -0.002619696484  -0.001543409977  -0.002055500844
  4  Al  0.036058711885  8.007515644733  4.215473105192  0.155349506110  0.231424559711  -0.648750402577  0.001970861818  -0.002393808027  0.003022735412
  5  Al  0.016277172706  2.017543781898  6.137693576185  -0.020667685315  -0.080222586520  -0.280921194107  0.000466365924  -0.000600361906  0.001084261423
  6  Al  1.984772485875  0.000180774070  6.053746840395  0.110452839940  0.070145665818  0.171971678755  -0.001288432085  0.000891276238  -0.000103282351
  7  Al  2.012178348760  2.042495959782  4.128535246995  -0.046478955578  -0.132944858964  -0.187140515300  -0.000630545780  -0.000015107736  0.002292297591
  8  Al  8.046111439475  4.151858759638  7.948400765193  0.006075559302  -0.284988050516  0.398722328886  -0.001750112224  0.002159336305  -0.003525322868
  9  Al  0.036700789294  6.058218802433  2.022337007367  -0.143510833562  -0.009782123171  0.044377728285  0.000833310783  -0.000591764632  0.000356128172
  10  Al  2.088882046004  3.948220925451  2.024789398194  -0.290124002178  0.337739291526  0.320366834809  0.001091054468  -0.001266469575  0.001301826400
  11  Al  2.042652394008  6.116098286661  0.147768293681  -0.102713839610  -0.102530036015  -0.284526164092  -0.000059070109  0.001130292219  0.004525402990
  12  Al  8.053958750913  4.092718633663  3.961665049885  0.359237356320  -0.235026556145  0.226410598641  0.000043279821  0.000846208848  -0.001724299038
  13  Al  0.007798419391  6.032269705138  5.973629146327  -0.097385472432  0.024569155308  0.347050399209  -0.000066657396  -0.001261449981  -0.002155818552
  14  Al  1.993314574171  3.987870182456  6.110109463005  -0.026610974665  0.034803912671  -0.283990235429  -0.001438011329  -0.002450716902  0.000063708369
  15  Al  2.119475255025  6.083117955284  3.926812962742  -0.398676361855  -0.194208544912  0.425377284679  0.001361567647  -0.000464587313  -0.003063671752
  16  Al  4.190704345913  0.146684660006  0.012644339585  -0.074061327235  -0.356543136240  0.166918625330  0.004320558400  0.003831859173  0.001400148611
  17  Al  3.907154523586  1.903964415230  2.003843999648  0.390389187399  0.244790319012  0.092287432518  -0.002886622893  -0.003014617211  -0.000544112079
  18  Al  6.163629455784  7.974527015304  1.886389374447  -0.259989699704  0.410023129532  0.355946095107  0.001446488157  -0.003187390345  -0.003289344514
  19  Al  6.104496403705  2.146052300858  7.926130107904  -0.138790038343  -0.561258332600  0.654938726047  0.000000423853  0.001864519876  -0.003991377487
  20  Al  4.082003789620  0.135473532965  4.061422064012  -0.218337126579  -0.417573941409  0.054832434097  0.000184927110  0.002631648026  0.000312463278
  21  Al  4.086410728655  1.990435918320  6.119720562087  -0.027850482407  0.212584331470  0.038023244998  0.001252044483  -0.000300418991  0.001996444235
  22  Al  6.077487318821  0.034132010399  6.101192797222  -0.089631866472  0.081153779469  0.089414120037  -0.000043572734  0.002057125937  0.001329362196
  23  Al  6.176225930948  2.047628928282  4.031171183562  -0.213135126028  0.004275906557  0.123263958806  0.002256917310  0.000702079795  0.000477816963
  24  Al  4.088813591359  4.026715246200  0.136700182742  0.061441452702  -0.000373930948  -0.615343681296  0.001736689144  -0.001031746386  0.002215889234
  25  Al  4.006074823032  6.210375147411  2.147250168619  0.320193972870  -0.169939042446  -0.414276750346  -0.000439788151  0.003598126055  0.002530113987
  26  Al  6.002106621819  4.161253769480  1.936592058296  0.287308572714  -0.292758912332  0.360260487499  -0.001655235361  0.003066274407  -0.001675582766
  27  Al  6.017728973249  6.128241920495  0.113645048713  -0.011218558424  -0.238119015542  -0.708281335025  -0.001797996065  0.000802052220  0.001618385446
  28  Al  4.077046575700  4.111976829049  4.140592070948  -0.092411307498  -0.020900606918  -0.203969562430  0.000545196115  0.001969971924  0.001786751560
  29  Al  3.951989569767  6.111982848692  6.251565456611  0.390790169309  -0.071035568234  -0.215489011586  -0.001314604096  0.000867980287  0.004613205211
  30  Al  6.107956474243  3.929778392711  6.099593434022  -0.115905301925  0.599311992026  -0.269734931195  0.000753823932  -0.002238439583  0.000164809574
  31  Al  6.185082944779  6.029047277445  4.022937646538  -0.294529696960  0.187414060914  -0.030209011667  0.002492826145  -0.000783154581  -0.001483466323


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)
  -69.706772437444  -0.175915656470  1.090339651418
  -0.175915656470  -71.380736742537  -1.637264185157
  1.090339651418  -1.637264185157  -62.598516401287
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.982605412360  8.061383435295  8.021843361925  0.367476074419  0.020500571075  -0.042048522895  -0.002185788415  -0.001070447227  -0.002996757294
  1  Al  8.053624656804  1.943268755237  1.899242282959  0.223473448078  0.234547346609  0.086056299520  -0.000357509968  -0.001645172763  -0.003724779473
  2  Al  1.952156571092  7.980597772608  1.970901254168  0.012630011342  0.555759808866  0.259140872074  -0.002007704000  -0.002275365736  -0.000654715641
  3  Al  1.941179092700  1.981622175996  8.056115169218  -0.019016093031  -0.050484870305  0.016132152827  -0.002626318792  -0.001561270351  -0.002053409610
  4  Al  0.038057349971  8.005163215084  4.218379844966  0.152545733688  0.243099065748  -0.667662213727  0.002025913044  -0.002308963886  0.002787362731
  5  Al  0.016739843277  2.016929076310  6.138727609303  -0.022775883649  -0.079406982279  -0.293518911217  0.000458598276  -0.000628903443  0.000981552359
  6  Al  1.983503802599  0.001084592251  6.053674306332  0.123229326939  0.052656693988  0.176566618881  -0.001246650050  0.000913233123  -0.000040964205
  7  Al  2.011539492610  2.042457081696  4.130794084131  -0.047293670812  -0.134319292791  -0.204917330902  -0.000647312190  -0.000062894182  0.002222198213
  8  Al  8.044362413552  4.153967140489  7.944946733303  0.010756809195  -0.289823043488  0.412724264963  -0.001747102621  0.002056560908  -0.003380237385
  9  Al  0.037508440546  6.057625288771  2.022701070212  -0.150143527990  -0.008649473362  0.039080100948  0.000780805806  -0.000595060175  0.000371050311
  10  Al  2.089921226718  3.947014843175  2.026148505723  -0.300154534255  0.327044098149  0.324136238452  0.000985513515  -0.001147607262  0.001417062622
  11  Al  2.042574958812  6.117210246657  0.152242823802  -0.100251393533  -0.110882934817  -0.313846611690  -0.000095360001  0.001092134287  0.004418414798
  12  Al  8.054066261857  4.093522820102  3.959981232736  0.362959728268  -0.248008728760  0.224779022102  0.000172407621  0.000759842835  -0.001643626983
  13  Al  0.007714349613  6.031012648087  5.971535379887  -0.097765224119  0.026028044506  0.358875794886  -0.000101550059  -0.001252403274  -0.002029599965
  14  Al  1.991871804838  3.985425688444  6.110122394328  -0.021186015569  0.053540256096  -0.292188230455  -0.001446557362  -0.002434921092  -0.000039311511
  15  Al  2.120765539912  6.082618643763  3.923825347836  -0.405754454674  -0.198783048922  0.452136582532  0.001217736574  -0.000534853644  -0.002906773536
  16  Al  4.195011662255  0.150452769779  0.014074333006  -0.082667749283  -0.379156134769  0.159963882496  0.004292535467  0.003700317202  0.001458594733
  17  Al  3.904337701718  1.900993566176  2.003316388429  0.389663329441  0.253001664723  0.102007506687  -0.002747150626  -0.002925612721  -0.000509372424
  18  Al  6.165029458157  7.971412936504  1.883163672583  -0.249923010924  0.437957098252  0.371094302208  0.001355316498  -0.003035772700  -0.003159350738
  19  Al  6.104472012099  2.147816468551  7.922255832519  -0.126786340205  -0.575390341915  0.693216259400  -0.000047060821  0.001661288729  -0.003750329316
  20  Al  4.082149678365  0.138030519372  4.061744331250  -0.224305562721  -0.423746673135  0.063501712074  0.000105783234  0.002481221111  0.000333621253
  21  Al  4.087657793513  1.990173509101  6.121723804823  -0.037279264964  0.215936822747  0.024739994123  0.001240399378  -0.000223800025  0.002007666212
  22  Al  6.077427720038  0.036203646515  6.102538146534  -0.095047003311  0.064047571911  0.083418139873  -0.000076593050  0.002083087730  0.001360264355
  23  Al  6.178444740004  2.048331772602  4.031671039944  -0.209810967034  0.005428592300  0.109589052450  0.002181295158  0.000703814945  0.000519450746
  24  Al  4.090561266146  4.025683432956  0.138806049412  0.050806330667  0.008396284288  -0.630215683024  0.001756758887  -0.001030312001  0.001993185012
  25  Al  4.005692285103  6.213942888609  2.149706210519  0.329887696965  -0.170145329313  -0.426272128334  -0.000323554484  0.003537319459  0.002379825057
  26  Al  6.000502756817  4.164267699015  1.934980889586  0.306470385736  -0.313885129626  0.375745248469  -0.001549068538  0.002957807326  -0.001543986000
  27  Al  6.015928971322  6.129001397378  0.115136794476  -0.010372491237  -0.242949433424  -0.740182050685  -0.001801856514  0.000716037874  0.001359402277
  28  Al  4.077575248806  4.113943063975  4.142342353044  -0.097609255852  -0.023012730139  -0.200749643438  0.000511220711  0.001962120283  0.001714388349
  29  Al  3.950744838391  6.112838127921  6.256140132696  0.386296820070  -0.070496586962  -0.215954753745  -0.001175662061  0.000842674541  0.004536063687
  30  Al  6.108689574474  3.927647109250  6.099710015378  -0.118548642333  0.629130136813  -0.287430061078  0.000711903904  -0.002018795898  0.000065189275
  31  Al  6.187523109438  6.028297632228  4.021448778887  -0.299504609312  0.192066677937  -0.017917903778  0.002386613666  -0.000715303971  -0.001492071346


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)
  -69.034929499659  -0.167985530263  1.217158004714
  -0.167985530263  -70.768375910511  -1.581275576232
  1.217158004714  -1.581275576232  -61.886003888132
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.980485328138  8.060316653540  8.018839086415  0.373551123157  0.019425867169  -0.031334079782  -0.002053293819  -0.001063308438  -0.003009877998
  1  Al  8.053307103568  1.941665519202  1.895532890228  0.220373691708  0.241247186058  0.090137733925  -0.000278150738  -0.001560101385  -0.003693276234
  2  Al  1.950151125319  7.978421775926  1.970292872542  0.011038248198  0.584463094945  0.263125886444  -0.002003472150  -0.002071495522  -0.000561335096
  3  Al  1.938549373857  1.980051879023  8.054064644014  -0.015281759662  -0.050095914090  0.035202280714  -0.002632451199  -0.001579254050  -0.002044231088
  4  Al  0.040110537972  8.002897716961  4.221047830654  0.146159832398  0.255752600735  -0.683772413546  0.002079321169  -0.002219769926  0.002545728165
  5  Al  0.017194369258  2.016285975013  6.139656680903  -0.028642488562  -0.077189230659  -0.302458119453  0.000449404745  -0.000656902620  0.000874992524
  6  Al  1.982279185776  0.002007240315  6.053664911984  0.139971304491  0.037196570646  0.184093742469  -0.001199590156  0.000929298757  0.000023521348
  7  Al  2.010883724379  2.042370171418  4.132979643420  -0.043477470831  -0.134516700356  -0.220416708838  -0.000663541940  -0.000110961671  0.002146149099
  8  Al  8.042617234233  4.155971881455  7.941640290423  0.012430885010  -0.296577054887  0.425101802447  -0.001742956695  0.001951713415  -0.003230435290
  9  Al  0.038262400905  6.057028682082  2.023079107990  -0.159636994027  -0.008413201968  0.030752727835  0.000725417494  -0.000598110957  0.000383536321
  10  Al  2.090853073035  3.945925710927  2.027623523438  -0.304780387930  0.314451498097  0.323628954581  0.000877352022  -0.001032908772  0.001532882106
  11  Al  2.042461674006  6.118282555235  0.156605123278  -0.093246680093  -0.120171893004  -0.343991571548  -0.000129957178  0.001050822016  0.004300794278
  12  Al  8.054303566155  4.094238319333  3.958377795919  0.362278383146  -0.261912200430  0.224269827231  0.000302079151  0.000668669707  -0.001563337695
  13  Al  0.007595319272  6.029764898589  5.969569946398  -0.101093759928  0.026419163914  0.372929874699  -0.000137105760  -0.001243025789  -0.001898754164
  14  Al  1.990421459448  3.983000340273  6.110030839982  -0.011667973309  0.070121139798  -0.296454508830  -0.001452431608  -0.002412810612  -0.000144559986
  15  Al  2.121910728174  6.082048247995  3.920999415671  -0.408077640654  -0.203965948473  0.478329903520  0.001072224567  -0.000606864586  -0.002740407467
  16  Al  4.199289416847  0.154085294410  0.015561529050  -0.089204374909  -0.399211027679  0.151353363129  0.004261804978  0.003561146274  0.001514257808
  17  Al  3.901660222334  1.898113189789  2.002825254800  0.392026323250  0.262417908351  0.108233753952  -0.002607385641  -0.002833456443  -0.000471781589
  18  Al  6.166340088780  7.968455469903  1.880070672972  -0.243635584145  0.466287054796  0.382371207500  0.001267068932  -0.002874095147  -0.003024632189
  19  Al  6.104402282063  2.149374878315  7.918629449272  -0.118432857551  -0.587265220631  0.728721249782  -0.000090905661  0.001453407588  -0.003496088936
  20  Al  4.082215356088  0.140435975187  4.062089306518  -0.226737305410  -0.427277639396  0.073234612586  0.000025137418  0.002329059189  0.000358069511
  21  Al  4.088891527412  1.989988318269  6.123735894511  -0.043943975731  0.220088717167  0.014598883694  0.001225876780  -0.000145839286  0.002014699947
  22  Al  6.077334132721  0.038298185859  6.103913325932  -0.104253744656  0.049164208689  0.079881054409  -0.000112227737  0.002103329834  0.001389462016
  23  Al  6.180588521263  2.049036558172  4.032210085055  -0.210658364194  0.007511713444  0.097634257775  0.002106115846  0.000706128653  0.000556501976
  24  Al  4.092327109132  4.024654622199  0.140686552767  0.042501112584  0.014914137953  -0.645235129868  0.001773442123  -0.001026144131  0.001765136243
  25  Al  4.005427714064  6.217449786328  2.152009818733  0.342058695406  -0.170845419192  -0.440650112617  -0.000203411436  0.003476350804  0.002224820608
  26  Al  5.999008484743  4.167169384131  1.933504086296  0.321012451853  -0.335780622344  0.387383349066  -0.001436875510  0.002841648024  -0.001407539705
  27  Al  6.014125260221  6.129673996243  0.116363853268  -0.013201573866  -0.248283066975  -0.771495212540  -0.001806071523  0.000628206210  0.001089116559
  28  Al  4.078069017122  4.115901069615  4.144020847645  -0.099443947043  -0.027372337570  -0.195981626004  0.000475987882  0.001953111505  0.001643453369
  29  Al  3.949638245646  6.113668197774  6.260637583984  0.384693593093  -0.070816809781  -0.213266514225  -0.001037810084  0.000817407909  0.004459319542
  30  Al  6.109380282051  3.925740800915  6.099723812573  -0.124781622074  0.655259044839  -0.301151289017  0.000668396803  -0.001789148961  -0.000040048223
  31  Al  6.189856172111  6.027616669503  4.019953503846  -0.307897139716  0.194974380835  -0.004777179491  0.002278011108  -0.000646101587  -0.001496129194


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)
  -68.388817964464  -0.161404114646  1.348189336783
  -0.161404114646  -70.165552684766  -1.511319571541
  1.348189336783  -1.511319571541  -61.202981242044
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.978498824722  8.059256818420  8.015823605928  0.382224804056  0.015999923658  -0.019607460702  -0.001918162171  -0.001056974357  -0.003018986272
  1  Al  8.053068355329  1.940148552467  1.891855730491  0.219720566161  0.246409257123  0.098205372418  -0.000199462518  -0.001472909115  -0.003659600758
  2  Al  1.948149626792  7.976454781563  1.969778583975  0.006051672637  0.609239477302  0.270341693832  -0.002000416496  -0.001858063221  -0.000465951861
  3  Al  1.935914190301  1.978463667895  8.052026707043  -0.014723639256  -0.050834210469  0.055079549247  -0.002637816121  -0.001597300211  -0.002028088826
  4  Al  0.042215992309  8.000723675232  4.223471301296  0.141346132970  0.265755359829  -0.699893193247  0.002130726822  -0.002126525053  0.002298330746
  5  Al  0.017638652768  2.015615271069  6.140477594350  -0.032349312210  -0.076030484400  -0.314963096381  0.000438499499  -0.000684298085  0.000764598499
  6  Al  1.981104622288  0.002943189766  6.053721349028  0.152502482654  0.019831587690  0.187790960301  -0.001147296264  0.000939495310  0.000090013798
  7  Al  2.010212408730  2.042235158355  4.135086382329  -0.043882802400  -0.135706556282  -0.236486879748  -0.000679161831  -0.000159277200  0.002064455395
  8  Al  8.040876500163  4.157870567319  7.938485862723  0.017477147943  -0.300691563732  0.437674500831  -0.001737609181  0.001844922645  -0.003076172129
  9  Al  0.038959275535  6.056429066857  2.023468142854  -0.166258100186  -0.006814705804  0.025997300447  0.000667147920  -0.000600833685  0.000393683144
  10  Al  2.091675930762  3.944949025630  2.029214269935  -0.312834140779  0.304111650911  0.325537807818  0.000766923433  -0.000922310572  0.001648952189
  11  Al  2.042315044456  6.119311890690  0.160844412359  -0.090100727578  -0.128150906416  -0.371412653182  -0.000162739430  0.001006422257  0.004172881032
  12  Al  8.054670420159  4.094860159515  3.956854557346  0.363768164184  -0.273174116109  0.222810657852  0.000431895229  0.000572997043  -0.001483400348
  13  Al  0.007440138094  6.028526596509  5.967737871558  -0.101614949987  0.028759056462  0.382519764483  -0.000173349785  -0.001233160003  -0.001763680856
  14  Al  1.988966941623  3.980600067220  6.109833274357  -0.006585537959  0.088357570687  -0.303795602992  -0.001455695309  -0.002384474847  -0.000251883842
  15  Al  2.122909989046  6.081404914592  3.918344532902  -0.413883003009  -0.207407069843  0.501983543686  0.000925259187  -0.000680417489  -0.002565128834
  16  Al  4.203535272211  0.157575062327  0.017102848622  -0.098456858201  -0.421053211734  0.143507460925  0.004228251420  0.003414484209  0.001566978499
  17  Al  3.899122930435  1.895326653290  2.002372825250  0.390566907855  0.270165389470  0.117592394452  -0.002467459098  -0.002738231316  -0.000431404199
  18  Al  6.167563596020  7.965664746210  1.877114408205  -0.232704079638  0.491253969763  0.396836970220  0.001181900085  -0.002702888190  -0.002885310888
  19  Al  6.104290200778  2.150723283727  7.915263654647  -0.105843494225  -0.598820312753  0.762580655137  -0.000131005949  0.001241337201  -0.003229446302
  20  Al  4.082199953202  0.142688637749  4.062460470272  -0.231081022934  -0.432824514835  0.081788643524  -0.000056719840  0.002175274162  0.000385787446
  21  Al  4.090109547072  1.989881830529  6.125753204717  -0.053311444022  0.221991031299  0.001033483218  0.001208487651  -0.000066796063  0.002017494992
  22  Al  6.077203264565  0.040410306182  6.105317070566  -0.109073204451  0.032290989867  0.071946046257  -0.000150370288  0.002117893906  0.001416608483
  23  Al  6.182656971697  2.049744029909  4.032784043896  -0.206645912125  0.007834058373  0.085017301484  0.002031502442  0.000708872455  0.000589159812
  24  Al  4.094108150393  4.023631144694  0.142336321897  0.031031696524  0.023464772088  -0.657123752262  0.001786589684  -0.001019282037  0.001532276349
  25  Al  4.005285462230  6.220895590217  2.154155851736  0.349905704189  -0.170035194005  -0.450805256874  -0.000079689197  0.003415401841  0.002065429671
  26  Al  5.997629005797  4.169950995064  1.932165810176  0.338784813403  -0.354270456890  0.401693182505  -0.001318904709  0.002718267885  -0.001266453957
  27  Al  6.012316828276  6.130257809798  0.117315027593  -0.011846997514  -0.251653853112  -0.799086877593  -0.001810550171  0.000538818208  0.000808298741
  28  Al  4.078527224570  4.117849286985  4.145629259781  -0.104198152857  -0.029345974336  -0.192633259550  0.000439576968  0.001942970353  0.001573969586
  29  Al  3.948669218222  6.114472943740  6.265058771780  0.379283147552  -0.069360039965  -0.213973306921  -0.000901212143  0.000792344490  0.004382929677
  30  Al  6.110026368080  3.924068811327  6.099629918933  -0.126159587025  0.681045219126  -0.317111836382  0.000623528876  -0.001550219682  -0.000150592780
  31  Al  6.192079131654  6.027005429054  4.018456520499  -0.311110273772  0.199663857038  0.006955887199  0.002167333473  -0.000575540838  -0.001495739644


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)
  -67.765579543239  -0.152799982290  1.487897297115
  -0.152799982290  -69.573809187257  -1.427218532496
  1.487897297115  -1.427218532496  -60.562968031315
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.976649003796  8.058202704826  8.012801113870  0.386976522164  0.015879001561  -0.008862726312  -0.001780630081  -0.001051274451  -0.003024076701
  1  Al  8.052908178532  1.938719700972  1.888213688713  0.215224716301  0.252130874405  0.102825165959  -0.000121694927  -0.001383770857  -0.003623656787
  2  Al  1.946150292326  7.974705649484  1.969360968820  0.004474005395  0.635262255856  0.274316853929  -0.001998534520  -0.001635548102  -0.000368567696
  3  Al  1.933273741614  1.976857278601  8.050008466361  -0.010465395424  -0.050607413542  0.072830218369  -0.002642319884  -0.001615437827  -0.002005218744
  4  Al  0.044371991616  7.998644666854  4.225644492146  0.133140651666  0.277941407757  -0.712580199475  0.002179804664  -0.002029312854  0.002045782536
  5  Al  0.018071368257  2.014917378844  6.141185877901  -0.040084756865  -0.073923696178  -0.323947293174  0.000425548392  -0.000711109676  0.000650362241
  6  Al  1.979984593249  0.003886230935  6.053844939580  0.167866305408  0.006052141323  0.193998407939  -0.001090014785  0.000944123283  0.000158277187
  7  Al  2.009525400717  2.042051617018  4.137108554210  -0.040539688640  -0.136478756857  -0.249609127793  -0.000694256451  -0.000207943542  0.001977542128
  8  Al  8.039142015870  4.159661726745  7.935487946165  0.019369392808  -0.308158079276  0.447955899495  -0.001731021073  0.001736061206  -0.002917822688
  9  Al  0.039596696746  6.055827014712  2.023866474278  -0.175741012282  -0.005510728121  0.018555804843  0.000605998971  -0.000603037455  0.000401649175
  10  Al  2.092386919901  3.944081089784  2.030921427816  -0.316327510422  0.290529480364  0.323383530227  0.000654430236  -0.000815989593  0.001764978390
  11  Al  2.042136195146  6.120295399749  0.164950885343  -0.083598790067  -0.136363529463  -0.399963626723  -0.000193796654  0.000959127457  0.004034960064
  12  Al  8.055167356612  4.095384313419  3.955410995223  0.360468581128  -0.286522945564  0.223169328224  0.000561387716  0.000472924014  -0.001403659768
  13  Al  0.007248619702  6.027298578584  5.966042584685  -0.105101363749  0.030426928445  0.393974840884  -0.000210310365  -0.001222577634  -0.001624844738
  14  Al  1.987510068830  3.978231390579  6.109527072298  0.001671732140  0.103034051487  -0.307391178057  -0.001456573890  -0.002350254300  -0.000361163159
  15  Al  2.123761246548  6.080687413017  3.915869158003  -0.415767669468  -0.210786012470  0.525441615943  0.000776918841  -0.000755189810  -0.002381426694
  16  Al  4.207745919687  0.160914262827  0.018695486049  -0.105539180905  -0.438791596390  0.133492701997  0.004191777222  0.003260745194  0.001616505730
  17  Al  3.896725304139  1.892636727157  2.001962446402  0.392229623015  0.278806773633  0.123841684199  -0.002327496205  -0.002640075883  -0.000388236133
  18  Al  6.168703888951  7.963049693522  1.874300051196  -0.224613927644  0.517662138756  0.407294698292  0.001100132284  -0.002522495442  -0.002741533303
  19  Al  6.104140270164  2.151857552718  7.912170556669  -0.095895463185  -0.608419309043  0.792565928983  -0.000167076585  0.001025484495  -0.002951388331
  20  Al  4.082101916408  0.144786523511  4.062860881410  -0.231911457258  -0.434331039733  0.091845511102  -0.000139502229  0.002020227997  0.000416832983
  21  Al  4.091308502714  1.989854726143  6.127770884494  -0.059611574923  0.224333339363  -0.009689985495  0.001188297177  0.000013006092  0.002015947221
  22  Al  6.077033392145  0.042533973671  6.106746542899  -0.116608577925  0.019351855847  0.066291421680  -0.000190721866  0.002127127572  0.001441325143
  23  Al  6.184651526148  2.050454303083  4.033388404679  -0.206167780151  0.008976385773  0.074881338024  0.001957691948  0.000711878139  0.000617749459
  24  Al  4.095900288499  4.022616058125  0.143751105466  0.022068920987  0.028224682989  -0.669627951913  0.001796083997  -0.001010040037  0.001295055054
  25  Al  4.005268335669  6.224280590009  2.156140678076  0.360091669842  -0.169189106027  -0.462646830858  0.000047257311  0.003354749024  0.001902105753
  26  Al  5.996370675325  4.172605919900  1.930971178382  0.352737331281  -0.374895694393  0.412579890140  -0.001195261545  0.002587894026  -0.001120863104
  27  Al  6.010504159879  6.130751632659  0.117980450751  -0.012917538290  -0.254800266754  -0.826159233069  -0.001814978034  0.000448264940  0.000517707076
  28  Al  4.078948171058  4.119787010320  4.147168786818  -0.105035589949  -0.034960251222  -0.187257679581  0.000402166276  0.001931472492  0.001506045633
  29  Al  3.947835821360  6.115252886755  6.269403443337  0.376648748921  -0.068517349340  -0.212092150417  -0.000766052608  0.000767692212  0.004306749786
  30  Al  6.110627339804  3.922640361550  6.099422627013  -0.130174454171  0.701066401393  -0.329367271873  0.000577696719  -0.001303100114  -0.000266182314
  31  Al  6.194190839058  6.026465587827  4.016962024557  -0.316866469742  0.202578055423  0.019950414511  0.002055052135  -0.000503620563  -0.001490928836


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)
  -67.173910096619  -0.144989717548  1.629985381046
  -0.144989717548  -68.997536590273  -1.329252536175
  1.629985381046  -1.329252536175  -59.959210678910
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.974937564560  8.057154269517  8.009775452527  0.394007236551  0.012018095223  0.003770641838  -0.001640991309  -0.001046286491  -0.003024987158
  1  Al  8.052824965474  1.937381010752  1.884608416918  0.212945270762  0.257330714273  0.110832449899  -0.000045138750  -0.001292679858  -0.003585455112
  2  Al  1.944152557752  7.973183685360  1.969041448583  0.000641364990  0.655547842884  0.280727003050  -0.001997619899  -0.001404753114  -0.000269326654
  3  Al  1.930629550532  1.975232792241  8.048016269555  -0.008375583470  -0.050311715447  0.092234545187  -0.002645688624  -0.001633482022  -0.001975705402
  4  Al  0.046575601637  7.996665049524  4.227562866368  0.126132360600  0.285886724470  -0.726114887483  0.002226162305  -0.001928501195  0.001788545925
  5  Al  0.018489749552  2.014193051717  6.141778318832  -0.046002324971  -0.071718693993  -0.335564488704  0.000410156146  -0.000737150326  0.000532442483
  6  Al  1.978924592717  0.004831436332  6.054037903403  0.179963797635  -0.011047557638  0.196989128357  -0.001027823264  0.000943230110  0.000228185196
  7  Al  2.008823895828  2.041819271270  4.139041466585  -0.040253102633  -0.136982752159  -0.264265771482  -0.000708702086  -0.000256838067  0.001885662036
  8  Al  8.037414458017  4.161342689730  7.932650217347  0.024294849191  -0.311708199828  0.459382441527  -0.001723213969  0.001625230007  -0.002755591899
  9  Al  0.040171273477  6.055222991947  2.024271441204  -0.182539903557  -0.003963751090  0.013985746856  0.000541938859  -0.000604731478  0.000407467558
  10  Al  2.092984791233  3.943317046443  2.032744226715  -0.321856419406  0.280834925037  0.322904936455  0.000540323867  -0.000713830460  0.001880533838
  11  Al  2.041927451148  6.121230145603  0.168914332486  -0.079919546227  -0.144323093567  -0.424596792996  -0.000223033497  0.000908941092  0.003887529848
  12  Al  8.055793195592  4.095806007543  3.954047237810  0.358998205141  -0.295723926402  0.221598376857  0.000690027342  0.000368819112  -0.001324135943
  13  Al  0.007019517365  6.026081441242  5.964488182081  -0.106088392410  0.033074771509  0.401433206261  -0.000248070789  -0.001211223621  -0.001482626924
  14  Al  1.986053793842  3.975899558619  6.109110948040  0.006596692962  0.120765292751  -0.313261206562  -0.001455095508  -0.002310239300  -0.000472134912
  15  Al  2.124463826728  6.079894534971  3.913581679513  -0.419707149753  -0.213542467977  0.545038972589  0.000627537146  -0.000831059132  -0.002190026306
  16  Al  4.211918826655  0.164096552716  0.020335860081  -0.115207875707  -0.459401204961  0.125246631416  0.004152307966  0.003100149614  0.001662767950
  17  Al  3.894467938026  1.890046501524  2.001596352984  0.390551116394  0.286939767620  0.132434817576  -0.002187536135  -0.002538921216  -0.000342414263
  18  Al  6.169763860588  7.960619755326  1.871631341599  -0.213091121581  0.538764999628  0.420328574281  0.001021871251  -0.002333607790  -0.002593555453
  19  Al  6.103956047608  2.152774252716  7.909360877985  -0.082866742696  -0.616116547494  0.821427224980  -0.000199039010  0.000806539246  -0.002662808678
  20  Al  4.081920948744  0.146729093742  4.063294136238  -0.234328433067  -0.439331425139  0.099654537969  -0.000222865250  0.001864018405  0.000451072916
  21  Al  4.092486141427  1.989907842712  6.129785099160  -0.068185033098  0.225597457303  -0.023017111006  0.001165447328  0.000093453070  0.002010099240
  22  Al  6.076821820833  0.044664561327  6.108199720853  -0.120739109120  0.003100137953  0.056874023127  -0.000233159291  0.002131141956  0.001463346948
  23  Al  6.186572355594  2.051167786186  4.034019542813  -0.202003466155  0.009442664789  0.063245354836  0.001884711517  0.000715171438  0.000642446312
  24  Al  4.097700318388  4.021611064621  0.144926432006  0.010336922979  0.036440468446  -0.677803028350  0.001801878116  -0.000998478001  0.001054136334
  25  Al  4.005379976852  6.227605088265  2.157960063241  0.366137080285  -0.168420239575  -0.470802675278  0.000177105966  0.003294384959  0.001735206325
  26  Al  5.995238482708  4.175126783116  1.929924083968  0.368435102570  -0.390406155172  0.425272115746  -0.001066316951  0.002451059157  -0.000971056371
  27  Al  6.008686872207  6.131154339678  0.118350441745  -0.010869665432  -0.257157486009  -0.848123956128  -0.001819231152  0.000356727631  0.000218347652
  28  Al  4.079331557122  4.121712231969  4.148641351048  -0.108528310310  -0.036686191097  -0.184417743173  0.000363981358  0.001918662211  0.001439590603
  29  Al  3.947137113007  6.116008328163  6.273672271352  0.370694885539  -0.067041891727  -0.213014353949  -0.000632428642  0.000743454414  0.004230741355
  30  Al  6.111181761518  3.921462611100  6.099097554305  -0.130482693926  0.721954502100  -0.342855727378  0.000531091596  -0.001048666024  -0.000386374819
  31  Al  6.196189235925  6.025998187928  4.015474662826  -0.318690012077  0.206184935289  0.030457013682  0.001941415551  -0.000430534329  -0.001481916061


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)
  -66.610167782921  -0.136073094259  1.778598531413
  -0.136073094259  -68.439453221351  -1.216827829202
  1.778598531413  -1.216827829202  -59.404227323579
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.973367021178  8.056110131845  8.006751139554  0.398970230040  0.010544595776  0.015433883598  -0.001499208079  -0.001042252314  -0.003021553417
  1  Al  8.052817901032  1.936134341255  1.881042778488  0.208322231878  0.263088168474  0.115594079667  0.000030183273  -0.001199629711  -0.003544970375
  2  Al  1.942155052527  7.971896143256  1.968822315513  0.000362308241  0.675645014603  0.283854094408  -0.001997440444  -0.001166737747  -0.000168380366
  3  Al  1.927982364366  1.973590314556  8.046057055557  -0.002595502986  -0.048911228217  0.109297360192  -0.002647650239  -0.001651222942  -0.001939671787
  4  Al  0.048824316226  7.994787664463  4.229221583997  0.117293144334  0.294927824307  -0.736231324517  0.002269686435  -0.001824652390  0.001527080527
  5  Al  0.018891680548  2.013443078191  6.142250762868  -0.053849508059  -0.068570937665  -0.343790806129  0.000392302782  -0.000762233910  0.000410974735
  6  Al  1.977928946722  0.005772691155  6.054301309971  0.194598411644  -0.025209240394  0.202472549342  -0.000960852080  0.000936747447  0.000299608369
  7  Al  2.008107996546  2.041537940884  4.140879878282  -0.036368973238  -0.136759893686  -0.275829629810  -0.000722402003  -0.000305782858  0.001789093755
  8  Al  8.035695587932  4.162912186759  7.929976762368  0.027792039253  -0.317674947999  0.468626042634  -0.001713900909  0.001512697206  -0.002589665317
  9  Al  0.040680574464  6.054617551756  2.024681409393  -0.190428419203  -0.002786787480  0.007046195081  0.000475252660  -0.000605938465  0.000411228039
  10  Al  2.093467567636  3.942653428864  2.034682495491  -0.322940748427  0.269158741966  0.318464697641  0.000425035062  -0.000615492384  0.001995209805
  11  Al  2.041690128151  6.122113281934  0.172725945038  -0.072858031278  -0.152449492373  -0.449686393688  -0.000250349908  0.000855878581  0.003731209272
  12  Al  8.056547411296  4.096121951643  3.952762723338  0.354484840244  -0.305958003129  0.221708092066  0.000817597084  0.000261239249  -0.001244873384
  13  Al  0.006752478124  6.024876131342  5.963077330836  -0.108347511560  0.035051390490  0.410469351381  -0.000286411620  -0.001199042761  -0.001337459916
  14  Al  1.984599877814  3.973610911980  6.108582802475  0.014567367535  0.135543630018  -0.315514699547  -0.001451311404  -0.002264411633  -0.000584559139
  15  Al  2.125016320840  6.079025294753  3.911489105391  -0.419869245644  -0.216381783082  0.563883054247  0.000477422095  -0.000907928969  -0.001991752643
  16  Al  4.216050535618  0.167114562056  0.022021021948  -0.124686941046  -0.476759189332  0.115134997729  0.004109415118  0.002932765483  0.001705747839
  17  Al  3.892350231868  1.887558884725  2.001277617875  0.390568556176  0.295888309169  0.138080202933  -0.002047873062  -0.002434712395  -0.000294046567
  18  Al  6.170747631454  7.958382477942  1.869112940289  -0.204290272860  0.560204864757  0.429610006041  0.000947244059  -0.002137113560  -0.002441587658
  19  Al  6.103742192144  2.153470631210  7.906844939313  -0.072512756306  -0.621265084103  0.846319448523  -0.000226820641  0.000585297191  -0.002364617973
  20  Al  4.081656185908  0.148514560321  4.063763027241  -0.234630925613  -0.441198688619  0.108644686194  -0.000306714509  0.001706580888  0.000488316517
  21  Al  4.093639397370  1.990041632284  6.131791082973  -0.075558818354  0.227424580898  -0.033555636453  0.001139746134  0.000174452759  0.001999984114
  22  Al  6.076567073563  0.046796257584  6.109673236794  -0.127430464121  -0.010160760018  0.049324874982  -0.000277531653  0.002129879527  0.001482335158
  23  Al  6.188420949182  2.051884645959  4.034673297303  -0.201316840608  0.010618521258  0.053652363916  0.001812598427  0.000718758349  0.000663347456
  24  Al  4.099504044730  4.020619102124  0.145859378134  -0.000481904770  0.041898212367  -0.686310013325  0.001803640179  -0.000984471157  0.000810234886
  25  Al  4.005622547602  6.230869359927  2.159611090725  0.372390451514  -0.167800700653  -0.480457982620  0.000309153626  0.003234269139  0.001565122288
  26  Al  5.994238041423  4.177508038215  1.929029065640  0.380147913053  -0.407090150046  0.434415589213  -0.000932471386  0.002308467966  -0.000817345447
  27  Al  6.006865697575  6.131465087921  0.118417146054  -0.011243362925  -0.259534530778  -0.868945875697  -0.001823184930  0.000264343842  -0.000088661963
  28  Al  4.079676133774  4.123624334742  4.150047968023  -0.109938923558  -0.041043111081  -0.179712606149  0.000324919731  0.001904764324  0.001374484620
  29  Al  3.946570964077  6.116739795584  6.277864926047  0.365905954917  -0.066419922335  -0.211570113529  -0.000500725471  0.000719591634  0.004154826263
  30  Al  6.111689522995  3.920543029501  6.098649877376  -0.133351558296  0.737934529347  -0.352401881145  0.000483918411  -0.000787639967  -0.000510685878
  31  Al  6.198073670161  6.025604519170  4.013998192435  -0.322702739978  0.208046067559  0.041975392820  0.001826735450  -0.000356470421  -0.001468965251


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)
  -66.082069675368  -0.126490926726  1.928443384474
  -0.126490926726  -67.902281908205  -1.091079983731
  1.928443384474  -1.091079983731  -58.892502938123
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.971939148401  8.055069764889  8.003732345694  0.404710865977  0.007667006251  0.028472899574  -0.001355511056  -0.001038996106  -0.003013702947
  1  Al  8.052885332020  1.934981751330  1.877518476168  0.204725041609  0.268129455367  0.123184452912  0.000104035531  -0.001104648765  -0.003502277117
  2  Al  1.940157676863  7.970850209865  1.968704687851  -0.002225752787  0.692089129160  0.288768863934  -0.001997773625  -0.000922188851  -0.000065996205
  3  Al  1.925334250055  1.971930346356  8.044136925980  0.000943109281  -0.047435374607  0.127266344398  -0.002647945684  -0.001668449576  -0.001897374537
  4  Al  0.051114974507  7.993015744743  4.230617027423  0.108418197436  0.301981356439  -0.746546394032  0.002310043298  -0.001717925888  0.001261962006
  5  Al  0.019274355115  2.012668583896  6.142600268301  -0.061208586270  -0.065418165693  -0.353946101412  0.000371730560  -0.000786190969  0.000286220380
  6  Al  1.977002888558  0.006704931226  6.054637120141  0.205911246965  -0.040419922491  0.205132828467  -0.000889241529  0.000925013047  0.000372487624
  7  Al  2.007379091823  2.041207705555  4.142619654096  -0.035693016780  -0.136567326264  -0.288134359053  -0.000735286583  -0.000354653371  0.001688257806
  8  Al  8.033986656200  4.164368084142  7.927470886712  0.033243957598  -0.321953420875  0.478341823500  -0.001702987760  0.001398332574  -0.002420348826
  9  Al  0.041121778797  6.054011115017  2.025093897282  -0.196760019488  -0.001189939899  0.002421847114  0.000406023924  -0.000606649498  0.000412920911
  10  Al  2.093834861357  3.942086061675  2.036734646326  -0.326088174381  0.259066634842  0.314972965868  0.000308989625  -0.000521046447  0.002108467548
  11  Al  2.041426751332  6.122941902765  0.176376751031  -0.068749742636  -0.159981453137  -0.471399838578  -0.000275669174  0.000800016378  0.003566520380
  12  Al  8.057428389759  4.096328486040  3.951557491042  0.350634707354  -0.314120721142  0.220659321141  0.000943671444  0.000150370065  -0.001165778727
  13  Al  0.006446694125  6.023683355719  5.961813262250  -0.109270449359  0.038008248284  0.415962305190  -0.000325321398  -0.001185979803  -0.001189695125
  14  Al  1.983151171034  3.971370735353  6.107941829762  0.018968112746  0.151049656876  -0.319332659875  -0.001445315309  -0.002213169166  -0.000698068933
  15  Al  2.125418670918  6.078078677033  3.909598174227  -0.422103452253  -0.218264600273  0.579448240359  0.000326878588  -0.000985643117  -0.001787326654
  16  Al  4.220137656891  0.169962083682  0.023747355760  -0.135389196651  -0.494723918136  0.106157060186  0.004062913879  0.002759065702  0.001745314541
  17  Al  3.890372191902  1.885177076734  2.001008259850  0.388474639343  0.304250653926  0.145401035228  -0.001908581260  -0.002327408412  -0.000243360530
  18  Al  6.171658348705  7.956345528205  1.866748166282  -0.192155573841  0.578319205733  0.440569246192  0.000876360112  -0.001933547095  -0.002286000861
  19  Al  6.103502406327  2.153944847099  7.904631642039  -0.059061367661  -0.624943755146  0.869039702890  -0.000250345905  0.000362476844  -0.002057914226
  20  Al  4.081307519727  0.150142255519  4.064270769272  -0.235301951539  -0.444408253127  0.115996122853  -0.000390737831  0.001548235642  0.000528481971
  21  Al  4.094765633696  1.990256748230  6.133785067388  -0.083882916598  0.227941016154  -0.045912850174  0.001111238181  0.000255871472  0.001985775263
  22  Al  6.076266757527  0.048924320382  6.111164391168  -0.130684202092  -0.024410759330  0.038710536489  -0.000323682184  0.002123698190  0.001498075763
  23  Al  6.190197552447  2.052605302885  4.035346237725  -0.196967540129  0.010724140972  0.043328760297  0.001741385753  0.000722574387  0.000680687542
  24  Al  4.101307598745  4.019642122306  0.146546901777  -0.012828733013  0.048466323975  -0.691084889716  0.001801260256  -0.000968314108  0.000563958660
  25  Al  4.005998284105  6.234073626542  2.161090307817  0.375783931153  -0.166839375668  -0.487042270083  0.000442926129  0.003174435975  0.001392134635
  26  Al  5.993373539937  4.179743719047  1.928289393075  0.393532874378  -0.420690666145  0.444649329967  -0.000794138374  0.002160461947  -0.000660169904
  27  Al  6.005040502348  6.131683027362  0.118173117819  -0.008310029368  -0.260575881397  -0.885019280953  -0.001826681048  0.000171348849  -0.000402268408
  28  Al  4.079981396583  4.125521760617  4.151390320288  -0.112670692664  -0.043916818127  -0.176966317835  0.000285117452  0.001889573611  0.001310710942
  29  Al  3.946135662064  6.117447511431  6.281981923878  0.359146500336  -0.064714556238  -0.212455734195  -0.000371087136  0.000696144978  0.004079011052
  30  Al  6.112149598340  3.919887331166  6.098076182549  -0.132371079054  0.752152110934  -0.362337095179  0.000436407586  -0.000521214620  -0.000638480179
  31  Al  6.199842706826  6.025285247085  4.012536732324  -0.322770707614  0.210729968784  0.051694104528  0.001711325727  -0.000281593869  -0.001452217279


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)
  -65.587004739592  -0.115575663513  2.083398123695
  -0.115575663513  -67.389418541262  -0.951609268953
  2.083398123695  -0.951609268953  -58.434754610561
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.970655999066  8.054032139634  8.000723733660  0.407898724618  0.007142136166  0.039741559052  -0.001210217631  -0.001036348252  -0.003001506300
  1  Al  8.053025972094  1.933925043726  1.874038224254  0.198364181774  0.273712321290  0.126152052485  0.000176107304  -0.001007768235  -0.003457696109
  2  Al  1.938159505277  7.970051765554  1.968690323103  -0.000663987990  0.708137996311  0.289266662451  -0.001998290307  -0.000671830256  0.000037355715
  3  Al  1.922686472997  1.970253415404  8.042262306482  0.008958002892  -0.045185963356  0.142184829516  -0.002646175380  -0.001685010138  -0.001849197055
  4  Al  0.053444402823  7.991351812687  4.231745508008  0.097597938790  0.310073638166  -0.752132259011  0.002346878687  -0.001608491336  0.000994000419
  5  Al  0.019635141668  2.011870696253  6.142823203627  -0.071231317341  -0.061656896481  -0.359800316866  0.000348050496  -0.000808911807  0.000158603547
  6  Al  1.976150463663  0.007622717249  6.055046285219  0.220169620679  -0.052657674346  0.211274709605  -0.000813058883  0.000908370907  0.000446940692
  7  Al  2.006637423381  2.040828634142  4.144256393893  -0.030705615105  -0.136001520548  -0.296538234326  -0.000747158562  -0.000403388289  0.001583719188
  8  Al  8.032289612411  4.165708851908  7.925136064716  0.036501654219  -0.328654171303  0.485147293721  -0.001690517345  0.001282004873  -0.002248078358
  9  Al  0.041492622313  6.053404252760  2.025507251215  -0.204628159067  0.000379178234  -0.005564650946  0.000334256296  -0.000606794461  0.000412358982
  10  Al  2.094085546885  3.941611335970  2.038899430586  -0.324000685209  0.246860392436  0.306709887924  0.000192754672  -0.000430587423  0.002219623547
  11  Al  2.041138789802  6.123713314690  0.179858985798  -0.060838100797  -0.167187271866  -0.494606412341  -0.000298839294  0.000741519081  0.003393799852
  12  Al  8.058434754184  4.096422691773  3.950431165883  0.343027886463  -0.323309264578  0.222039590017  0.001067697317  0.000036398501  -0.001086624799
  13  Al  0.006101835328  6.022504171736  5.960697940586  -0.111959139056  0.040555918864  0.424146646273  -0.000364876930  -0.001171932643  -0.001039484854
  14  Al  1.981709247196  3.969184573648  6.107186664609  0.027304093935  0.163774012663  -0.318298840066  -0.001437041905  -0.002156879147  -0.000812076527
  15  Al  2.125670078016  6.077054008520  3.907914452084  -0.419771178316  -0.219816966095  0.594709028069  0.000176352616  -0.001063971470  -0.001577389024
  16  Al  4.224176363376  0.172632693459  0.025511651030  -0.145502838709  -0.509015065898  0.094540130821  0.004012690787  0.002579598616  0.001781198910
  17  Al  3.888533069348  1.882904067901  2.000790896816  0.388670433294  0.313247923805  0.148729367627  -0.001769628840  -0.002217000555  -0.000190770437
  18  Al  6.172500351677  7.954515383751  1.864540938568  -0.183635219808  0.596336100972  0.446312651448  0.000809169259  -0.001723520417  -0.002127427654
  19  Al  6.103241500335  2.154195584899  7.902729110861  -0.049044968858  -0.626131768003  0.886857224203  -0.000269675162  0.000138786342  -0.001743962383
  20  Al  4.080874710246  0.151611031605  4.064819991183  -0.233271631063  -0.444482902596  0.125289106389  -0.000474518113  0.001389303183  0.000571623422
  21  Al  4.095861873732  1.990553375228  6.135762633499  -0.090212122923  0.228793054188  -0.054518026002  0.001080110239  0.000337534867  0.001967818367
  22  Al  6.075919709195  0.051043653963  6.112669388319  -0.137048836058  -0.035316913004  0.030907539654  -0.000371552466  0.002113018968  0.001510523374
  23  Al  6.191903720687  2.053329794733  4.036034672387  -0.197041505358  0.011493168554  0.036252898333  0.001670937502  0.000726546810  0.000694916628
  24  Al  4.103106565242  4.018682473907  0.146987295453  -0.023731416910  0.052046191346  -0.697219105168  0.001794723354  -0.000950342615  0.000315731904
  25  Al  4.006508399859  6.237218231877  2.162395359996  0.379917449085  -0.165872210557  -0.495451623866  0.000578044448  0.003114947622  0.001216466141
  26  Al  5.992649764674  4.181828962109  1.927708725831  0.402244445564  -0.435379431935  0.450231303286  -0.000651854535  0.002007397846  -0.000500166535
  27  Al  6.003212335478  6.131807785619  0.117612609237  -0.008177481455  -0.261382608986  -0.900440117304  -0.001829628992  0.000078023422  -0.000721505979
  28  Al  4.080246368678  4.127403481964  4.152669389908  -0.112568295119  -0.049315209206  -0.171448472610  0.000244845045  0.001872903859  0.001248414879
  29  Al  3.945828789805  6.118132085540  6.286022948151  0.354018102415  -0.064011366307  -0.210255684021  -0.000243574332  0.000673128968  0.004003430859
  30  Al  6.112562338168  3.919500600261  6.097372917019  -0.134613771788  0.761175368357  -0.367294659278  0.000388671079  -0.000250633845  -0.000768937286
  31  Al  6.201496321615  6.025041331432  4.011093757876  -0.326026262800  0.211649803714  0.063075920929  0.001595321762  -0.000206072974  -0.001431696564


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)
  -65.132894551713  -0.103035995231  2.236803317583
  -0.103035995231  -66.904172138596  -0.800116370752
  2.236803317583  -0.800116370752  -58.023566179349
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.969518713139  8.052997068385  7.997729333094  0.412701615341  0.004447547686  0.053144811782  -0.001063495471  -0.001034276033  -0.002984898351
  1  Al  8.053237546628  1.932966214861  1.870603083951  0.193869555804  0.278509975996  0.133745957481  0.000246238132  -0.000909031683  -0.003411226718
  2  Al  1.936161096250  7.969506549353  1.968779399281  -0.001924446053  0.719187194303  0.293414354755  -0.001998753115  -0.000416626567  0.000141538242
  3  Al  1.920041899295  1.968560326081  8.040438531870  0.013659731818  -0.042732952916  0.158602861364  -0.002642131361  -0.001700729914  -0.001795416649
  4  Al  0.055808731881  7.989798762072  4.232605028262  0.087421903529  0.315143232228  -0.759088636857  0.002379959968  -0.001496703459  0.000723796298
  5  Al  0.019970456107  2.011050760281  6.142917475396  -0.079567338676  -0.058178907324  -0.369100977022  0.000321087913  -0.000830338277  0.000028277045
  6  Al  1.975376770791  0.008521673039  6.055531001525  0.229976414885  -0.066456186946  0.212528495854  -0.000732573420  0.000887073520  0.000522716095
  7  Al  2.005884774698  2.040400928977  4.145787092472  -0.029609770512  -0.135558927392  -0.306549327552  -0.000757942867  -0.000451942906  0.001475888000
  8  Al  8.030605621509  4.166932093889  7.922974729995  0.042682506311  -0.332894025997  0.493491249117  -0.001676359331  0.001163721008  -0.002073099196
  9  Al  0.041790291388  6.052797526095  2.025918615246  -0.209954046279  0.002282623118  -0.009423856805  0.000260129594  -0.000606318535  0.000409679059
  10  Al  2.094220370702  3.941224886830  2.041173893420  -0.325022000297  0.237505230111  0.300920171093  0.000076710350  -0.000343983546  0.002328266927
  11  Al  2.040829072743  6.124424940927  0.183164350735  -0.056785064709  -0.173765017305  -0.512298065061  -0.000319870147  0.000680557302  0.003213766781
  12  Al  8.059563784394  4.096401283043  3.949384241443  0.336781291614  -0.329435631976  0.221107610906  0.001189246220  -0.000080311347  -0.001007390717
  13  Al  0.005716940265  6.021339490433  5.959734292543  -0.112491905853  0.044440545546  0.426743089236  -0.000405008454  -0.001156735398  -0.000887346994
  14  Al  1.980277087224  3.967056977059  6.106317676708  0.031277542163  0.177556402959  -0.320543134007  -0.001426567593  -0.002095849760  -0.000926300553
  15  Al  2.125771376150  6.075950734092  3.906443396179  -0.420253847154  -0.220162146693  0.605403592412  0.000026157351  -0.001142639103  -0.001362810615
  16  Al  4.228163038465  0.175121280914  0.027309753579  -0.157467400569  -0.524660848990  0.085577005996  0.003958520144  0.002394778850  0.001813403594
  17  Al  3.886832934223  1.880743075624  2.000626718976  0.385933621770  0.321170621175  0.155342128537  -0.001631130749  -0.002103567432  -0.000136402891
  18  Al  6.173276687223  7.952898487371  1.862493310974  -0.171073917197  0.610004526693  0.455530283487  0.000745747776  -0.001507828449  -0.001966179435
  19  Al  6.102963056004  2.154222419782  7.901143717274  -0.035256807818  -0.625679595263  0.903117823814  -0.000284748198  -0.000085035728  -0.001423917420
  20  Al  4.080358483502  0.152920861884  4.065414016117  -0.232718185671  -0.446759120779  0.131542435745  -0.000557836421  0.001229950392  0.000617544533
  21  Al  4.096925854174  1.990931817963  6.137720704121  -0.098356982528  0.228502724658  -0.066527489025  0.001046394354  0.000419298694  0.001946175603
  22  Al  6.075523652595  0.053150358317  6.114185437917  -0.138817925622  -0.047934148649  0.018397042915  -0.000420877046  0.002098133798  0.001519338963
  23  Al  6.193539427452  2.054058396504  4.036736070981  -0.192527457212  0.011142774477  0.027330501345  0.001601283133  0.000730594084  0.000706285248
  24  Al  4.104897045453  4.017741437076  0.147178365584  -0.036788327850  0.057597616921  -0.698215992558  0.001783902511  -0.000930738460  0.000066230117
  25  Al  4.007154373000  6.240303521786  2.163523240100  0.379910995885  -0.164476589087  -0.499269250418  0.000713900680  0.003055881732  0.001038611481
  26  Al  5.992069830867  4.183758514738  1.927289060004  0.413439193459  -0.445950690194  0.458487848905  -0.000506011474  0.001849817288  -0.000337688859
  27  Al  6.001381244365  6.131839074207  0.116730105861  -0.003935729042  -0.260722436454  -0.909386114353  -0.001831794816  -0.000015328208  -0.001045100304
  28  Al  4.080471086673  4.129267568334  4.153887150047  -0.114723346862  -0.052335865825  -0.169071945841  0.000204205627  0.001854728793  0.001187530318
  29  Al  3.945648513401  6.118793769368  6.289988785596  0.345930638548  -0.062135625554  -0.212049103705  -0.000118424504  0.000650574068  0.003927923371
  30  Al  6.112926940498  3.919386063476  6.096538307976  -0.132227772470  0.768894424479  -0.374204770413  0.000340960195  0.000022940432  -0.000901516317
  31  Al  6.203033350350  6.024873101138  4.009673339196  -0.324082738755  0.213453276992  0.071301398875  0.001479083209  -0.000130065155  -0.001407670093


