MDSTEP:  40
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -77.800978589973  -0.217759119387  0.171686453852
  -0.217759119387  -78.335048410817  -1.331870017495
  0.171686453852  -1.331870017495  -72.732762188426
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.017396123212  8.074912574560  8.055769359727  0.251994495275  0.028445795913  -0.129216602271  -0.003529324112  -0.001189567512  -0.002588844824
  1  Al  8.063643319084  1.968396990863  1.945539981848  0.200976329791  0.150497660305  0.021967142503  -0.001296598070  -0.002479532505  -0.003944893376
  2  Al  1.977066243038  8.018969192784  1.984729141385  0.065146683894  0.170764323291  0.173125061002  -0.002186274815  -0.003830851271  -0.001587847461
  3  Al  1.972287407061  1.999178916903  8.079189767980  0.004068180220  -0.034678606024  -0.185486726360  -0.002578877707  -0.001374948008  -0.001640093879
  4  Al  0.017942692586  8.037745067485  4.169838533356  0.160446069958  0.076807234519  -0.394662325598  0.001318730932  -0.002994184449  0.005096069112
  5  Al  0.010897030558  2.022415531532  6.120587988087  -0.008096292742  -0.069802414344  -0.155051540279  0.000503796625  -0.000292045710  0.001940553446
  6  Al  2.000185714130  8.093117145131  6.058089957944  -0.034663316059  0.212388689661  0.098152421608  -0.001417507335  0.000297132090  -0.000635825919
  7  Al  2.018065293848  2.039915929822  4.100680106496  -0.042307820648  -0.107938644989  0.001924314049  -0.000446461639  0.000466034903  0.002639387032
  8  Al  8.065383067974  4.122470747497  7.994642101241  -0.004762869639  -0.202179028663  0.226514260872  -0.001746004340  0.003126380008  -0.004760236782
  9  Al  0.025132901353  6.064489359276  2.019878239203  -0.047516744779  -0.010146945944  0.102104476733  0.001202669589  -0.000548248303  0.000049478990
  10  Al  2.071402613045  3.970304127296  2.016987815350  -0.161724549044  0.419710390292  0.239506099345  0.001993517427  -0.002805493977  0.000170071040
  11  Al  2.040773048334  6.102088578752  0.094265963138  -0.131692139849  -0.019925389728  0.029880333381  0.000416520910  0.001359629801  0.004989817372
  12  Al  8.060907186054  4.079539266490  3.985573799514  0.283570835557  -0.064384330197  0.222177666923  -0.001255716702  0.001431477925  -0.002624703255
  13  Al  0.006679567802  6.046642356846  6.003670094148  -0.055580802862  0.022894453315  0.176361045909  0.000241803216  -0.001351487218  -0.003186558991
  14  Al  2.007950397036  4.014223982349  6.103893463227  -0.101358497351  -0.131598396559  -0.188756817409  -0.001175063126  -0.002227996255  0.001005808094
  15  Al  2.096363702778  6.084474608812  3.967345368353  -0.314353836730  -0.126653018199  0.100520168961  0.002779270134  0.000172037774  -0.004087171999
  16  Al  4.141958081967  0.098552234542  0.001330067377  -0.032375952313  -0.120344627488  0.206434190568  0.004515766772  0.004758418811  0.000632754402
  17  Al  3.947054215760  1.941766374287  2.011167943444  0.323246400850  0.153786188339  0.005230373830  -0.004319747538  -0.003797154278  -0.000728573047
  18  Al  6.141680231518  8.016054229332  1.929156038633  -0.285782321045  0.090227224205  0.197013037974  0.002564333942  -0.004143863805  -0.004378670787
  19  Al  6.100852372623  2.114748767866  7.980984042868  -0.202764914739  -0.354244986170  0.209902016777  0.000706879911  0.003685315177  -0.005674387217
  20  Al  4.075650572983  0.098020650487  4.058442701162  -0.151371848735  -0.320260267341  -0.034127672185  0.000926307430  0.004113347713  0.000287937228
  21  Al  4.072538397328  1.997946425166  6.099424622888  0.030257221427  0.145532249210  0.133888424718  0.001232479056  -0.001019450531  0.001629035105
  22  Al  6.076675745933  0.014486684191  6.088678886063  -0.001487537336  0.227156390539  0.096351884512  0.000132038045  0.001416485683  0.000942472274
  23  Al  6.146807169045  2.039888928043  4.029602941021  -0.194297389116  -0.008819438281  0.246741343300  0.003081296087  0.000712701354  -0.000280039666
  24  Al  4.071529482101  4.037446846387  0.100546946429  0.106777009299  -0.077473066183  -0.376239459342  0.001375976223  -0.000866093444  0.004193736579
  25  Al  4.016706291187  6.167219359690  2.111656039997  0.153314733976  -0.143764901657  -0.236989773728  -0.001377343529  0.004229538130  0.003817924209
  26  Al  6.025110656424  4.123068806219  1.961653950673  0.091861711886  -0.040632038826  0.194587418128  -0.002388684292  0.003703676462  -0.002769904632
  27  Al  6.037442911811  6.114753346792  0.083399377267  0.017186524483  -0.161841402784  -0.305733194303  -0.001802442373  0.001598109916  0.003609704227
  28  Al  4.069311213021  4.090073805900  4.116233092282  -0.054917262908  0.000808736772  -0.228675153249  0.000836872465  0.001995751059  0.002656881991
  29  Al  3.974863555075  6.100918754997  6.196102978411  0.354333254801  -0.061203271989  -0.211085310334  -0.002816751831  0.001136229436  0.005469030921
  30  Al  6.097652608418  3.964788232946  6.093311070326  -0.040597931254  0.232767429707  -0.083027347277  0.001069408625  -0.003877020286  0.000853048247
  31  Al  6.152030194527  6.041318388312  4.037567715131  -0.177527424269  0.124104009297  -0.153329758756  0.003439130018  -0.001404335252  -0.001095951871


MDSTEP:  41
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -77.517556495964  -0.220736934381  0.189663897178
  -0.220736934381  -78.086708359562  -1.373747233974
  0.189663897178  -1.373747233974  -72.291135449523
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.015642725236  8.074319062323  8.054469161371  0.257096523492  0.029027516588  -0.126865879433  -0.003483811676  -0.001184429432  -0.002611738446
  1  Al  8.063004003631  1.967163951811  1.943568517084  0.202941332865  0.155077849579  0.024280419346  -0.001260488070  -0.002452214235  -0.003940758872
  2  Al  1.975976017668  8.017061400263  1.983942956294  0.064179464617  0.185036965618  0.176950653136  -0.002174713134  -0.003799042847  -0.001556550899
  3  Al  1.970998150054  1.998489892775  8.078361429838  0.002898702723  -0.034711550679  -0.179948711315  -0.002578254872  -0.001381151447  -0.001672763591
  4  Al  0.018609229944  8.036251408522  4.172368926623  0.161171413672  0.082999632985  -0.408345235235  0.001347483345  -0.002979897809  0.005024280712
  5  Al  0.011148566968  2.022266388529  6.121551334052  -0.008333706736  -0.070376686629  -0.160642924348  0.000502327792  -0.000304577639  0.001912330548
  6  Al  1.999475411023  8.093275204887  6.057776432369  -0.029873894206  0.209892695840  0.101584970347  -0.001423276923  0.000334883796  -0.000617969514
  7  Al  2.017840171882  2.040144122448  4.101999886028  -0.042759967070  -0.108555207481  -0.005688504718  -0.000454066648  0.000446680481  0.002639050515
  8  Al  8.064509852906  4.124024900158  7.992272107971  -0.005263701178  -0.206700933547  0.235454869654  -0.001746900709  0.003089826381  -0.004718937015
  9  Al  0.025732112163  6.064214781559  2.019907542739  -0.052387013220  -0.011020521821  0.101144099974  0.001193738252  -0.000550140662  0.000067649293
  10  Al  2.072392142718  3.968920141238  2.017083556721  -0.167513963285  0.420096475842  0.245031383727  0.001964083699  -0.002730415740  0.000213388404
  11  Al  2.040975422189  6.102767502994  0.096762207466  -0.131340553155  -0.023613813797  0.020547080874  0.000393005943  0.001355737422  0.004994325553
  12  Al  8.060292003236  4.080252127491  3.984271379163  0.288170790558  -0.071530268009  0.222779328519  -0.001204603339  0.001419327240  -0.002584924363
  13  Al  0.006797984964  6.045967636612  6.002084697939  -0.058866072623  0.022085597056  0.183427718499  0.000231571733  -0.001347466028  -0.003154394088
  14  Al  2.007358334779  4.013104101812  6.104387929900  -0.098771924070  -0.127454139593  -0.193786490879  -0.001192954667  -0.002251155399  0.000971608949
  15  Al  2.097739286321  6.084554966347  3.965306275576  -0.319036351039  -0.130940282333  0.111905982635  0.002722645426  0.000149009085  -0.004068181227
  16  Al  4.144214518157  0.100926064579  0.001655672125  -0.032778274444  -0.129237973208  0.208480161948  0.004509942022  0.004736106274  0.000669847499
  17  Al  3.944908791009  1.939874671345  2.010803890717  0.329239636886  0.158881713750  0.008424498310  -0.004261415672  -0.003769201953  -0.000727352310
  18  Al  6.142949624104  8.013986330560  1.926975509664  -0.288140191301  0.101569607133  0.204522402354  0.002513025609  -0.004126717281  -0.004342773756
  19  Al  6.101196749047  2.116575590809  7.978156231817  -0.203007793890  -0.363878106926  0.228270813518  0.000670604071  0.003621115398  -0.005635214826
  20  Al  4.076106960421  0.100063008804  4.058585144279  -0.154161218433  -0.326479224209  -0.032953590173  0.000898992955  0.004055529586  0.000281940203
  21  Al  4.073155989345  1.997443205150  6.100245125214  0.029551412903  0.150487543790  0.131968663154  0.001237825913  -0.000992986536  0.001652802571
  22  Al  6.076741698463  0.015205080856  6.089154429100  -0.004974354672  0.224109390828  0.097132535285  0.000131460356  0.001456828577  0.000959769666
  23  Al  6.148339132053  2.040244884494  4.029473950453  -0.197192148132  -0.007569609480  0.242916413301  0.003046297154  0.000711236183  -0.000236264552
  24  Al  4.072222243113  4.037010336642  0.102626996926  0.107408028300  -0.075706069769  -0.387085464490  0.001395124238  -0.000879787568  0.004125495783
  25  Al  4.016024472546  6.169327702506  2.113554408729  0.161854997495  -0.146888515222  -0.245102795444  -0.001349167542  0.004203553887  0.003774825419
  26  Al  6.023920420469  4.124918828209  1.960277696357  0.098903505615  -0.049735039343  0.202521489611  -0.002371629995  0.003695597698  -0.002734403331
  27  Al  6.036542458857  6.115545167487  0.085190563198  0.015502642560  -0.166566062758  -0.320866219522  -0.001799519980  0.001568750483  0.003553686610
  28  Al  4.069727194468  4.091071717580  4.117551311565  -0.055661049302  0.000444874459  -0.230499169846  0.000826986830  0.001995863131  0.002615832078
  29  Al  3.973471017752  6.101484133947  6.198828058421  0.359558037580  -0.063204164802  -0.212763332629  -0.002752930372  0.001125107485  0.005431139104
  30  Al  6.098185498015  3.962860127438  6.093733883151  -0.044503203321  0.247839269095  -0.090975836290  0.001061800634  -0.003834054332  0.000837492465
  31  Al  6.153741824113  6.040621768098  4.037012885401  -0.183911109190  0.126619037041  -0.151819329872  0.003406817627  -0.001381920760  -0.001123232019


MDSTEP:  42
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -77.225125012977  -0.222516527982  0.209187103381
  -0.222516527982  -77.833292372266  -1.413107777801
  0.209187103381  -1.413107777801  -71.848527667606
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.013912311536  8.073728145129  8.053157621281  0.263283974921  0.029648240901  -0.126871491047  -0.003437289968  -0.001179183854  -0.002634422417
  1  Al  8.062382831014  1.965944776627  1.941599222976  0.206071709587  0.158282967934  0.025066545417  -0.001223922546  -0.002424199964  -0.003936347282
  2  Al  1.974891529904  8.015170149937  1.983172590486  0.062272648807  0.199734455978  0.179866887064  -0.002163408390  -0.003764644509  -0.001524651622
  3  Al  1.969709152189  1.997797765455  8.077517004389  0.000678206922  -0.036187418061  -0.176323383695  -0.002577935098  -0.001387489773  -0.001704614105
  4  Al  0.019290175931  8.034765169676  4.174862814067  0.163457140398  0.089210736695  -0.419229124337  0.001376504945  -0.002964502304  0.004950296054
  5  Al  0.011399358350  2.022110953893  6.122500318634  -0.007262602750  -0.072280954122  -0.164929943657  0.000500933492  -0.000317331147  0.001883224526
  6  Al  1.998762437207  8.093452028927  6.057471988430  -0.025498932602  0.206758200752  0.105969158866  -0.001428227221  0.000372132139  -0.000599414298
  7  Al  2.017611227200  2.040362610303  4.103319157012  -0.043996939927  -0.110880014444  -0.011088237543  -0.000461822665  0.000427063102  0.002637550684
  8  Al  8.063636167265  4.125560573878  7.989923164226  -0.004656368056  -0.211122893973  0.241967063948  -0.001747787557  0.003052473178  -0.004676255777
  9  Al  0.026326639605  6.063939218614  2.019945888496  -0.055605497880  -0.010544530350  0.098947357428  0.001184083786  -0.000552068565  0.000085537351
  10  Al  2.073366696743  3.967573711556  2.017201203754  -0.174409570131  0.419754249534  0.249306223476  0.001933515937  -0.002655333583  0.000257581894
  11  Al  2.041166054277  6.103444316175  0.099260288691  -0.131660580661  -0.025898748555  0.008197674031  0.000369493797  0.001351311029  0.004996895317
  12  Al  8.059702582715  4.080958593730  3.982988875152  0.294251463290  -0.078600960806  0.225702973642  -0.001152535135  0.001405905597  -0.002544830311
  13  Al  0.006911139535  6.045294890818  6.000515700059  -0.060744489102  0.022691980007  0.191830663818  0.000220878619  -0.001343462939  -0.003120846211
  14  Al  2.006757442369  4.011972826950  6.104865072176  -0.097066894230  -0.122905108252  -0.197771863581  -0.001210462541  -0.002273537367  0.000936603864
  15  Al  2.099086348204  6.084623617897  3.963277187126  -0.324489156117  -0.133514840109  0.126088954209  0.002665114627  0.000125366954  -0.004046904621
  16  Al  4.146468023990  0.103288340817  0.001999914876  -0.034457866439  -0.138585779237  0.207611560146  0.004503931151  0.004712162990  0.000707045853
  17  Al  3.942792800088  1.937997172334  2.010440591135  0.333382888662  0.162232603663  0.010654363478  -0.004202177611  -0.003740494523  -0.000725646671
  18  Al  6.144193257127  8.011927512051  1.924813264877  -0.289178438227  0.113598535018  0.210444035463  0.002461413666  -0.004107481377  -0.004305676002
  19  Al  6.101522976694  2.118369883264  7.975348828042  -0.201661258689  -0.374657940110  0.244887132995  0.000634426897  0.003555090713  -0.005592914786
  20  Al  4.076549565938  0.102076180072  4.058724641364  -0.158573656386  -0.332561759559  -0.028926587090  0.000871034642  0.003996611712  0.000276408151
  21  Al  4.073776223241  1.996953438630  6.101077425459  0.027216786250  0.153666079597  0.130715990046  0.001242900956  -0.000965795382  0.001676286424
  22  Al  6.076807206289  0.015943512768  6.089638655729  -0.007766070233  0.220385388297  0.099075978554  0.000130321369  0.001496566147  0.000977310591
  23  Al  6.149853466199  2.040600164226  4.029366676469  -0.198947768416  -0.007759565291  0.241200913913  0.003010882480  0.000709865764  -0.000192984750
  24  Al  4.072924606340  4.036567058819  0.104672442212  0.106724459854  -0.073596069842  -0.400438296589  0.001414267556  -0.000893135091  0.004055091625
  25  Al  4.015357123645  6.171422913576  2.115430865416  0.168652959813  -0.148118430441  -0.254113180941  -0.001319620326  0.004177180440  0.003730195807
  26  Al  6.022739026429  4.126764403917  1.958919547343  0.107128695058  -0.059453839854  0.208666277385  -0.002353210838  0.003685836277  -0.002697643388
  27  Al  6.035643391830  6.116322097275  0.086953063878  0.014608671428  -0.169803110521  -0.339227028690  -0.001796828047  0.001538679278  0.003494674665
  28  Al  4.070138199851  4.092069669031  4.118848924360  -0.058038718412  0.000138859950  -0.229364265748  0.000816822138  0.001995915316  0.002574720559
  29  Al  3.972110624703  6.102043862482  6.201534117515  0.362962333936  -0.063504436427  -0.213259493927  -0.002688337479  0.001113779811  0.005393052915
  30  Al  6.098714409052  3.960954178614  6.094148562791  -0.047428435736  0.263177529422  -0.097524073639  0.001053582000  -0.003788369733  0.000820640685
  31  Al  6.155437012154  6.039936467552  4.036444483113  -0.189248694927  0.130696572205  -0.147132783397  0.003373457362  -0.001358916897  -0.001149958161


MDSTEP:  43
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -76.924861562336  -0.223636514149  0.229830643852
  -0.223636514149  -77.576475129654  -1.450591433685
  0.229830643852  -1.450591433685  -71.404038365804
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.012205435268  8.073139878469  8.051834738955  0.268394989332  0.029268510174  -0.122875693738  -0.003389758183  -0.001173916731  -0.002656749667
  1  Al  8.061780081085  1.964739751847  1.939632169802  0.208209575020  0.161504483795  0.028468975452  -0.001186886045  -0.002395611155  -0.003931561238
  2  Al  1.973812609278  8.013296755754  1.982418304671  0.062572136579  0.213822543070  0.185151456906  -0.002152247340  -0.003727672759  -0.001492019198
  3  Al  1.968420214956  1.997102403002  8.076656815733  0.000753900415  -0.037543634889  -0.168324802330  -0.002577807069  -0.001394081286  -0.001735425449
  4  Al  0.019985734889  8.033286906217  4.177319222677  0.164764452857  0.094905425398  -0.434101209259  0.001405847761  -0.002948042428  0.004874008827
  5  Al  0.011649500460  2.021949057382  6.123434558578  -0.007531291109  -0.073967669625  -0.171662490185  0.000499610926  -0.000330405688  0.001853133362
  6  Al  1.998047183802  8.093647337026  6.057177018071  -0.018309338234  0.201701160981  0.107759345441  -0.001432143654  0.000408648164  -0.000580307096
  7  Al  2.017378349217  2.040571185551  4.104637436713  -0.042975383930  -0.113054884211  -0.020848043136  -0.000469597939  0.000407043455  0.002634695600
  8  Al  8.062762065348  4.127077373337  7.987595852194  -0.004940570812  -0.214680923521  0.252192667515  -0.001748645518  0.003014406569  -0.004632078189
  9  Al  0.026916195949  6.063662712994  2.019993080089  -0.059564153109  -0.010183252792  0.098619244236  0.001173787687  -0.000553921616  0.000103199688
  10  Al  2.074325658656  3.966264807655  2.017341138615  -0.179173694171  0.419929478260  0.255792660577  0.001901905803  -0.002580266355  0.000302737435
  11  Al  2.041344915986  6.104118814023  0.101759102783  -0.129480088817  -0.028343311829  -0.001005671575  0.000346147976  0.001346461821  0.004997538278
  12  Al  8.059139468101  4.081658033088  3.981726548853  0.299242212458  -0.085168941774  0.224743199483  -0.001099477151  0.001391264665  -0.002504560689
  13  Al  0.007018863584  6.044624173673  5.998963851728  -0.063292396537  0.023244991351  0.197880035773  0.000209789795  -0.001339356201  -0.003086006305
  14  Al  2.006147872237  4.010830564444  6.105324533764  -0.092821786839  -0.116519077817  -0.203973962363  -0.001227438477  -0.002294941748  0.000900688025
  15  Al  2.100404400948  6.084680333300  3.961259370955  -0.327231382479  -0.136097933390  0.137354016700  0.002606851197  0.000101263731  -0.004023352975
  16  Al  4.148718449309  0.105638227568  0.002362717978  -0.035345268903  -0.149210469678  0.210173628232  0.004497690792  0.004686434175  0.000744395601
  17  Al  3.940706613399  1.936134176821  2.010078244046  0.338546855724  0.165501455258  0.015299278541  -0.004142107489  -0.003711195292  -0.000723326430
  18  Al  6.145411037769  8.009878849183  1.922669833662  -0.292481638926  0.125406138798  0.218886660843  0.002409413599  -0.004086114501  -0.004267294092
  19  Al  6.101831175944  2.120130681521  7.972563317032  -0.202391784459  -0.385492791604  0.265507787771  0.000598304794  0.003487133687  -0.005547285782
  20  Al  4.076977995064  0.104059620516  4.058861552430  -0.162234743922  -0.339717733454  -0.028386907192  0.000842354561  0.003936510323  0.000271284359
  21  Al  4.074398890301  1.996477409767  6.101921411637  0.025840623123  0.156632807944  0.127063934104  0.001247644257  -0.000938054846  0.001699331796
  22  Al  6.076872019833  0.016701647003  6.090131739692  -0.013189654385  0.215347563814  0.098656366011  0.000128447940  0.001535520415  0.000994987746
  23  Al  6.151350014533  2.040954750258  4.029280965703  -0.202717527350  -0.007984747899  0.235373419734  0.002974973840  0.000708458232  -0.000150379287
  24  Al  4.073636510670  4.036117201551  0.106682088551  0.106605075887  -0.070309622408  -0.409969596146  0.001433339090  -0.000906000175  0.003982641639
  25  Al  4.014704852220  6.173504882947  2.117284604536  0.176517936313  -0.149338395360  -0.261149994036  -0.001288762252  0.004150587976  0.003684131584
  26  Al  6.021567209631  4.128604664487  1.957580052969  0.113411198073  -0.068585857391  0.217401469362  -0.002333494702  0.003674389604  -0.002659553184
  27  Al  6.034745630810  6.117083846765  0.088685237862  0.011307202484  -0.173098762550  -0.354257125298  -0.001794511183  0.001508024053  0.003432677592
  28  Al  4.070544016606  4.093067632896  4.120126032125  -0.059721102231  0.000921695654  -0.231983517825  0.000806294479  0.001996010129  0.002533476340
  29  Al  3.970782680273  6.102597913758  6.204221111336  0.366899003919  -0.063468986590  -0.215709671740  -0.002623088307  0.001102428462  0.005354703326
  30  Al  6.099239080015  3.959071757705  6.094554523836  -0.052468767852  0.279885442424  -0.106488422379  0.001044651249  -0.003739820225  0.000802402089
  31  Al  6.157115281474  6.039262851202  4.035862927240  -0.197194588120  0.134695299860  -0.145587039483  0.003338909561  -0.001335191020  -0.001176127139


MDSTEP:  44
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -76.620600149478  -0.224751484470  0.252270918872
  -0.224751484470  -77.312550638665  -1.486905491261
  0.252270918872  -1.486905491261  -70.958798115765
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.010522553353  8.072554228397  8.050500871614  0.273858716970  0.030005010152  -0.122249764177  -0.003341281023  -0.001168617714  -0.002678663738
  1  Al  8.061195944969  1.963549165472  1.937667661738  0.210411466400  0.165850836599  0.029953150609  -0.001149461571  -0.002366345783  -0.003926338335
  2  Al  1.972739282565  8.011442477179  1.981680571287  0.059715360965  0.229525907707  0.188214076499  -0.002141314910  -0.003688037670  -0.001458640541
  3  Al  1.967131345121  1.996403684169  8.075781578940  -0.001961222148  -0.037804010198  -0.163775142000  -0.002577915003  -0.001400817321  -0.001765114987
  4  Al  0.020696023692  8.031817127247  4.179736822895  0.165783884387  0.101903381738  -0.444980308508  0.001435398587  -0.002930447838  0.004795419460
  5  Al  0.011898969276  2.021780548205  6.124353451996  -0.007217965579  -0.074774975375  -0.176678088965  0.000498292351  -0.000343703192  0.001821991920
  6  Al  1.997330293552  8.093860677091  6.056891681334  -0.014299338111  0.198303369456  0.111918070121  -0.001435058851  0.000444408332  -0.000560668066
  7  Al  2.017141629261  2.040769653758  4.105953852611  -0.044775933793  -0.114068475594  -0.026876337350  -0.000477442855  0.000386738761  0.002630429068
  8  Al  8.061887521747  4.128574980447  7.985291086037  -0.004626633650  -0.219478658670  0.258897534705  -0.001749500820  0.002975592959  -0.004586387028
  9  Al  0.027500427292  6.063385296998  2.020049088184  -0.063831221012  -0.010745731063  0.096444503632  0.001162756214  -0.000555792655  0.000120638271
  10  Al  2.075268602546  3.964993445201  2.017503941189  -0.186610438973  0.418325679984  0.260168759584  0.001869204918  -0.002505326840  0.000348864080
  11  Al  2.041512202253  6.104790777995  0.104257826969  -0.130128726560  -0.031986596478  -0.014270069709  0.000322939102  0.001341068362  0.004996172636
  12  Al  8.058603105564  4.082349858394  3.980484314462  0.304096978936  -0.093085338770  0.227007132614  -0.001045538985  0.001375328838  -0.002464174477
  13  Al  0.007120929330  6.043955534616  5.997429693754  -0.065591035489  0.022860709270  0.206147932224  0.000198267693  -0.001335234379  -0.003049886444
  14  Al  2.005530003892  4.009677885202  6.105765760201  -0.091279216268  -0.111660066195  -0.208027349353  -0.001243896998  -0.002315340828  0.000863855351
  15  Al  2.101693199401  6.084724881629  3.959253834151  -0.333295056336  -0.139913092782  0.152102541808  0.002547800524  0.000076588509  -0.003997475730
  16  Al  4.150965714782  0.107974774992  0.002744310478  -0.036317437840  -0.158480620132  0.208770233889  0.004491284189  0.004658926774  0.000781848935
  17  Al  3.938650692598  1.934285977041  2.009717264704  0.342941115407  0.170086373853  0.018038755349  -0.004081182868  -0.003681193939  -0.000720346030
  18  Al  6.146602670726  8.007841397550  1.920545970785  -0.292241745584  0.138578595291  0.225329767381  0.002357139675  -0.004062514422  -0.004227581407
  19  Al  6.102121281488  2.121857016951  7.969801542260  -0.200321264586  -0.395381064353  0.282934064204  0.000562302486  0.003417324027  -0.005498255405
  20  Al  4.077391920499  0.106012690395  4.058995925723  -0.165610245471  -0.344541132128  -0.023939214895  0.000813045413  0.003875337986  0.000266606435
  21  Al  4.075023867498  1.996015383785  6.102776757256  0.024289287687  0.160909137786  0.124901482760  0.001252125842  -0.000909666784  0.001721857355
  22  Al  6.076935654229  0.017479033183  6.090633643475  -0.015622878989  0.211639783763  0.100001124030  0.000125872116  0.001573692831  0.001012747608
  23  Al  6.152828440040  2.041308622458  4.029216297182  -0.203632962046  -0.007079841547  0.233033934703  0.002938646347  0.000707111466  -0.000108503947
  24  Al  4.074357945430  4.035661058644  0.108655083851  0.106068101949  -0.068229930617  -0.423312674433  0.001452351946  -0.000918385529  0.003908146698
  25  Al  4.014068361393  6.175573501553  2.119114997000  0.184294581762  -0.151742263329  -0.270165789573  -0.001256505827  0.004123671544  0.003636632267
  26  Al  6.020405531727  4.130438793521  1.956259994159  0.122755858967  -0.079232742974  0.224367771938  -0.002312381507  0.003661174709  -0.002620059275
  27  Al  6.033848880647  6.117830121328  0.090385741470  0.010922602389  -0.177264589867  -0.372884794907  -0.001792523852  0.001476701777  0.003367671535
  28  Al  4.070944494330  4.094065679160  4.121382400700  -0.061288033272  -0.000236315907  -0.230576000266  0.000795476334  0.001996071402  0.002492123793
  29  Al  3.969487536396  6.103146290944  6.206888820840  0.370304893932  -0.064916706280  -0.215893813333  -0.002557182715  0.001090950857  0.005316118230
  30  Al  6.099759060301  3.957214358390  6.094950964880  -0.055138938814  0.295234154142  -0.113972457232  0.001035031184  -0.003688404873  0.000782693017
  31  Al  6.158775921715  6.038601276532  4.035268355973  -0.201652555231  0.137399212518  -0.140629031349  0.003303252862  -0.001310865932  -0.001201714687


MDSTEP:  45
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -76.305830114539  -0.224851125711  0.276134341725
  -0.224851125711  -77.045220812545  -1.520394309467
  0.276134341725  -1.520394309467  -70.514685994052
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.008864154245  8.071971260755  8.049156075217  0.279488960651  0.029889630642  -0.119900080809  -0.003291812068  -0.001163263168  -0.002700311791
  1  Al  8.060630619513  1.962373406064  1.935705831467  0.212718044655  0.169780144962  0.032184953554  -0.001111634044  -0.002336340572  -0.003920783225
  2  Al  1.971671294369  8.009608718084  1.980959664131  0.058832286761  0.244773243121  0.192335586690  -0.002130716820  -0.003645635606  -0.001424619626
  3  Al  1.965842299953  1.995701585681  8.074891700746  -0.003192285711  -0.038748286178  -0.156787557544  -0.002578375723  -0.001407661051  -0.001793773103
  4  Al  0.021421133476  8.030356458380  4.182114642137  0.167229906508  0.108110535895  -0.457657921050  0.001465169823  -0.002911672718  0.004714724137
  5  Al  0.012147792811  2.021605354190  6.125256550498  -0.006916409062  -0.075846155688  -0.182210897812  0.000497028747  -0.000357168632  0.001789907457
  6  Al  1.996612124951  8.094091745359  6.056616350005  -0.007902680032  0.192825548796  0.114990989216  -0.001437043698  0.000479375026  -0.000540382530
  7  Al  2.016900906362  2.040957924311  4.107267865781  -0.044786680626  -0.115878607849  -0.035284700286  -0.000485449699  0.000366181628  0.002624871909
  8  Al  8.061012564528  4.130052966296  7.983009465166  -0.004301152642  -0.223367715046  0.267468920757  -0.001750298959  0.002936002756  -0.004539330179
  9  Al  0.028078952162  6.063106920339  2.020113718361  -0.067586809740  -0.011068588927  0.094744570969  0.001151007519  -0.000557742842  0.000137730461
  10  Al  2.076194863574  3.963759480815  2.017690002695  -0.192686913645  0.417196793667  0.265149041391  0.001835295959  -0.002430631625  0.000395827181
  11  Al  2.041667855088  6.105459882385  0.106755275419  -0.128869532525  -0.035145620248  -0.026575872256  0.000299784811  0.001335066782  0.004992521033
  12  Al  8.058093929116  4.083033361926  3.979262374375  0.309177565874  -0.100098639831  0.227470872017  -0.000990712604  0.001358058304  -0.002423544413
  13  Al  0.007217131277  6.043288939293  5.995913965283  -0.067495679736  0.022948317753  0.213696818543  0.000186369819  -0.001331139079  -0.003012352572
  14  Al  2.004903975240  4.008515223616  6.106188389116  -0.088006468011  -0.104821054302  -0.212916760003  -0.001259925032  -0.002334694112  0.000826223197
  15  Al  2.102952201472  6.084756921809  3.957261895225  -0.337080022487  -0.142856154752  0.165977199317  0.002487869389  0.000051309106  -0.003969039590
  16  Al  4.153209733497  0.110297154342  0.003144566913  -0.037932614756  -0.169309414507  0.208808947298  0.004484646278  0.004629622539  0.000819180266
  17  Al  3.936625430530  1.932452982882  2.009357898016  0.347020280313  0.173749693793  0.021883091608  -0.004019500728  -0.003650455198  -0.000716777041
  18  Al  6.147768177444  8.005816334761  1.918442252256  -0.293755221753  0.151447911001  0.232743965565  0.002304751893  -0.004036586224  -0.004186629886
  19  Al  6.102393478430  2.123548005548  7.967065061627  -0.199104578069  -0.405526866734  0.302728443076  0.000526594052  0.003345723332  -0.005445897524
  20  Al  4.077791040477  0.107934958502  4.059128158865  -0.169669407065  -0.350932032368  -0.021116308840  0.000783071611  0.003813163097  0.000262578497
  21  Al  4.075651016143  1.995567742984  6.103643268993  0.022110447080  0.164194122625  0.121630432170  0.001256273950  -0.000880602745  0.001743897163
  22  Al  6.076997891949  0.018275339834  6.091144487299  -0.020092222156  0.205959568238  0.100442333530  0.000122679208  0.001611025966  0.001030667134
  23  Al  6.154288660880  2.041661861724  4.029172461757  -0.205985579256  -0.006683512215  0.228268839242  0.002902026692  0.000705881031  -0.000067263752
  24  Al  4.075088862616  4.035198816022  0.110590235249  0.105127530308  -0.064697261363  -0.434797664292  0.001471232711  -0.000930269141  0.003831432141
  25  Al  4.013448346393  6.177628554490  2.120921236803  0.191835572170  -0.153233312289  -0.278246743153  -0.001222880014  0.004096406908  0.003587604512
  26  Al  6.019254828124  4.132265839195  1.954959993694  0.130728297017  -0.089430672174  0.231965368649  -0.002289720173  0.003646096299  -0.002579263362
  27  Al  6.032953106959  6.118560548542  0.092052909397  0.008717602332  -0.181055093189  -0.390509598958  -0.001790768029  0.001444668209  0.003299424528
  28  Al  4.071339492940  4.095063704298  4.122618155918  -0.063328621299  0.000053140054  -0.230760055514  0.000784335679  0.001996055026  0.002450880623
  29  Al  3.968225497557  6.103688864615  6.209537229566  0.373251877084  -0.065326240041  -0.217036591103  -0.002490709180  0.001079307215  0.005277414508
  30  Al  6.100274111199  3.955383352832  6.095337216853  -0.059206177787  0.312252147115  -0.122110355829  0.001024808798  -0.003634095958  0.000761587353
  31  Al  6.160418534337  6.037951985270  4.034661212554  -0.208339314394  0.140844430039  -0.136579266143  0.003266599832  -0.001285991115  -0.001226496944


MDSTEP:  46
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -75.987169603470  -0.224622367245  0.301865475915
  -0.224622367245  -76.771717845065  -1.552574004474
  0.301865475915  -1.552574004474  -70.069428046990
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.007230741285  8.071390965229  8.047800559823  0.285202013769  0.030809781173  -0.118978178134  -0.003241329029  -0.001157836677  -0.002721667366
  1  Al  8.060084310925  1.961212824900  1.933746878513  0.214730995775  0.173627401331  0.033970471533  -0.001073420352  -0.002305640141  -0.003914868969
  2  Al  1.970608565744  8.007796841572  1.980255951661  0.055262664295  0.261613602524  0.195122544713  -0.002120516799  -0.003600364922  -0.001389981099
  3  Al  1.964552969398  1.994996023119  8.073987805837  -0.005935661008  -0.039312702572  -0.151674749703  -0.002579191756  -0.001414639657  -0.001821349451
  4  Al  0.022161193515  8.028905454530  4.184451547031  0.168198260113  0.116237841632  -0.468552467969  0.001495156902  -0.002891616106  0.004631921476
  5  Al  0.012395998023  2.021423379573  6.126143359453  -0.006175880702  -0.076606541094  -0.187389695858  0.000495858304  -0.000370797813  0.001756865383
  6  Al  1.995893249854  8.094340052117  6.056351298804  -0.003363294000  0.188769999514  0.119454612600  -0.001438050869  0.000513489442  -0.000519423232
  7  Al  2.016656179561  2.041135835386  4.108578724520  -0.047002803948  -0.116890399252  -0.041523142799  -0.000493655625  0.000345372216  0.002618005333
  8  Al  8.060137222788  4.131510983203  7.980751755858  -0.003688263020  -0.228211773541  0.273877191313  -0.001751013208  0.002895631817  -0.004490934157
  9  Al  0.028651434812  6.062827554155  2.020186818646  -0.071500959794  -0.011226935297  0.091893563987  0.001138573155  -0.000559736049  0.000154415800
  10  Al  2.077103898505  3.962562813576  2.017899768369  -0.200473841120  0.414040481291  0.269093143810  0.001800147620  -0.002356319505  0.000443588116
  11  Al  2.041811987063  6.106125844777  0.109250348001  -0.129359276657  -0.038672814193  -0.041494424827  0.000276699308  0.001328467458  0.004986435588
  12  Al  8.057612392960  4.083707916699  3.978060770050  0.314234547353  -0.109104169856  0.229791908024  -0.000934979930  0.001339355697  -0.002382665391
  13  Al  0.007307299149  6.042624395537  5.994417341182  -0.069564745265  0.022569267504  0.222768520955  0.000174116698  -0.001327069834  -0.002973332829
  14  Al  2.004270078861  4.007343191090  6.106591983398  -0.086264590099  -0.099426403052  -0.216825264842  -0.001275504761  -0.002352953714  0.000787804515
  15  Al  2.104181068789  6.084776190734  3.955284794561  -0.342898349857  -0.146421552799  0.182021367884  0.002427079725  0.000025447850  -0.003937928724
  16  Al  4.155450361060  0.112604397531  0.003563490744  -0.039622706529  -0.178622655106  0.206424824372  0.004477712878  0.004598517618  0.000856301919
  17  Al  3.934631191870  1.930635521843  2.009000487664  0.350869967451  0.178360537776  0.024535472383  -0.003957109753  -0.003618976752  -0.000712627248
  18  Al  6.148907422619  8.003804811326  1.916359340899  -0.292282612607  0.166397631138  0.239184998002  0.002252360458  -0.004008171020  -0.004144439716
  19  Al  6.102647875541  2.125202740283  7.964355644737  -0.196182613904  -0.415564983925  0.321268959526  0.000491255611  0.003272318207  -0.005390112525
  20  Al  4.078174992110  0.109825853492  4.059258504221  -0.173350527918  -0.355328618390  -0.015691371647  0.000752405832  0.003750023813  0.000259287913
  21  Al  4.076280141448  1.995134781040  6.104520654418  0.019516629023  0.168093472773  0.119066368701  0.001259995386  -0.000850896430  0.001765415314
  22  Al  6.077058333437  0.019090059149  6.091664310609  -0.022573643509  0.201222634484  0.101665452698  0.000118864904  0.001647427814  0.001048735451
  23  Al  6.155730466732  2.042014503489  4.029149033431  -0.206038939536  -0.006031295611  0.224983505252  0.002865191944  0.000704744334  -0.000026743260
  24  Al  4.075829178141  4.034730789503  0.112486515993  0.103793150475  -0.062557250692  -0.448475009398  0.001489910096  -0.000941645619  0.003752468087
  25  Al  4.012845481379  6.179669908460  2.122702601512  0.199173908619  -0.155233496243  -0.287488200046  -0.001187923998  0.004068830158  0.003537028143
  26  Al  6.018115811554  4.134084889820  1.953680730797  0.140670583531  -0.101672311604  0.238684120131  -0.002265457274  0.003629011806  -0.002537187577
  27  Al  6.032058112618  6.119274789537  0.093685165998  0.008645637263  -0.185136782556  -0.410770246206  -0.001789215766  0.001411930873  0.003227790584
  28  Al  4.071728830009  4.096061734186  4.123833281323  -0.065353501178  -0.001589039783  -0.228372010917  0.000772831574  0.001995917717  0.002409834488
  29  Al  3.966996827216  6.104225598159  6.212166235348  0.375901230225  -0.066464205554  -0.217003346528  -0.002423735336  0.001067525227  0.005238611594
  30  Al  6.100783869099  3.953580262432  6.095712552233  -0.061730731387  0.328542844605  -0.129640559775  0.001013997110  -0.003576809265  0.000739080970
  31  Al  6.162042521547  6.037315285416  4.034041859029  -0.212836645855  0.143788435372  -0.129928357232  0.003228946951  -0.001260545106  -0.001250322568


MDSTEP:  47
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -75.659521699405  -0.223710799909  0.329355337457
  -0.223710799909  -76.496119064670  -1.581371737576
  0.329355337457  -1.581371737576  -69.626621794551
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.005622825216  8.070813424079  8.046434407851  0.289538005896  0.029842201103  -0.114609882779  -0.003189947612  -0.001152414425  -0.002742550000
  1  Al  8.059557199161  1.960067765923  1.931790962498  0.215827994828  0.177466051029  0.037328027469  -0.001034928634  -0.002274252594  -0.003908494926
  2  Al  1.969550777569  8.006008353162  1.979569683032  0.054590801043  0.277013612489  0.200098990017  -0.002110695964  -0.003552211968  -0.001354648527
  3  Al  1.963263108197  1.994286946024  8.073070351295  -0.006373976763  -0.040078959525  -0.142353826099  -0.002580292230  -0.001421737224  -0.001847635431
  4  Al  0.022916290378  8.027464842274  4.186746563613  0.168229555940  0.122136144295  -0.482650991681  0.001525233350  -0.002870305612  0.004546884450
  5  Al  0.012643651115  2.021234556377  6.127013415881  -0.007156549232  -0.077477200268  -0.193990897360  0.000494666392  -0.000384572808  0.001722770184
  6  Al  1.995174074081  8.094605234801  6.056096926773  0.004208621408  0.181769405607  0.121584431169  -0.001437975298  0.000546615446  -0.000497874484
  7  Al  2.016407250737  2.041303296528  4.109885871114  -0.046116589604  -0.118382515178  -0.052062671971  -0.000501980444  0.000324338957  0.002609638816
  8  Al  8.059261551320  4.132948598113  7.978518531009  -0.004196953173  -0.231276766051  0.283879109060  -0.001751718142  0.002854553814  -0.004441071074
  9  Al  0.029217525318  6.062547184290  2.020268134161  -0.076440789224  -0.011539171445  0.090614297333  0.001125347250  -0.000561771326  0.000170731895
  10  Al  2.077995011194  3.961403161310  2.018133590811  -0.205777198882  0.412406696461  0.274729096093  0.001763829018  -0.002282435617  0.000492205502
  11  Al  2.041944554396  6.106788349843  0.111741711007  -0.127244547995  -0.042193417005  -0.053383905384  0.000253759078  0.001321238064  0.004977953522
  12  Al  8.057158949186  4.084372717623  3.976879708985  0.317862398479  -0.115728097778  0.228527101167  -0.000878470837  0.001319255825  -0.002341691943
  13  Al  0.007391247975  6.041961869459  5.992940632454  -0.072364363689  0.022608913587  0.229436876223  0.000161428320  -0.001323030931  -0.002932905935
  14  Al  2.003628470479  4.006162269902  6.106976193630  -0.081813436711  -0.091108448440  -0.222544778980  -0.001290530837  -0.002369987417  0.000748525093
  15  Al  2.105379281197  6.084782369659  3.953323966501  -0.345704507308  -0.149589728181  0.195367813795  0.002365519037  -0.000001015383  -0.003904190354
  16  Al  4.157687446376  0.114895671960  0.004000868832  -0.040317240364  -0.190556280676  0.207215815591  0.004470566294  0.004565513240  0.000893281148
  17  Al  3.932668320777  1.928834006130  2.008645270768  0.355478247965  0.182151509739  0.029704604649  -0.003893962641  -0.003586747188  -0.000707778218
  18  Al  6.150020537902  8.001808163741  1.914297812539  -0.293798988503  0.179346678625  0.247594423367  0.002199965110  -0.003977261684  -0.004100921924
  19  Al  6.102884734041  2.126820323755  7.961674949101  -0.195098857519  -0.425612095311  0.343095742557  0.000456275279  0.003197117474  -0.005330718714
  20  Al  4.078543446309  0.111684982314  4.059387446777  -0.176176419060  -0.361864934104  -0.013865559790  0.000721158330  0.003685907134  0.000256645540
  21  Al  4.076911011529  1.994716846553  6.105408684307  0.018077896229  0.171402284024  0.114297157114  0.001263356315  -0.000820545711  0.001786277875
  22  Al  6.077116756854  0.019922767648  6.092193222750  -0.027968162606  0.194064272712  0.100969392907  0.000114346497  0.001682766229  0.001066850886
  23  Al  6.157153852825  2.042366606059  4.029145718496  -0.208841756713  -0.005408463798  0.218166087092  0.002828101856  0.000703721627  0.000012874051
  24  Al  4.076578772712  4.034257170403  0.114342703336  0.103265787996  -0.058027271316  -0.458462611508  0.001508421043  -0.000952425804  0.003671388401
  25  Al  4.012260422395  6.181697384648  2.124458264946  0.208105506413  -0.156718744781  -0.294760721603  -0.001151513459  0.004040941812  0.003484975434
  26  Al  6.016989370850  4.135894851001  1.952422806118  0.148346437169  -0.111770731315  0.247531197841  -0.002239619324  0.003609930124  -0.002493720215
  27  Al  6.031163891193  6.119972479414  0.095280699981  0.005812713946  -0.188775502857  -0.427491365406  -0.001787923198  0.001378503336  0.003152850493
  28  Al  4.072112324514  4.097059622015  4.125027990406  -0.066419517999  -0.000936661849  -0.229614913498  0.000761051144  0.001995691921  0.002368890728
  29  Al  3.965801762221  6.104756389842  6.214775841160  0.379334689975  -0.066884419580  -0.218644355085  -0.002356217692  0.001055603939  0.005199664948
  30  Al  6.101288108309  3.951806543568  6.096076297823  -0.066603033988  0.346728273848  -0.139142468237  0.001002524147  -0.003516440426  0.000715051927
  31  Al  6.163647481287  6.036691440164  4.033410889985  -0.220265767953  0.146993365939  -0.126561214065  0.003190227851  -0.001234549385  -0.001273252584


MDSTEP:  48
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -75.328868866249  -0.223047732974  0.358341461363
  -0.223047732974  -76.214646228610  -1.608451421663
  0.358341461363  -1.608451421663  -69.184187417377
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.004040793673  8.070238550803  8.045058009823  0.296464238980  0.030421695189  -0.113993462536  -0.003137559358  -0.001147026869  -0.002762987004
  1  Al  8.059049382292  1.958938572306  1.929838383587  0.218868651640  0.180480947778  0.038560139046  -0.000996067011  -0.002242252344  -0.003901710569
  2  Al  1.968497869780  8.004244629604  1.978901303134  0.050364644306  0.294322852017  0.202396176099  -0.002101313010  -0.003501134826  -0.001318665698
  3  Al  1.961972677167  1.993574285895  8.072140170406  -0.009667217634  -0.041501935156  -0.137083829288  -0.002581726304  -0.001429030508  -0.001872616992
  4  Al  0.023686426865  8.026035148917  4.188998431482  0.170121069192  0.130232823430  -0.492496403560  0.001555481695  -0.002847743976  0.004459706851
  5  Al  0.012890664416  2.021038806766  6.127866129637  -0.005441814829  -0.078892185445  -0.198729497270  0.000493540106  -0.000398552138  0.001687661213
  6  Al  1.994455274557  8.094886667562  6.055853424319  0.008651314168  0.176615138463  0.126466970152  -0.001436825627  0.000578654812  -0.000475698836
  7  Al  2.016154199118  2.041460174343  4.111188363336  -0.048702545124  -0.120357379009  -0.058056951740  -0.000510457218  0.000302995752  0.002599794187
  8  Al  8.058385504646  4.134365537017  7.976310684785  -0.002297173393  -0.235871187410  0.289654909690  -0.001752298713  0.002812791063  -0.004389797472
  9  Al  0.029776782062  6.062265782830  2.020357550541  -0.079300556586  -0.010817501069  0.087004118131  0.001111424066  -0.000563769999  0.000186610876
  10  Al  2.078867727523  3.960280377959  2.018391973871  -0.214172231548  0.408517462164  0.277840242137  0.001726285788  -0.002209045483  0.000541604874
  11  Al  2.042065746141  6.107447082842  0.114228301523  -0.128027682225  -0.044988229427  -0.070003165074  0.000230937892  0.001313444077  0.004966922791
  12  Al  8.056733922122  4.085027172524  3.975719078107  0.323662805381  -0.124594149178  0.231269753896  -0.000821118864  0.001297771159  -0.002300586376
  13  Al  0.007468727469  6.041301364605  5.991484435247  -0.072921501561  0.023193962326  0.239113975674  0.000148439850  -0.001318936181  -0.002891017766
  14  Al  2.002979548024  4.004973203673  6.107340508491  -0.080354837351  -0.084763703278  -0.225799549231  -0.001305028585  -0.002385710283  0.000708443376
  15  Al  2.106546587827  6.084775175351  3.951380604207  -0.351976465121  -0.152144874136  0.212731441342  0.002303146772  -0.000027990278  -0.003867706523
  16  Al  4.159920927354  0.117169910771  0.004456771892  -0.043345332199  -0.200641218839  0.203415110320  0.004463086910  0.004530540415  0.000929991309
  17  Al  3.930737229229  1.927048774655  2.008292709446  0.357545982450  0.185724971643  0.032215161966  -0.003830218697  -0.003553859249  -0.000702242627
  18  Al  6.151107387729  7.999827549643  1.912258418975  -0.291158515907  0.194783273471  0.253598325523  0.002147670255  -0.003943814688  -0.004056115589
  19  Al  6.103104150820  2.128399857757  7.959024926022  -0.191055617757  -0.436259010909  0.361559551503  0.000421753298  0.003120066707  -0.005267722948
  20  Al  4.078896150440  0.113511760626  4.059515149761  -0.180996938177  -0.366054261175  -0.007311792713  0.000689227243  0.003620831589  0.000254752298
  21  Al  4.077543497763  1.994314235329  6.106306932293  0.014136164224  0.174191957574  0.111635897566  0.001266236233  -0.000789649790  0.001806476156
  22  Al  6.077172679934  0.020772825378  6.092731161495  -0.030219778474  0.188488830884  0.102374423505  0.000109144529  0.001716966250  0.001085029703
  23  Al  6.158558568588  2.042718225115  4.029161907481  -0.208055132461  -0.005608300781  0.215102144269  0.002790831521  0.000702736734  0.000051607974
  24  Al  4.077337599184  4.033778363700  0.116157904394  0.100384636262  -0.055262556540  -0.472911423611  0.001526627270  -0.000962553847  0.003588124114
  25  Al  4.011693967920  6.183710850273  2.126187576946  0.214323176823  -0.157654959758  -0.304443952897  -0.001113748585  0.004012836989  0.003431406891
  26  Al  6.015876192230  4.137694819944  1.951187010581  0.159192278624  -0.124168541253  0.253801023054  -0.002212125545  0.003588837293  -0.002448901412
  27  Al  6.030270189421  6.120653292873  0.096838016490  0.006127925445  -0.191958862357  -0.448900246688  -0.001786855711  0.001344465909  0.003074501601
  28  Al  4.072489881153  4.098057426107  4.126202172052  -0.069664984522  -0.002497334594  -0.226092944015  0.000748885270  0.001995384924  0.002328150716
  29  Al  3.964640609524  6.105281202098  6.217365900296  0.380073885614  -0.066984690218  -0.217794991468  -0.002288327015  0.001043636120  0.005160647529
  30  Al  6.101786393247  3.950063822006  6.096427604159  -0.068596987211  0.363366297204  -0.146353708194  0.000990437346  -0.003452958392  0.000689528737
  31  Al  6.165232749398  6.036080736032  4.032768606445  -0.223961461030  0.150680668389  -0.118767445590  0.003150514200  -0.001207937502  -0.001295184821


MDSTEP:  49
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -74.990104006011  -0.221058285972  0.389263935486
  -0.221058285972  -75.930708532389  -1.632116432189
  0.389263935486  -1.632116432189  -68.743882408529
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.002485265858  8.069666397210  8.043671420847  0.300039433428  0.029314019999  -0.108465081022  -0.003084232283  -0.001141686531  -0.002782874666
  1  Al  8.058561132150  1.957825513579  1.927889251929  0.219020488007  0.184351093822  0.042761823923  -0.000956919981  -0.002209636576  -0.003894440433
  2  Al  1.967449464560  8.002507218336  1.978251017334  0.050368749610  0.310017894410  0.207782584931  -0.002092307504  -0.003447107121  -0.001281995960
  3  Al  1.960681381894  1.992857915516  8.071197734303  -0.008927249408  -0.041943007179  -0.126429328713  -0.002583388638  -0.001436490436  -0.001896174912
  4  Al  0.024471772074  8.024617098298  4.191206270464  0.169181121539  0.136464631907  -0.507281684319  0.001585815110  -0.002823901382  0.004370327282
  5  Al  0.013137191221  2.020836004239  6.128701077094  -0.007038307796  -0.079244074305  -0.206071074301  0.000492424391  -0.000412689426  0.001651472282
  6  Al  1.993737248454  8.095183889613  6.055621227938  0.017448255210  0.168944057814  0.128114605371  -0.001434492341  0.000609547599  -0.000452939394
  7  Al  2.015896793519  2.041606292280  4.112485665301  -0.046843455615  -0.121176226540  -0.069609436188  -0.000518998974  0.000281402791  0.002588380888
  8  Al  8.057509252607  4.135761389176  7.974128733537  -0.003255166666  -0.238784667665  0.300089116320  -0.001752795089  0.002770357111  -0.004337074705
  9  Al  0.030328949384  6.061983414291  2.020454745037  -0.084833377532  -0.011211975519  0.085996704420  0.001096750590  -0.000565739421  0.000202077047
  10  Al  2.079721296982  3.959194115827  2.018675195684  -0.218186260564  0.406097956739  0.283865584405  0.001687633194  -0.002136219347  0.000591821042
  11  Al  2.042175492288  6.108101793920  0.116708633798  -0.124643000697  -0.048958195927  -0.081887781964  0.000208349282  0.001305045322  0.004953343830
  12  Al  8.056337830322  4.085670488782  3.974579122608  0.326487233127  -0.131531851513  0.229168982871  -0.000762995835  0.001274873646  -0.002259423426
  13  Al  0.007539687825  6.040642933278  5.990049614688  -0.076107570134  0.022846775273  0.245337619013  0.000135116739  -0.001314820167  -0.002847708080
  14  Al  2.002323441894  4.003776559619  6.107684637006  -0.074683950473  -0.075912832876  -0.232078383701  -0.001318888961  -0.002400074670  0.000667509359
  15  Al  2.107682427969  6.084754379381  3.949456259978  -0.353515193873  -0.155764991560  0.225755083887  0.002240076235  -0.000055517238  -0.003828506087
  16  Al  4.162150533285  0.119426212375  0.004930860142  -0.043762158076  -0.212634875969  0.204484627360  0.004455299552  0.004493593777  0.000966457304
  17  Al  3.928838102081  1.925280146882  2.007943028141  0.362404251372  0.190044313049  0.037904887478  -0.003765855572  -0.003520265697  -0.000695973936
  18  Al  6.152168208157  7.997864349053  1.910241696950  -0.292880448826  0.208436358862  0.262654839714  0.002095457517  -0.003907767091  -0.004009962862
  19  Al  6.103306487339  2.129940390462  7.956407226153  -0.190622953736  -0.445906042009  0.384634456208  0.000387631460  0.003041201674  -0.005201013646
  20  Al  4.079232673552  0.115305813903  4.059642199075  -0.183147112235  -0.372193572767  -0.005842702466  0.000656672981  0.003554832669  0.000253576294
  21  Al  4.078177247762  1.993927196763  6.107215160463  0.012974220254  0.177789882806  0.105902223120  0.001268659885  -0.000758182822  0.001825923936
  22  Al  6.077225901383  0.021639733898  6.093278252452  -0.036604852004  0.180752897167  0.100881802523  0.000103170447  0.001749976242  0.001103200689
  23  Al  6.159944684345  2.043069342793  4.029197326471  -0.211434156384  -0.004662183355  0.207019474836  0.002753329426  0.000701818559  0.000089345397
  24  Al  4.078105399982  4.033294616556  0.117930827450  0.099945157994  -0.050579210496  -0.481880916907  0.001544536635  -0.000972016039  0.003502766244
  25  Al  4.011146673810  6.185710221637  2.127889671836  0.223699621230  -0.159465288506  -0.311234077254  -0.001074589606  0.003984486627  0.003376365639
  26  Al  6.014777245306  4.139483688294  1.949973904706  0.166010826621  -0.134774173568  0.263263714197  -0.002183052580  0.003565687967  -0.002402676130
  27  Al  6.029377035482  6.121316945323  0.098355201583  0.002428371152  -0.195867402373  -0.465342147510  -0.001786090784  0.001309794470  0.002992768873
  28  Al  4.072861209784  4.099055006939  4.127356141122  -0.070348712961  -0.002056829335  -0.227726320391  0.000736368128  0.001994977784  0.002287579542
  29  Al  3.963513435206  6.105800025962  6.219936488689  0.383589778012  -0.067775683820  -0.219624897693  -0.002220055936  0.001031588622  0.005121542450
  30  Al  6.102278545654  3.948353585175  6.096765826561  -0.074499310396  0.381926431241  -0.156636648573  0.000977644621  -0.003386329664  0.000662441579
  31  Al  6.166797995487  6.035483502662  4.032115705165  -0.232264270182  0.153456772189  -0.115507649576  0.003109727890  -0.001180747795  -0.001316128876


MDSTEP:  50
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -74.648111248460  -0.219861201903  0.422397870213
  -0.219861201903  -75.642128214537  -1.654009905142
  0.422397870213  -1.654009905142  -68.305784277049
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.000956561391  8.069096864272  8.042275135157  0.305419170443  0.029928022389  -0.106184989013  -0.003030104642  -0.001136390328  -0.002802064255
  1  Al  8.058092462311  1.956728935730  1.925943943154  0.220624371435  0.187959122270  0.044387741062  -0.000917615991  -0.002176352263  -0.003886649314
  2  Al  1.966405562276  8.000797522483  1.977619307174  0.046494029080  0.327988767717  0.210291721173  -0.002083648029  -0.003390069704  -0.001244620364
  3  Al  1.959389288529  1.992137795458  8.070243995493  -0.011676414717  -0.042711671348  -0.119184530907  -0.002585230593  -0.001444058515  -0.001918132646
  4  Al  0.025272241975  8.023211247536  4.193368758763  0.169561589851  0.144788692704  -0.518184737552  0.001616098508  -0.002798757501  0.004278651191
  5  Al  0.013383088806  2.020626117339  6.129517601919  -0.006797624944  -0.079924218631  -0.210961880735  0.000491187466  -0.000426918978  0.001614189782
  6  Al  1.993020782216  8.095496215162  6.055400484926  0.022804305270  0.163273803838  0.132697454320  -0.001430893786  0.000639247679  -0.000429622950
  7  Al  2.015635200144  2.041741577134  4.113776744224  -0.048626907457  -0.122485865599  -0.077364861414  -0.000527533968  0.000259619544  0.002575241473
  8  Al  8.056632709557  4.137135894128  7.971973610079  -0.002445329134  -0.243439889947  0.307197437942  -0.001753304710  0.002727246521  -0.004282783647
  9  Al  0.030873532652  6.061700043409  2.020559627588  -0.088968314525  -0.011183744515  0.082217533475  0.001081212821  -0.000567741585  0.000217115301
  10  Al  2.080555360718  3.958144158612  2.018983794913  -0.225958743558  0.401277824127  0.286782295974  0.001647926894  -0.002064040430  0.000642836624
  11  Al  2.042274095423  6.108752128164  0.119181645353  -0.124785749179  -0.052675926318  -0.097965424180  0.000186050500  0.001295959292  0.004937265060
  12  Al  8.055970926287  4.086302046170  3.973459654681  0.330676310436  -0.140621290988  0.230355892803  -0.000704245804  0.001250543316  -0.002218342174
  13  Al  0.007603844208  6.039986544439  5.988636727167  -0.077783420384  0.022871730339  0.254742126860  0.000121358976  -0.001310732959  -0.002803001247
  14  Al  2.001660659063  4.002573129003  6.108008017851  -0.072452263699  -0.069087933505  -0.235455405183  -0.001332042851  -0.002413037653  0.000625712116
  15  Al  2.108786664062  6.084719658113  3.947552098120  -0.359055893667  -0.158937004811  0.242439545974  0.002176372802  -0.000083651410  -0.003786649764
  16  Al  4.164376226906  0.121663504547  0.005423229196  -0.045749836339  -0.222891788491  0.201467503897  0.004447297232  0.004454657951  0.001002749185
  17  Al  3.926971373657  1.923528508958  2.007596735510  0.365168998190  0.194201528016  0.041003586894  -0.003700810954  -0.003485914347  -0.000688919565
  18  Al  6.153202845246  7.995919782551  1.908248456113  -0.290275710747  0.224449912211  0.268912928212  0.002043323702  -0.003869067315  -0.003962441018
  19  Al  6.103491782280  2.131441059431  7.953823912377  -0.186417250192  -0.455837246019  0.404660915979  0.000353924289  0.002960586358  -0.005130451107
  20  Al  4.079552823421  0.117066593295  4.059768726054  -0.186701790197  -0.375714905001  -0.000369808608  0.000623608708  0.003487970094  0.000253020899
  21  Al  4.078812157648  1.993556052507  6.108132856229  0.009960996320  0.181100812436  0.102460105796  0.001270710280  -0.000726098206  0.001844551404
  22  Al  6.077275850381  0.022522801620  6.093834362184  -0.039441397014  0.174595977878  0.101983871892  0.000096371957  0.001781744221  0.001121336760
  23  Al  6.161311898014  2.043420043675  4.029251252878  -0.210947781288  -0.004044434086  0.202171792397  0.002715568731  0.000701040193  0.000125926854
  24  Al  4.078882135818  4.032806347661  0.119660670637  0.097768763223  -0.047605993143  -0.494813519310  0.001562212142  -0.000980793738  0.003415450339
  25  Al  4.010619378313  6.187695336899  2.129563942585  0.231300702344  -0.160770747104  -0.320742794184  -0.001033912847  0.003955857715  0.003319867281
  26  Al  6.013693139651  4.141260507911  1.948784334451  0.176660946549  -0.147708979688  0.269879478139  -0.002152417926  0.003540434141  -0.002355013444
  27  Al  6.028484098637  6.121963087343  0.099830785363  0.002361254639  -0.199421186863  -0.485850406746  -0.001785662594  0.001274455905  0.002907732821
  28  Al  4.073226249281  4.100052403891  4.128489751594  -0.072380267390  -0.004065044597  -0.225124821177  0.000723608242  0.001994430492  0.002247094918
  29  Al  3.962420553588  6.106312790720  6.222487442746  0.385095308019  -0.068356097369  -0.218660998109  -0.002151335944  0.001019418522  0.005082359950
  30  Al  6.102764037868  3.946677492342  6.097090045738  -0.077019039526  0.398642122400  -0.164318146753  0.000964098970  -0.003316547297  0.000633748410
  31  Al  6.168342477288  6.034899988237  4.031452477569  -0.236413011844  0.156405651696  -0.108469608918  0.003067828418  -0.001153046278  -0.001336152310


MDSTEP:  51
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -74.301089969009  -0.216913294876  0.457445704408
  -0.216913294876  -75.351288051352  -1.672880526795
  0.457445704408  -1.672880526795  -67.870176822867
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.999455161216  8.068530006882  8.040869356592  0.309776968198  0.029244928202  -0.101974360576  -0.002975106472  -0.001131100301  -0.002820673578
  1  Al  8.057643516159  1.955649161316  1.924002602616  0.221238694362  0.192024000573  0.048058716267  -0.000878113694  -0.002142381997  -0.003878384655
  2  Al  1.965365816531  7.999117148632  1.977006396970  0.045448155431  0.344271187698  0.215274292734  -0.002075428452  -0.003329970062  -0.001206575014
  3  Al  1.958096151300  1.991413857002  8.069279601657  -0.012011950344  -0.043005941497  -0.109464697075  -0.002587348319  -0.001451721618  -0.001938573752
  4  Al  0.026087870582  8.021818340797  4.195484921654  0.169132527008  0.151436712008  -0.531067430372  0.001646377562  -0.002772275125  0.004184848668
  5  Al  0.013628378688  2.020409085261  6.130315266876  -0.007848823882  -0.080025000474  -0.217790574885  0.000489878083  -0.000441218343  0.001575859567
  6  Al  1.992306354668  8.095823137292  6.055191604988  0.030616577516  0.155406866027  0.134784352706  -0.001426117991  0.000667737542  -0.000405710235
  7  Al  2.015369259551  2.041865911824  4.115060906774  -0.047804847673  -0.123226420820  -0.087650010594  -0.000536154910  0.000237653011  0.002560489241
  8  Al  8.055755947897  4.138488635697  7.969845949891  -0.002433044150  -0.246843828993  0.316104764669  -0.001753740834  0.002683415447  -0.004227060799
  9  Al  0.031410162205  6.061415672706  2.020671860337  -0.093669005038  -0.011736045294  0.080735465186  0.001064885153  -0.000569790601  0.000231683202
  10  Al  2.081369223876  3.957130075396  2.019318032309  -0.231099653934  0.397795827758  0.291942215461  0.001607066144  -0.001992603719  0.000694574253
  11  Al  2.042361542787  6.109397753211  0.121645898858  -0.122294621182  -0.056883754509  -0.112016228464  0.000163961661  0.001286164721  0.004918492824
  12  Al  8.055633584518  4.086921032098  3.972360780435  0.334008190483  -0.147980326766  0.229570912019  -0.000644823403  0.001224742502  -0.002177224990
  13  Al  0.007661046800  6.039332200319  5.987246613441  -0.079929995408  0.022495104648  0.261426395272  0.000107259490  -0.001306677191  -0.002756856087
  14  Al  2.000991399043  4.001363521966  6.108310349121  -0.067830895642  -0.060074327962  -0.241169938595  -0.001344584082  -0.002424584683  0.000583102092
  15  Al  2.109858800770  6.084670727971  3.945669610214  -0.361648978006  -0.162492733351  0.257300824901  0.002111942213  -0.000112387038  -0.003741973271
  16  Al  4.166597830518  0.123880870326  0.005933609326  -0.047157783443  -0.234700804746  0.200677975569  0.004438991346  0.004413749444  0.001038700752
  17  Al  3.925137291126  1.921794232535  2.007254108575  0.368731896116  0.198532919311  0.046429279390  -0.003635200649  -0.003450804119  -0.000681103119
  18  Al  6.154211531859  7.993995281739  1.906279255932  -0.290414309187  0.239078663737  0.277523240908  0.001991410358  -0.003827628135  -0.003913589948
  19  Al  6.103660411628  2.132900976820  7.951276775046  -0.184167751095  -0.465241724542  0.426627860605  0.000320794209  0.002878242443  -0.005056134382
  20  Al  4.079856282260  0.118793783997  4.059895219973  -0.189558737557  -0.381117486563  0.002735676154  0.000589971239  0.003420309727  0.000253232406
  21  Al  4.079447958041  1.993201098557  6.109059711867  0.007752666859  0.184548642543  0.096665669650  0.001272293871  -0.000693409362  0.001862353131
  22  Al  6.077322273341  0.023421478119  6.094399589212  -0.044661346989  0.166833236094  0.100587507812  0.000088853222  0.001812267791  0.001139446521
  23  Al  6.162660253076  2.043770382986  4.029323253324  -0.212835553972  -0.003065363202  0.195185612428  0.002677682752  0.000700404581  0.000161450371
  24  Al  4.079667612124  4.032313822819  0.121346277789  0.096035404166  -0.043042700959  -0.505017727421  0.001579538120  -0.000988897677  0.003326066018
  25  Al  4.010112760963  6.189666079352  2.131209539118  0.239655226678  -0.162235328804  -0.327776817470  -0.000991809666  0.003926981163  0.003261890012
  26  Al  6.012624827380  4.143024122434  1.947618891262  0.184877292547  -0.159232280664  0.278769471910  -0.002120096621  0.003512993774  -0.002305964553
  27  Al  6.027591372888  6.122591401228  0.101262934404  -0.000217626624  -0.203380301427  -0.504009532298  -0.001785470955  0.001238445690  0.002819239929
  28  Al  4.073584818026  4.101049437431  4.129603236040  -0.073929425732  -0.004140782389  -0.224847416684  0.000710528242  0.001993696896  0.002206867667
  29  Al  3.961362099263  6.106819444483  6.225018848639  0.387115758359  -0.069215539590  -0.220139088804  -0.002082300732  0.001007119699  0.005043131482
  30  Al  6.103242644625  3.945037037878  6.097399574971  -0.081573960366  0.416906526924  -0.174299975236  0.000949920850  -0.003243637731  0.000603476151
  31  Al  6.169865823905  6.034330456384  4.030779552855  -0.243301047499  0.159066077029  -0.103176435164  0.003024942265  -0.001124843292  -0.001355073341


MDSTEP:  52
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -73.951890497015  -0.214737020622  0.493919514064
  -0.214737020622  -75.055466399728  -1.689370548380
  0.493919514064  -1.689370548380  -67.437634933047
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.997981454919  8.067965763971  8.039454461580  0.316101908600  0.029918970513  -0.100501665996  -0.002919153271  -0.001125811083  -0.002838774814
  1  Al  8.057214348616  1.954586553733  1.922065558499  0.223425836185  0.195444398356  0.049382352110  -0.000838360949  -0.002107742551  -0.003869673481
  2  Al  1.964330133824  7.997467552421  1.976412732160  0.041060687442  0.362475661633  0.217318816590  -0.002067694613  -0.003266787312  -0.001167901447
  3  Al  1.956801940210  1.990686073840  8.068305421742  -0.014815956438  -0.043796697152  -0.103063965046  -0.002589746718  -0.001459481723  -0.001957573688
  4  Al  0.026918619536  8.020438972411  4.197553607431  0.170119073795  0.160238500866  -0.540453339449  0.001676706454  -0.002744411546  0.004089055346
  5  Al  0.013872966889  2.020184898996  6.131093461485  -0.006651591990  -0.080575733679  -0.222459781399  0.000488581754  -0.000455575954  0.001536501445
  6  Al  1.991594664225  8.096163952704  6.054994774691  0.035808355450  0.149698774305  0.139780915949  -0.001420179641  0.000695013806  -0.000381164262
  7  Al  2.015099045234  2.041979230144  4.116337233465  -0.049986333929  -0.124562012545  -0.094141912674  -0.000544897383  0.000215500872  0.002544237150
  8  Al  8.054878968724  4.139819309574  7.967746549280  -0.000481378656  -0.251545830966  0.321872546175  -0.001754001381  0.002638859706  -0.004170026005
  9  Al  0.031938417805  6.061130252808  2.020791310790  -0.096796242307  -0.011507155656  0.076304806191  0.001047857673  -0.000571868529  0.000245722509
  10  Al  2.082162426861  3.956151554893  2.019678369166  -0.239104832195  0.392210601794  0.294069342779  0.001565030141  -0.001921977612  0.000746963339
  11  Al  2.042438057084  6.110038292885  0.124100138178  -0.122681260887  -0.060664119344  -0.129677442934  0.000142060962  0.001275656011  0.004896885553
  12  Al  8.055326102884  4.087526788672  3.971282429691  0.338828427401  -0.157472081016  0.231803895392  -0.000584672208  0.001197435238  -0.002135978355
  13  Al  0.007711103698  6.038679867247  5.985879871080  -0.080494202098  0.022592961024  0.271421395826  0.000092917661  -0.001302646345  -0.002709219810
  14  Al  2.000316074981  4.000148544320  6.108591119943  -0.065976574078  -0.053296409401  -0.243982715946  -0.001356546391  -0.002434719959  0.000539729732
  15  Al  2.110898606275  6.084607271075  3.943810124849  -0.367477268985  -0.165433387628  0.275130164609  0.002046758758  -0.000141703439  -0.003694374256
  16  Al  4.168815218252  0.126077253991  0.006461929949  -0.050387200483  -0.244663554134  0.195965764169  0.004430270882  0.004370894554  0.001074160468
  17  Al  3.923336173008  1.920077704838  2.006915632391  0.370188572800  0.202781267970  0.049011694720  -0.003569141597  -0.003414926869  -0.000672570752
  18  Al  6.155194255604  7.992092154417  1.904334866165  -0.286680918741  0.255853784314  0.283349471109  0.001939818386  -0.003783381467  -0.003863448260
  19  Al  6.103812576489  2.134319301875  7.948767777994  -0.179353482163  -0.474983099703  0.445931995117  0.000288295626  0.002794186901  -0.004978128048
  20  Al  4.080142794660  0.120486903022  4.060021958460  -0.194005254299  -0.384009279916  0.009767855971  0.000555680846  0.003351907847  0.000254350214
  21  Al  4.080084451519  1.992862643145  6.109995209360  0.003403956807  0.187534191243  0.093377583051  0.001273291266  -0.000660145377  0.001879342885
  22  Al  6.077364703603  0.024335069411  6.094973808705  -0.047095738011  0.160610066483  0.101706498120  0.000080650193  0.001841541028  0.001157531486
  23  Al  6.163989580766  2.044120448256  4.029412703249  -0.211547244112  -0.002617755791  0.191148299520  0.002639743181  0.000699896514  0.000195988394
  24  Al  4.080461673939  4.031817449984  0.122986736655  0.092516407174  -0.040392382181  -0.518761501396  0.001596394541  -0.000996356724  0.003234540761
  25  Al  4.009627568648  6.191622318062  2.132825832597  0.245944823375  -0.163389399315  -0.337532166009  -0.000948397309  0.003897870505  0.003202411783
  26  Al  6.011573043029  4.144773501685  1.946478369898  0.195976559379  -0.172798787696  0.284853479874  -0.002086048513  0.003483310393  -0.002255576995
  27  Al  6.026698627682  6.123201533033  0.102650025292  0.000240227898  -0.206866355221  -0.525852601133  -0.001785468934  0.001201769882  0.002727170864
  28  Al  4.073936777523  4.102046100788  4.130696619261  -0.076943141427  -0.006600247166  -0.220869769707  0.000697040324  0.001992736655  0.002167020814
  29  Al  3.960338252856  6.107319910418  6.227530574228  0.387091759815  -0.069560209752  -0.218692637927  -0.002013087038  0.000994713229  0.005003900186
  30  Al  6.103713958718  3.943433854611  6.097693521889  -0.083496359014  0.433379556584  -0.181629922922  0.000935163661  -0.003167622658  0.000571656228
  31  Al  6.171367419553  6.033775144944  4.030097404228  -0.246731616309  0.161995763176  -0.094577454735  0.002981133635  -0.001096140554  -0.001372752422


MDSTEP:  53
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -73.597150433675  -0.211538473335  0.532528532449
  -0.211538473335  -74.758948347927  -1.701667388975
  0.532528532449  -1.701667388975  -67.008443921848
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.996536007945  8.067404195799  8.038030581778  0.319728836906  0.028311734446  -0.094071319591  -0.002862310378  -0.001120605293  -0.002856169524
  1  Al  8.056805155211  1.953541418764  1.920132929134  0.223302352816  0.198746443735  0.053399576875  -0.000798423713  -0.002072502123  -0.003860484838
  2  Al  1.963298121918  7.995850361320  1.975838495523  0.040564769776  0.378302937045  0.222233392374  -0.002060397345  -0.003200562144  -0.001128605739
  3  Al  1.955506404582  1.989954375279  8.067322027969  -0.014134451713  -0.044743640352  -0.091121792517  -0.002592334868  -0.001467397177  -0.001974933780
  4  Al  0.027764577036  8.019073929251  4.199573977000  0.168756858477  0.166279146517  -0.554786803326  0.001707001762  -0.002715221061  0.003991141525
  5  Al  0.014116960442  2.019953509308  6.131851768322  -0.008360654764  -0.081147398786  -0.229427131708  0.000487239668  -0.000470033906  0.001496103023
  6  Al  1.990886175028  8.096518151098  6.054810440725  0.044759154427  0.140747924658  0.141761381295  -0.001412976953  0.000720979569  -0.000355994548
  7  Al  2.014824362168  2.042081412695  4.117605143924  -0.048134467431  -0.125682366829  -0.106365778941  -0.000553669325  0.000193129172  0.002526311882
  8  Al  8.054001946516  4.141127495403  7.965675923885  -0.000974089935  -0.253915537821  0.332400814263  -0.001754131499  0.002593671759  -0.004111534354
  9  Al  0.032458019878  6.060843804177  2.020917582847  -0.102191505043  -0.011337635843  0.074495445512  0.001030068286  -0.000573910840  0.000259203963
  10  Al  2.082934254017  3.955208097784  2.020064995648  -0.243143004440  0.388696456425  0.299025656950  0.001521917470  -0.001852164983  0.000799985681
  11  Al  2.042503603749  6.110673409222  0.126542784411  -0.119299164867  -0.064418454407  -0.142418584372  0.000120428055  0.001264473703  0.004872560330
  12  Al  8.055048912311  4.088118467336  3.970224802079  0.341086588639  -0.164175387590  0.229006261148  -0.000523888208  0.001168680145  -0.002094782200
  13  Al  0.007753964461  6.038029553974  5.984537393632  -0.083120935498  0.022875013575  0.277926853091  0.000078290565  -0.001298581535  -0.002660108401
  14  Al  1.999634852652  3.998928802007  6.108850078853  -0.060367203019  -0.043340390730  -0.249686084018  -0.001367841450  -0.002443359232  0.000495596034
  15  Al  2.111905559528  6.084529024532  3.941975235958  -0.369026034205  -0.168422783453  0.288332494898  0.001980915799  -0.000171549983  -0.003644001028
  16  Al  4.171028101400  0.128251764880  0.007007769794  -0.051516791987  -0.257287001240  0.196362704560  0.004421160726  0.004326020472  0.001109234401
  17  Al  3.921568149530  1.918379305666  2.006581537823  0.373857017321  0.206610896281  0.054660099700  -0.003502624361  -0.003378327452  -0.000663302555
  18  Al  6.156151350245  7.990211900272  1.902415807672  -0.286936182944  0.270023740830  0.292127268575  0.001888537357  -0.003736368327  -0.003812000980
  19  Al  6.103948707254  2.135695163721  7.946298646998  -0.177609150788  -0.484639465697  0.469722674432  0.000256383378  0.002708397212  -0.004896269063
  20  Al  4.080411963106  0.122145691844  4.060149570188  -0.196159045274  -0.389661392509  0.011465649936  0.000520800388  0.003282742147  0.000256248477
  21  Al  4.080721249307  1.992540953180  6.110939054752  0.001473481805  0.190218544588  0.087151544025  0.001273727306  -0.000626374506  0.001895482082
  22  Al  6.077402923533  0.025263019147  6.095557120698  -0.053241594825  0.151684119432  0.100007574031  0.000071680095  0.001869459943  0.001175564604
  23  Al  6.165299996258  2.044470279500  4.029519241718  -0.214038263070  -0.002068152328  0.182056526937  0.002601696089  0.000699477596  0.000229352684
  24  Al  4.081264006665  4.031317466094  0.124580818551  0.090984955550  -0.035069396679  -0.526902348230  0.001612799454  -0.001003102963  0.003141059032
  25  Al  4.009164363654  6.193563949857  2.134411950900  0.254892403284  -0.164311710818  -0.344485714833  -0.000903622757  0.003868574220  0.003141439788
  26  Al  6.010538778867  4.146507432827  1.945363314267  0.203491962310  -0.183582176516  0.294009517998  -0.002050336263  0.003451450146  -0.002203826986
  27  Al  6.025805903953  6.123793171109  0.103990105268  -0.002930753695  -0.210127961929  -0.542300647881  -0.001785709466  0.001164490837  0.002631678596
  28  Al  4.074281858350  4.103042174086  4.131770256854  -0.077927624831  -0.006232227932  -0.222181809255  0.000683194969  0.001991589439  0.002127412265
  29  Al  3.959349012224  6.107814157712  6.230022748825  0.389301106131  -0.069646361549  -0.219771653117  -0.001943677976  0.000982268244  0.004964701738
  30  Al  6.104177808286  3.941869415220  6.097971231199  -0.088868493744  0.452268606540  -0.191816570005  0.000919754346  -0.003088446237  0.000538270333
  31  Al  6.172846957541  6.033234315830  4.029406800433  -0.254220075371  0.165043878936  -0.090809198806  0.002936348851  -0.001066903403  -0.001389325879


MDSTEP:  54
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -73.242968979221  -0.209258097142  0.573588552503
  -0.209258097142  -74.458116427750  -1.712823865276
  0.573588552503  -1.712823865276  -66.582438599236
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.995119144540  8.066845158678  8.036598292056  0.324436453515  0.028618781648  -0.091203497216  -0.002804722383  -0.001115515739  -0.002872732983
  1  Al  8.056415924903  1.952514051610  1.918205073661  0.223794685847  0.202069186567  0.055878281255  -0.000758453503  -0.002036669443  -0.003850715462
  2  Al  1.962269736479  7.994266990278  1.975284126421  0.036320722445  0.396281637897  0.225208685301  -0.002053523828  -0.003131314741  -0.001088604683
  3  Al  1.954209605342  1.989218676663  8.066330487962  -0.016355367374  -0.045453814135  -0.083286116389  -0.002595060639  -0.001475460776  -0.001990525744
  4  Al  0.028625621298  8.017723751349  4.201544748957  0.167961478445  0.174702654824  -0.564977044114  0.001737104182  -0.002684737490  0.003891035300
  5  Al  0.014360206557  2.019714865090  6.132589564508  -0.009082623904  -0.081444261029  -0.235140605904  0.000485680249  -0.000484569504  0.001454570942
  6  Al  1.990181687272  8.096884932273  6.054638780143  0.050486874396  0.134165023643  0.145765098436  -0.001404462015  0.000745556624  -0.000330289851
  7  Al  2.014545375909  2.042172359317  4.118863545346  -0.049799720663  -0.126744723739  -0.114084787401  -0.000562424583  0.000170562340  0.002506603731
  8  Al  8.053124837225  4.142412981333  7.963635014926  -0.000409031133  -0.258200694865  0.338959891186  -0.001754255149  0.002547888871  -0.004051515104
  9  Al  0.032968486091  6.060556341968  2.021050514752  -0.106905620433  -0.011110374849  0.070970926258  0.001011375127  -0.000575917679  0.000272208570
  10  Al  2.083684344332  3.954299389909  2.020478354847  -0.250534254076  0.382804184333  0.301849361437  0.001477783016  -0.001783193283  0.000853703552
  11  Al  2.042558485140  6.111302766588  0.128972698507  -0.119161332413  -0.068336859984  -0.159458948139  0.000099109828  0.001252605456  0.004845572657
  12  Al  8.054802214676  4.088695468817  3.969187647491  0.344045850839  -0.173277880667  0.230136300404  -0.000462637773  0.001138512022  -0.002053735127
  13  Al  0.007789394263  6.037381285713  5.983219762679  -0.084960112595  0.022902136293  0.286604368911  0.000063264219  -0.001294489085  -0.002609639644
  14  Al  1.998948233531  3.997705185088  6.109086715976  -0.057925447331  -0.035838168169  -0.253468744032  -0.001378416743  -0.002450437748  0.000450614290
  15  Al  2.112879522073  6.084435721092  3.940166123822  -0.374367719257  -0.171456716968  0.305425383654  0.001914456837  -0.000201935009  -0.003590919425
  16  Al  4.173236378978  0.130403274463  0.007571164349  -0.053468286291  -0.267668618099  0.192299685889  0.004411775122  0.004279089750  0.001143980588
  17  Al  3.919833548647  1.916699377387  2.006252329836  0.376296950469  0.210889234298  0.058431859805  -0.003435561041  -0.003341003187  -0.000653192201
  18  Al  6.157082792961  7.988355786089  1.900522865185  -0.283126967476  0.286568180602  0.298954283649  0.001837574049  -0.003686609339  -0.003759158639
  19  Al  6.104068959867  2.137027699086  7.943871508932  -0.172717962932  -0.494024776499  0.489721721635  0.000225064341  0.002620905208  -0.004810495302
  20  Al  4.080663595049  0.123769645169  4.060278206937  -0.198911877779  -0.392426703633  0.017594759231  0.000485481282  0.003212823934  0.000258846460
  21  Al  4.081358178825  1.992236268640  6.111890691442  -0.001509111170  0.193207463444  0.082511829972  0.001273724121  -0.000592096448  0.001910649887
  22  Al  6.077436383697  0.026204529354  6.096149373309  -0.056051698571  0.144877330900  0.099846972167  0.000061909339  0.001895972361  0.001193431482
  23  Al  6.166591276855  2.044819925852  4.029642055933  -0.212854600632  -0.001448105980  0.176913983717  0.002563532120  0.000699163245  0.000261444435
  24  Al  4.082074473392  4.030814347021  0.126127795688  0.088503275331  -0.031938399312  -0.539279699057  0.001628845595  -0.001009093420  0.003045742988
  25  Al  4.008723945890  6.195490892282  2.135967272385  0.262675385173  -0.165272641612  -0.353216826357  -0.000857352503  0.003839109574  0.003079065594
  26  Al  6.009522706766  4.148224951831  1.944274542912  0.214432722848  -0.196775329263  0.301104566227  -0.002012974044  0.003417446410  -0.002150624139
  27  Al  6.024912918217  6.124366023870  0.105281703888  -0.002704751443  -0.213549666814  -0.562947220270  -0.001786213277  0.001126614308  0.002532870091
  28  Al  4.074619972492  4.104037690227  4.132824031526  -0.079505602877  -0.008628666945  -0.218853717468  0.000669120532  0.001990260884  0.002087983950
  29  Al  3.958394574881  6.108302178662  6.232495275965  0.390219140760  -0.070074443740  -0.219000446783  -0.001873989327  0.000969777286  0.004925475772
  30  Al  6.104633713064  3.940345408374  6.098231792222  -0.091043551090  0.468804767298  -0.200306534268  0.000903670315  -0.003006102823  0.000503214760
  31  Al  6.174303768404  6.032708241541  4.028708078349  -0.257777900627  0.167780264557  -0.082953771735  0.002890576535  -0.001037149122  -0.001404860185


MDSTEP:  55
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -72.885021358485  -0.205729273924  0.615955948509
  -0.205729273924  -74.156157209415  -1.719315993574
  0.615955948509  -1.719315993574  -66.161037993770
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.993731285562  8.066288680060  8.035157848795  0.328209701130  0.027379538936  -0.085973742777  -0.002746376203  -0.001110509522  -0.002888572523
  1  Al  8.056046701708  1.951504749321  1.916282213673  0.223723542295  0.205974992249  0.059288462211  -0.000718445638  -0.002000190535  -0.003840419623
  2  Al  1.961244598090  7.992719046579  1.974749890841  0.034943045465  0.412406258153  0.229587063256  -0.002047152889  -0.003059018522  -0.001047946212
  3  Al  1.952911343943  1.988478914503  8.065331502225  -0.016576640774  -0.045755443553  -0.072383405553  -0.002598004741  -0.001483614829  -0.002004442507
  4  Al  0.029501681217  8.016389191761  4.203465012300  0.166599552254  0.181093652572  -0.577383015666  0.001767013740  -0.002652929511  0.003788908987
  5  Al  0.014602640691  2.019468939804  6.133306339264  -0.010716692356  -0.081285876332  -0.241520007758  0.000483910202  -0.000499117482  0.001411957766
  6  Al  1.989481713013  8.097263707722  6.054480150875  0.058447139518  0.125421779727  0.148149963132  -0.001394723378  0.000768763530  -0.000304014018
  7  Al  2.014261937585  2.042251975035  4.120111747656  -0.048847619565  -0.127414100897  -0.124879488730  -0.000571243597  0.000147840691  0.002485240467
  8  Al  8.052247691366  4.143675384274  7.961624408781  -0.000282783366  -0.261060462151  0.347986476396  -0.001754316997  0.002501467231  -0.003990102506
  9  Al  0.033469395005  6.060267886498  2.021189791417  -0.111901184138  -0.011532279509  0.068588626706  0.000991813928  -0.000577941919  0.000284685112
  10  Al  2.084412037032  3.953424904502  2.020918699200  -0.255407258315  0.378591062799  0.305751686535  0.001432552144  -0.001715124998  0.000908022726
  11  Al  2.042602713577  6.111926014679  0.131388357068  -0.116729445478  -0.072864504232  -0.173821744353  0.000078021332  0.001239982138  0.004815777560
  12  Al  8.054586274537  4.089256979358  3.968171066952  0.346202490471  -0.180306097360  0.228671593864  -0.000400929980  0.001106901824  -0.002012717973
  13  Al  0.007817228680  6.036735064889  5.981927753987  -0.087100594605  0.022766447017  0.293598319964  0.000047882093  -0.001290406340  -0.002557769868
  14  Al  1.998256435909  3.996478364258  6.109300693143  -0.053479337277  -0.026034912985  -0.258432500502  -0.001388376265  -0.002455969165  0.000404850622
  15  Al  2.113820016366  6.084327089523  3.938384316533  -0.376828037180  -0.174806255537  0.319861646308  0.001847300382  -0.000232890714  -0.003535019135
  16  Al  4.175439876522  0.132530854630  0.008151750382  -0.055091026374  -0.279832918264  0.190982818104  0.004402069984  0.004230143437  0.001178245817
  17  Al  3.918132588489  1.915038302479  2.005928345622  0.379190250484  0.215225740795  0.063571047959  -0.003368020932  -0.003302908761  -0.000642285213
  18  Al  6.157988924294  7.986525290932  1.898656649033  -0.281948498109  0.301273192210  0.307089234303  0.001787056637  -0.003634056669  -0.003704978707
  19  Al  6.104173771595  2.138316068929  7.941488151697  -0.169470844949  -0.502920593078  0.512104183985  0.000194472865  0.002531778882  -0.004720932659
  20  Al  4.080897444387  0.125358515778  4.060408416648  -0.201324218426  -0.397220885248  0.020757982089  0.000449700412  0.003142229907  0.000262275173
  21  Al  4.081994973429  1.991948856732  6.112849704640  -0.003898738428  0.196180975477  0.076462141990  0.001273240663  -0.000557285352  0.001924862066
  22  Al  6.077464832872  0.027158991508  6.096750552181  -0.060990307666  0.136241293385  0.098387914082  0.000051445853  0.001921104200  0.001211153564
  23  Al  6.167863528377  2.045169442745  4.029780686153  -0.214068799302  -0.000312583271  0.169157714644  0.002525365420  0.000699005840  0.000292383040
  24  Al  4.082892852260  4.030308372674  0.127626561539  0.086184902439  -0.027052989601  -0.548332680202  0.001644462615  -0.001014367215  0.002948511086
  25  Al  4.008307011151  6.197403059430  2.137491016494  0.270962212757  -0.166449770896  -0.360346943989  -0.000809645618  0.003809453786  0.003015273415
  26  Al  6.008525804824  4.149924879237  1.943212690128  0.223028514827  -0.208192177579  0.309702821437  -0.001973865268  0.003381242554  -0.002096018320
  27  Al  6.024019690677  6.124919785417  0.106522975359  -0.004701049045  -0.217080739731  -0.580568483216  -0.001786875351  0.001088116204  0.002430640464
  28  Al  4.074950978881  4.105032434970  4.133858240805  -0.080721378119  -0.008863434207  -0.218680693306  0.000654796334  0.001988697100  0.002048868633
  29  Al  3.957475022897  6.108783934999  6.234948224596  0.391496107166  -0.070545896007  -0.219657450084  -0.001804104447  0.000957205911  0.004886260015
  30  Al  6.105081478601  3.938863312397  6.098474445959  -0.095061179947  0.486802383577  -0.210032194572  0.000887032663  -0.002920672109  0.000466530720
  31  Al  6.175737534076  6.032197166708  4.028001940248  -0.263841825385  0.170174603540  -0.077687346253  0.002843944040  -0.001006936157  -0.001419221406


MDSTEP:  56
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -72.527279337970  -0.202981753179  0.660854969613
  -0.202981753179  -73.851088250730  -1.723398569488
  0.660854969613  -1.723398569488  -65.743926845085
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.992372768337  8.065734649156  8.033709719532  0.334783950575  0.027602479774  -0.083304873118  -0.002687104963  -0.001105594162  -0.002903705931
  1  Al  8.055697479265  1.950513861074  1.914364654038  0.225821771859  0.208923379167  0.060588322918  -0.000678256553  -0.001963098867  -0.003829702710
  2  Al  1.960222583590  7.991207971756  1.974236180209  0.031176589673  0.430120071588  0.231345276753  -0.002041241833  -0.002983697167  -0.001006739134
  3  Al  1.951611600601  1.987735061834  8.064326045455  -0.018318936447  -0.046791751591  -0.064733608020  -0.002601124385  -0.001491888494  -0.002016700687
  4  Al  0.030392635038  8.015070821838  4.205333657944  0.167370145087  0.189410727889  -0.586543834172  0.001796870433  -0.002619806639  0.003684854616
  5  Al  0.014844116759  2.019215747608  6.134001522274  -0.009522981244  -0.081761645129  -0.245944327592  0.000482100787  -0.000513693834  0.001368378743
  6  Al  1.988786963893  8.097653695803  6.054334766125  0.064594465691  0.118624678287  0.153248411859  -0.001383723532  0.000790581139  -0.000277069182
  7  Al  2.013974132312  2.042320200008  4.121348785813  -0.050093442400  -0.128737035566  -0.132012156463  -0.000580088870  0.000124940932  0.002462274506
  8  Al  8.051370520227  4.144914448564  7.959644912420  0.002343092666  -0.265272417978  0.353950849027  -0.001754132807  0.002454413383  -0.003927349725
  9  Al  0.033960300019  6.059978400049  2.021335199864  -0.114564356116  -0.010854668766  0.063824031762  0.000971568043  -0.000579943299  0.000296522725
  10  Al  2.085116896475  3.952584264911  2.021386377573  -0.262216082653  0.372349423706  0.307030185009  0.001386276924  -0.001647991364  0.000962805063
  11  Al  2.042636506472  6.112542748726  0.133788476068  -0.116091240289  -0.076527662785  -0.191551572688  0.000057207301  0.001226626567  0.004783113402
  12  Al  8.054401284696  4.089802370641  3.967174929518  0.350767410552  -0.189273391813  0.230105010310  -0.000338621284  0.001073861637  -0.001971703616
  13  Al  0.007837276356  6.036090879372  5.980661992812  -0.086885491462  0.023245079582  0.303306364253  0.000032327840  -0.001286292937  -0.002504406942
  14  Al  1.997559857266  3.995249215923  6.109491566598  -0.050856202941  -0.018408328253  -0.260901255583  -0.001397703800  -0.002459942365  0.000358422491
  15  Al  2.114726822455  6.084202830378  3.936631104687  -0.381747466927  -0.177341119827  0.337067240689  0.001779484181  -0.000264372481  -0.003476290081
  16  Al  4.177638448961  0.134633417900  0.008749410166  -0.059414175281  -0.290244856421  0.186136389619  0.004391833286  0.004179178821  0.001211960051
  17  Al  3.916465527714  1.913396468626  2.005610044623  0.379356959035  0.219189461502  0.066215990383  -0.003300207261  -0.003264072299  -0.000630682329
  18  Al  6.158869849598  7.984721729421  1.896817886477  -0.277839786525  0.318035248233  0.312829346899  0.001737011896  -0.003578690861  -0.003649558353
  19  Al  6.104263432731  2.139559477968  7.939150576273  -0.164373722640  -0.512257505424  0.531815747015  0.000164627358  0.002441022561  -0.004627606835
  20  Al  4.081113295460  0.126911875076  4.060540482110  -0.205889572363  -0.399772591460  0.027462585085  0.000413295740  0.003070979162  0.000266586063
  21  Al  4.082631419487  1.991678983288  6.113815553508  -0.009228119716  0.198479417755  0.072639313842  0.001272067129  -0.000522002946  0.001938191648
  22  Al  6.077487829550  0.028125633554  6.097360526873  -0.064036857674  0.129099581217  0.098927310151  0.000040268498  0.001944825517  0.001228793428
  23  Al  6.169116642275  2.045518931692  4.029934438973  -0.212841606762  -0.000211286143  0.164134021188  0.002487199883  0.000698959007  0.000322179124
  24  Al  4.083718936007  4.029799979806  0.129076306773  0.081304976959  -0.023870994914  -0.560644994868  0.001659436111  -0.001018919789  0.002849369138
  25  Al  4.007914300272  6.199300346068  2.138982545800  0.276350126573  -0.166892803692  -0.369901687692  -0.000760716219  0.003779653158  0.002949989620
  26  Al  6.007548841498  4.151606194385  1.942178524592  0.233535793204  -0.221472254606  0.315493443303  -0.001933048689  0.003342830809  -0.002040126144
  27  Al  6.023126042866  6.125454140074  0.107712344352  -0.004689501430  -0.220135286539  -0.601572838073  -0.001787714860  0.001049029350  0.002324957730
  28  Al  4.075274768827  4.106026387327  4.134872900159  -0.084384661619  -0.011241686624  -0.214827416212  0.000640035952  0.001986899714  0.002010113265
  29  Al  3.956590470434  6.109259384574  6.237381535981  0.390081546164  -0.070454816147  -0.217801919685  -0.001734231867  0.000944600531  0.004847151407
  30  Al  6.105520745726  3.937424736265  6.098698322942  -0.097216480439  0.503194549395  -0.217233817855  0.000869843154  -0.002832166970  0.000428333392
  31  Al  6.177147712444  6.031701305384  4.027288856943  -0.267276143108  0.173248005582  -0.069145538044  0.002796462408  -0.000976234379  -0.001432348179


MDSTEP:  57
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -72.167670839016  -0.199071270775  0.707504117911
  -0.199071270775  -73.545603167641  -1.723650141289
  0.707504117911  -1.723650141289  -65.331076623998
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.991044180599  8.065183085898  8.032254142863  0.337529464542  0.026035809876  -0.077030832463  -0.002627000542  -0.001100798931  -0.002918039849
  1  Al  8.055368445155  1.949541650454  1.912452510963  0.224595695285  0.212611388167  0.065129117257  -0.000637989498  -0.001925413908  -0.003818463645
  2  Al  1.959203356257  7.989735349412  1.973743151707  0.030524232864  0.445856183850  0.236460114252  -0.002035725816  -0.002905385409  -0.000964917609
  3  Al  1.950310219557  1.986987026010  8.063314801539  -0.017213091528  -0.047030171967  -0.052995629046  -0.002604300928  -0.001500276118  -0.002027225611
  4  Al  0.031298551650  8.013769385123  4.207149866916  0.164817631985  0.195611010270  -0.599358483170  0.001826567823  -0.002585385923  0.003578835651
  5  Al  0.015084741478  2.018955245970  6.134674718007  -0.012267073383  -0.081450786586  -0.253283611290  0.000480152769  -0.000528284929  0.001323748061
  6  Al  1.988097989481  8.098054288861  6.054203081693  0.073666526891  0.109459607323  0.154762527823  -0.001371363081  0.000810971739  -0.000249533186
  7  Al  2.013681848715  2.042376915967  4.122574022161  -0.048122422929  -0.129186835535  -0.143420184057  -0.000588869310  0.000101882690  0.002437651017
  8  Al  8.050493558559  4.146129797657  7.957697059056  0.001654652018  -0.267715903648  0.363314205313  -0.001753775411  0.002406764543  -0.003863226654
  9  Al  0.034440963048  6.059687943199  2.021486314142  -0.120435954138  -0.011101443195  0.062102202276  0.000950559154  -0.000581906162  0.000307780456
  10  Al  2.085798313956  3.951776913138  2.021881504263  -0.265801316038  0.367797693404  0.311428750665  0.001339072481  -0.001581822650  0.001018094925
  11  Al  2.042659920878  6.113152641245  0.136171470470  -0.112538468503  -0.081103704476  -0.205337461052  0.000036767940  0.001212534416  0.004747631758
  12  Al  8.054247653254  4.090330840995  3.966199363336  0.351687356319  -0.196133929559  0.227864932701  -0.000275822244  0.001039406450  -0.001930761374
  13  Al  0.007849556520  6.035448771952  5.979423347045  -0.089746513555  0.023128611649  0.309238266543  0.000016537044  -0.001282147157  -0.002449645815
  14  Al  1.996858732109  3.994018421894  6.109659115635  -0.045291968318  -0.008366294780  -0.266580985569  -0.001406299390  -0.002462336000  0.000311265891
  15  Al  2.115599500547  6.084062717042  3.934908026452  -0.383073420465  -0.180641141099  0.350766795502  0.001711109646  -0.000296375883  -0.003414798125
  16  Al  4.179831709809  0.136710033451  0.009363710434  -0.060490434252  -0.302405107462  0.185065835452  0.004381113885  0.004126196265  0.001245145310
  17  Al  3.914832381228  1.911774230180  2.005297663293  0.382775379777  0.223640722123  0.072178471040  -0.003232073081  -0.003224483543  -0.000618309946
  18  Al  6.159725936190  7.982946600072  1.895007090680  -0.277017535577  0.332630440381  0.321737814593  0.001687407980  -0.003520521733  -0.003592828425
  19  Al  6.104338398953  2.140757091490  7.936860544861  -0.161903617900  -0.520722652763  0.554442675341  0.000135458357  0.002348674747  -0.004530495975
  20  Al  4.081310740127  0.128429494940  4.060675002711  -0.207258567291  -0.404289863323  0.030185832142  0.000376360541  0.002999096455  0.000271739797
  21  Al  4.083267040558  1.991426853786  6.114787896288  -0.010972719924  0.201315861283  0.065586324182  0.001270261186  -0.000486261485  0.001950548938
  22  Al  6.077505101371  0.029103817025  6.097979345609  -0.069902625165  0.120145989048  0.096295314215  0.000028294388  0.001967107923  0.001246246215
  23  Al  6.170350728260  2.045868401751  4.030102865277  -0.214695182172  0.000885031470  0.155563860279  0.002448978347  0.000699019239  0.000350759925
  24  Al  4.084552288371  4.029289452885  0.130475930677  0.079490575753  -0.018874530450  -0.568542317115  0.001673811138  -0.001022741214  0.002748420461
  25  Al  4.007546294932  6.201182712588  2.140441006114  0.285271012864  -0.167949412186  -0.376116366128  -0.000710507622  0.003749718462  0.002883296048
  26  Al  6.006592756134  4.153267710045  1.941172563984  0.241201883460  -0.232619373857  0.324754964106  -0.001890607422  0.003302235286  -0.001982888316
  27  Al  6.022231975816  6.125968814767  0.108847933089  -0.007403486867  -0.223618975825  -0.618232631952  -0.001788795966  0.001009357982  0.002215907843
  28  Al  4.075591014834  4.107019334684  4.135868354070  -0.084820685330  -0.011569751419  -0.215026550955  0.000624909094  0.001984860385  0.001971684575
  29  Al  3.955740791030  6.109728535530  6.239795376003  0.391812647292  -0.070886456627  -0.218982252685  -0.001664330989  0.000931964705  0.004808103160
  30  Al  6.105951321755  3.936031145428  6.098902779351  -0.102089686394  0.521028847822  -0.227687976476  0.000852025300  -0.002740602004  0.000388557647
  31  Al  6.178533996484  6.031220932329  4.026569592068  -0.273982289320  0.175519138090  -0.064282721723  0.002748074225  -0.000945054803  -0.001444276587


MDSTEP:  58
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -71.810320332482  -0.196357724253  0.756825141850
  -0.196357724253  -73.237395781031  -1.721585777728
  0.756825141850  -1.721585777728  -64.923506013193
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.989745767795  8.064633850226  8.030791679684  0.342325143124  0.025759336273  -0.073373785143  -0.002566221943  -0.001096168475  -0.002931485932
  1  Al  8.055059489767  1.948588447166  1.910546190393  0.225063619648  0.215717951972  0.067360171105  -0.000597790222  -0.001887121519  -0.003806619181
  2  Al  1.958186857774  7.988302586347  1.973271262600  0.027158914001  0.462994057778  0.238998593938  -0.002030568977  -0.002824134735  -0.000922411882
  3  Al  1.949007299673  1.986234785716  8.062298819844  -0.018238366698  -0.047729494630  -0.044388705971  -0.002607470267  -0.001508747576  -0.002035931713
  4  Al  0.032219202861  8.012485435915  4.208912493595  0.163786143950  0.203365043454  -0.608803125775  0.001855944806  -0.002549717700  0.003470826719
  5  Al  0.015324269528  2.018687462679  6.135325270335  -0.013065040981  -0.081533075165  -0.258549487141  0.000477888093  -0.000542855589  0.001277990485
  6  Al  1.987415600813  8.098464667543  6.054085232939  0.080407608566  0.101999358113  0.158897646213  -0.001357588944  0.000829876046  -0.000221492152
  7  Al  2.013385263002  2.042422082698  4.123786436830  -0.048689648683  -0.130236133240  -0.151284661562  -0.000597524252  0.000078690430  0.002411304579
  8  Al  8.049616744816  4.147321213107  7.955781685767  0.002953463994  -0.271402225501  0.369793983567  -0.001753363448  0.002358567701  -0.003797687215
  9  Al  0.034910859174  6.059396493887  2.021642980320  -0.124588931284  -0.010688068144  0.058007392160  0.000928654075  -0.000583854132  0.000318518182
  10  Al  2.086455968956  3.951002442261  2.022404472498  -0.271818013867  0.361639546393  0.313031365826  0.001291009631  -0.001516611392  0.001073921290
  11  Al  2.042673274412  6.113755283141  0.138536107825  -0.111373809839  -0.085233848778  -0.222423561049  0.000016750315  0.001197663937  0.004709390175
  12  Al  8.054125462453  4.090841777091  3.965244168144  0.354197346247  -0.204503301256  0.228555448168  -0.000212716569  0.001003589719  -0.001889957663
  13  Al  0.007853813399  6.034808732216  5.978212346997  -0.090888803991  0.023480721387  0.317782785203  0.000000388353  -0.001277980310  -0.002393590504
  14  Al  1.996153557876  3.992786879923  6.109802832489  -0.042074611402  -0.000078359765  -0.269680937959  -0.001414109910  -0.002463090947  0.000263324393
  15  Al  2.116437932101  6.083906454495  3.933216306562  -0.387316386396  -0.183325848462  0.367168502153  0.001642237254  -0.000328914316  -0.003350615135
  16  Al  4.182019562847  0.138759614165  0.009994555477  -0.063501603761  -0.313172960098  0.180579586547  0.004370029071  0.004071163951  0.001277833794
  17  Al  3.913233454633  1.910171985083  2.004991734677  0.384027710391  0.227781897041  0.075719552897  -0.003163521339  -0.003184126628  -0.000605087950
  18  Al  6.160557257578  7.981201207687  1.893225058053  -0.273099700005  0.348681535558  0.328175072258  0.001638227824  -0.003459612846  -0.003534726598
  19  Al  6.104398891088  2.141908152715  7.934620080297  -0.156981446642  -0.529375195854  0.574152954466  0.000106950221  0.002254796621  -0.004429600194
  20  Al  4.081489656001  0.129910971530  4.060812221908  -0.210148715112  -0.406775771293  0.036203195267  0.000339044577  0.002926587667  0.000277674937
  21  Al  4.083901680673  1.991192721803  6.115766102446  -0.014812905410  0.203758512740  0.060734700903  0.001267955966  -0.000450048076  0.001961841963
  22  Al  6.077516123938  0.030092741477  6.098606773088  -0.073307163582  0.112566179672  0.095776448989  0.000015491518  0.001987912253  0.001263417317
  23  Al  6.171565620623  2.046217950931  4.030285198898  -0.213803942022  0.001428657839  0.150033928772  0.002410670779  0.000699226082  0.000378080187
  24  Al  4.085392747146  4.028777238592  0.131824727234  0.075719330292  -0.015315096177  -0.579661648500  0.001687686812  -0.001025797746  0.002645771706
  25  Al  4.007203792651  6.203050064530  2.141865841848  0.292087835237  -0.168431233173  -0.384653987698  -0.000658892082  0.003719646231  0.002815283629
  26  Al  6.005658234076  4.154908429671  1.940195636276  0.251254083029  -0.245211431693  0.331385825100  -0.001846582150  0.003259517495  -0.001924229718
  27  Al  6.021337246900  6.126463498056  0.109928252195  -0.007680530919  -0.226638384125  -0.637975023032  -0.001790144469  0.000969105241  0.002103603623
  28  Al  4.075899677921  4.108011247712  4.136844584734  -0.086870876401  -0.013801600717  -0.211727775764  0.000609559970  0.001982592201  0.001933532990
  29  Al  3.954926139445  6.110191349279  6.242189639141  0.391407596370  -0.070954451636  -0.217659370025  -0.001594311563  0.000919284212  0.004769067658
  30  Al  6.106372771026  3.934684134261  6.099086880589  -0.104543246022  0.537062004125  -0.235725001500  0.000833552438  -0.002646009309  0.000347128801
  31  Al  6.179895786669  6.030756250581  4.025844580357  -0.277585051833  0.178171677362  -0.056450082412  0.002698764431  -0.000913435053  -0.001455070028


MDSTEP:  59
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -71.452332446595  -0.192321748485  0.806992480345
  -0.192321748485  -72.929998373316  -1.715090688084
  0.806992480345  -1.715090688084  -64.521589466226
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.988477958657  8.064086917423  8.029322656931  0.347372119931  0.024143366646  -0.067137792418  -0.002504563416  -0.001091707203  -0.002944047584
  1  Al  8.054770654933  1.947654528936  1.908645891782  0.225765383967  0.218829301951  0.071375081325  -0.000557486376  -0.001848273251  -0.003794216332
  2  Al  1.957172787281  7.986911214677  1.972820739826  0.025667981563  0.478290931387  0.243492892223  -0.002025846283  -0.002739984414  -0.000879277428
  3  Al  1.947702749290  1.985478278433  8.061278869826  -0.017926491745  -0.048534828304  -0.032804508422  -0.002610703384  -0.001517353550  -0.002042832740
  4  Al  0.033154496456  8.011219667422  4.210620693635  0.163052143682  0.209344441548  -0.620745917281  0.001885163956  -0.002512821717  0.003360905762
  5  Al  0.015562629571  2.018412390380  6.135952708491  -0.013843604274  -0.081484524134  -0.265273780704  0.000475482476  -0.000557429266  0.001231160995
  6  Al  1.986740400537  8.098884164907  6.053981589541  0.088524154559  0.092619639799  0.160897055416  -0.001342486545  0.000847274869  -0.000192902695
  7  Al  2.013084324463  2.042455606397  4.124985326740  -0.047643915901  -0.130991041071  -0.162209571144  -0.000606136415  0.000055336876  0.002383278380
  8  Al  8.048740195111  4.148488365359  7.953899371841  0.004666500672  -0.273703277675  0.378670885946  -0.001752682228  0.002309835592  -0.003730774899
  9  Al  0.035369617123  6.059104089068  2.021804832324  -0.128081513393  -0.010415099820  0.055727837999  0.000906065486  -0.000585740742  0.000328686044
  10  Al  2.087089323587  3.950260301746  2.022955425553  -0.276317098088  0.356897525815  0.316604068811  0.001242006677  -0.001452374603  0.001130210325
  11  Al  2.042676671193  6.114350305182  0.140880860646  -0.108888661007  -0.089269490758  -0.236480491150  -0.000002941020  0.001182063442  0.004668364425
  12  Al  8.054034936684  4.091334430714  3.964309405674  0.357075531596  -0.211100675683  0.226688453934  -0.000149129195  0.000966434970  -0.001849259127
  13  Al  0.007849944873  6.034170791642  5.977029756541  -0.091410851276  0.023924720038  0.323875481632  -0.000015909128  -0.001273742292  -0.002336226635
  14  Al  1.995444622199  3.991555330946  6.109922440027  -0.037689990059  0.010085668914  -0.274890077681  -0.001421240818  -0.002462196300  0.000214640066
  15  Al  2.117241737800  6.083733802725  3.931557411318  -0.389615630946  -0.186038222425  0.380829338268  0.001572779991  -0.000361935246  -0.003283744571
  16  Al  4.184201738879  0.140781197402  0.010641544228  -0.067193979423  -0.325333733740  0.178918472654  0.004358344963  0.004014081830  0.001309972708
  17  Al  3.911668859889  1.908590103553  2.004692575343  0.384767173075  0.231716409924  0.081372494106  -0.003094791532  -0.003143047751  -0.000591044014
  18  Al  6.161364164014  7.979486987226  1.891472364082  -0.270718421494  0.363225765625  0.336698087209  0.001589610806  -0.003395968755  -0.003475287331
  19  Al  6.104445349174  2.143011888111  7.932430944667  -0.152893226360  -0.537858799875  0.596189585426  0.000079247609  0.002159386533  -0.004324972264
  20  Al  4.081649784704  0.131356082607  4.060952677648  -0.213515364213  -0.411221379597  0.039168013971  0.000301169259  0.002853459206  0.000284413079
  21  Al  4.084534996524  1.990976805710  6.116749738251  -0.019119136661  0.205784379944  0.053909113172  0.001264922462  -0.000413435184  0.001972091052
  22  Al  6.077520592888  0.031091729279  6.099242762926  -0.077978173548  0.103417653424  0.093111990693  0.000001966698  0.002007221080  0.001280303832
  23  Al  6.172761399039  2.046567627833  4.030480945464  -0.214231910522  0.001976080125  0.141652683009  0.002372404627  0.000699530463  0.000404156797
  24  Al  4.086239975183  4.028263655139  0.133121702383  0.071245891354  -0.010279116723  -0.587319506249  0.001700825416  -0.001028085854  0.002541444282
  25  Al  4.006887402849  6.204902358819  2.143256289743  0.298268897145  -0.168715554062  -0.390909631877  -0.000606114540  0.003689505508  0.002745948700
  26  Al  6.004746173984  4.156527227540  1.939248334266  0.259820348377  -0.256239651814  0.340073880977  -0.001800892399  0.003214688065  -0.001864201617
  27  Al  6.020441831348  6.126937920008  0.110951536712  -0.009159967680  -0.229527763009  -0.654526413955  -0.001791649999  0.000928324257  0.001988054759
  28  Al  4.076200574804  4.109001926886  4.137801887060  -0.089578549234  -0.014096273033  -0.211522479102  0.000593785496  0.001980098148  0.001895694668
  29  Al  3.954146479467  6.110647819742  6.244564443661  0.390372241577  -0.070749707719  -0.218621086007  -0.001524420909  0.000906615944  0.004730064443
  30  Al  6.106784874193  3.933385136119  6.099249908152  -0.107931078880  0.554406852247  -0.245655966533  0.000814557360  -0.002548432639  0.000304093628
  31  Al  6.181232760915  6.030307497276  4.025114522041  -0.282860802793  0.180896402055  -0.051158194245  0.002648660904  -0.000881334580  -0.001464690144


MDSTEP:  60
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -71.099346514886  -0.189166869009  0.859919163839
  -0.189166869009  -72.619997104804  -1.707040816226
  0.859919163839  -1.707040816226  -64.124343777742
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.987241204380  8.063542143023  8.027847632099  0.350812508215  0.024110863081  -0.063301507212  -0.002442146123  -0.001087393304  -0.002955708780
  1  Al  8.054502003391  1.946740173915  1.906751974061  0.224741983546  0.221979386409  0.073741277943  -0.000517211284  -0.001808865216  -0.003781243015
  2  Al  1.956161011490  7.985562601933  1.972391985171  0.022455691540  0.494914560907  0.246074028299  -0.002021544056  -0.002652980420  -0.000835510436
  3  Al  1.946396596289  1.984717432166  8.060255987104  -0.018705248747  -0.049010769484  -0.024241057606  -0.002613978240  -0.001526074068  -0.002047932580
  4  Al  0.034104366817  8.009972614199  4.212273399357  0.160570162034  0.217019862922  -0.629652137883  0.001914095598  -0.002474705000  0.003249120916
  5  Al  0.015799752004  2.018130033413  6.136556431329  -0.015988015820  -0.081299745643  -0.270548746714  0.000472815547  -0.000571982084  0.001183258778
  6  Al  1.986073114268  8.099311942411  6.053892330244  0.094961821949  0.085530316814  0.164776799283  -0.001326083007  0.000863201369  -0.000163787646
  7  Al  2.012779126587  2.042477419574  4.126169715210  -0.048168738136  -0.131883410530  -0.169728965370  -0.000614702010  0.000031836055  0.002353603271
  8  Al  8.047864062589  4.149631048699  7.952050910868  0.004997692870  -0.277688325544  0.384697182774  -0.001751818254  0.002260541509  -0.003662530246
  9  Al  0.035816924660  6.058810753145  2.021971666364  -0.133424459746  -0.009962333714  0.051975460948  0.000882687007  -0.000587562473  0.000338314656
  10  Al  2.087697975633  3.949550067658  2.023534682823  -0.281676288774  0.350480891720  0.317870698640  0.001192122398  -0.001389135392  0.001186931993
  11  Al  2.042670333392  6.114937346583  0.143204472250  -0.107489714854  -0.093508595522  -0.253137431575  -0.000022285118  0.001165723189  0.004624592872
  12  Al  8.053976333258  4.091808212061  3.963394909017  0.357795952343  -0.219418722704  0.227301068491  -0.000085220108  0.000927946790  -0.001808672733
  13  Al  0.007837904271  6.033534989924  5.975876120362  -0.093540631365  0.024259326454  0.331839509871  -0.000032443681  -0.001269434666  -0.002277606103
  14  Al  1.994732317058  3.990324683623  6.110017472556  -0.034666390496  0.017912570693  -0.277827093713  -0.001427709436  -0.002459693274  0.000165227479
  15  Al  2.118010712092  6.083544519249  3.929932561991  -0.393596237953  -0.188643469024  0.396446435949  0.001502761314  -0.000395431567  -0.003214256577
  16  Al  4.186377907810  0.142773695996  0.011304528185  -0.069165801089  -0.335587208261  0.174369771786  0.004346154479  0.003954995889  0.001341556468
  17  Al  3.910138663102  1.907028937332  2.004400690662  0.386839960148  0.236027604064  0.084689902086  -0.003025810311  -0.003101231713  -0.000576198134
  18  Al  6.162146868384  7.977805238932  1.889749770722  -0.266493891180  0.379100818006  0.342998518156  0.001541584344  -0.003329605198  -0.003414522857
  19  Al  6.104478138697  2.144067539248  7.930295108033  -0.147852019358  -0.545993294987  0.615243366971  0.000052361162  0.002062490798  -0.004216670876
  20  Al  4.081790825260  0.132764430737  4.061096634986  -0.215141452408  -0.413131160196  0.045160710127  0.000262847593  0.002779762577  0.000291952017
  21  Al  4.085166603135  1.990779286619  6.117738193499  -0.021801353475  0.208126995974  0.048881960964  0.001261264194  -0.000376431752  0.001981280513
  22  Al  6.077518090636  0.032099962557  6.099887076920  -0.081123179437  0.096371294181  0.092240921886  -0.000012256869  0.002025082094  0.001296874272
  23  Al  6.173938025250  2.046917481395  4.030689355695  -0.213150230046  0.002677603632  0.136308403193  0.002334196917  0.000699946500  0.000429006354
  24  Al  4.087093572561  4.027749152739  0.134366171516  0.068303417468  -0.007179773787  -0.597593325595  0.001713301041  -0.001029646668  0.002435513776
  25  Al  4.006597678111  6.206739570038  2.144611790548  0.305803598849  -0.169195998438  -0.399083084757  -0.000552110817  0.003659296415  0.002675323819
  26  Al  6.003857341677  4.158123117736  1.938331434659  0.269685535619  -0.268668516709  0.346772323798  -0.001753554886  0.003167761585  -0.001802797973
  27  Al  6.019545596900  6.127391822313  0.111916306954  -0.009301252243  -0.232336305896  -0.673288426992  -0.001793300421  0.000887033883  0.001869348899
  28  Al  4.076493463417  4.109991345861  4.138740279402  -0.090304999453  -0.016596289646  -0.208312653196  0.000577704014  0.001977354251  0.001858161656
  29  Al  3.953401718536  6.111097965223  6.246919703584  0.390665576355  -0.070863066758  -0.217313561324  -0.001454596590  0.000893955846  0.004691092144
  30  Al  6.107187328386  3.932135701622  6.099390974217  -0.110066475205  0.569297541675  -0.253691978093  0.000795068507  -0.002447974132  0.000259452217
  31  Al  6.182544447573  6.029874916002  4.024379890213  -0.285977521154  0.183157350309  -0.043668371136  0.002597807094  -0.000848788390  -0.001473167583


MDSTEP:  61
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -70.745821026171  -0.185499282808  0.914036256354
  -0.185499282808  -72.310613884050  -1.693969193428
  0.914036256354  -1.693969193428  -63.734377428647
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.986035812533  8.062999524119  8.026366948150  0.354900143777  0.022827428884  -0.057901602038  -0.002379055830  -0.001083197048  -0.002966544267
  1  Al  8.054253443650  1.945845663720  1.904864648767  0.224633182195  0.225575179131  0.077038607468  -0.000477037410  -0.001768854103  -0.003767763382
  2  Al  1.955151243225  7.984258234257  1.971985229390  0.020559414225  0.510111266168  0.250001243931  -0.002017698531  -0.002563131706  -0.000791161600
  3  Al  1.945088771050  1.983952204365  8.059230937246  -0.018711479053  -0.049112182512  -0.013685998680  -0.002617323273  -0.001534846202  -0.002051323236
  4  Al  0.035068592055  8.008744962422  4.213869814552  0.158836095118  0.223085587776  -0.639872419511  0.001942650329  -0.002435359834  0.003135626173
  5  Al  0.016035445118  2.017840408297  6.137135967269  -0.017646709090  -0.080574479425  -0.276576644482  0.000469808623  -0.000586453543  0.001134346092
  6  Al  1.985414317530  8.099747366276  6.053817801895  0.102650666466  0.076670711950  0.167170550666  -0.001308416568  0.000877702045  -0.000134111749
  7  Al  2.012469622453  2.042487442452  4.127338930012  -0.047438378553  -0.132277664730  -0.179235810834  -0.000623249229  0.000008220212  0.002322406027
  8  Al  8.046988376857  4.150748906868  7.950236841595  0.006317786598  -0.280348412780  0.392302493570  -0.001750806657  0.002210653355  -0.003593066935
  9  Al  0.036252304130  6.058516526595  2.022143146979  -0.137614244231  -0.010159291340  0.049098754619  0.000858456308  -0.000589361334  0.000347350631
  10  Al  2.088281445985  3.948871166354  2.024142357546  -0.286281766489  0.345235192136  0.320267751136  0.001141347284  -0.001326938786  0.001243981193
  11  Al  2.042654386075  6.115516028371  0.145505453518  -0.105468153430  -0.098215377279  -0.268089291809  -0.000041323426  0.001148583179  0.004577995512
  12  Al  8.053949716577  4.092262377504  3.962500732941  0.359507932075  -0.226145880029  0.226361993188  -0.000021093565  0.000888113579  -0.001768115524
  13  Al  0.007817501192  6.032901356976  5.974752150438  -0.094710663061  0.024313170797  0.338364450433  -0.000049273235  -0.001265092314  -0.002217690266
  14  Al  1.994016912763  3.989095637673  6.110087667506  -0.030993266393  0.027516893066  -0.282102747641  -0.001433579370  -0.002455631907  0.000115170082
  15  Al  2.118744499114  6.083338371158  3.928343154741  -0.396168695451  -0.191565218586  0.410528235513  0.001432156796  -0.000429421999  -0.003142113519
  16  Al  4.188547893358  0.144736193292  0.011983100696  -0.072220634619  -0.347109704715  0.171277587012  0.004333514616  0.003893963190  0.001372457137
  17  Al  3.908643049578  1.905488871840  2.004116377209  0.387824622143  0.240386647237  0.089676682517  -0.002956555756  -0.003058640561  -0.000560609865
  18  Al  6.162905748358  7.976157382028  1.888057841226  -0.263291058764  0.393551872952  0.350611265827  0.001494221883  -0.003260530505  -0.003352514553
  19  Al  6.104497710336  2.145074378908  7.928214273792  -0.142982629897  -0.553549958699  0.635536213680  0.000026360716  0.001964192282  -0.004104851922
  20  Al  4.081912632298  0.134135845185  4.061244629665  -0.217634743041  -0.416689455650  0.049301703470  0.000224157658  0.002705577106  0.000300396900
  21  Al  4.085796260719  1.990600373959  6.118731018765  -0.025540364265  0.210267649394  0.042444130021  0.001257031873  -0.000339027518  0.001989445012
  22  Al  6.077508336020  0.033116811372  6.100539637198  -0.085259947245  0.087653402986  0.089915450211  -0.000027131422  0.002041533793  0.001313158944
  23  Al  6.175095595956  2.047267574332  4.030909951818  -0.213013366398  0.003638274921  0.129189776659  0.002296098144  0.000700511136  0.000452741734
  24  Al  4.087953276225  4.027234008471  0.135557216160  0.064169436206  -0.002702557724  -0.605658409516  0.001725144036  -0.001030530143  0.002327943784
  25  Al  4.006335292033  6.208561655235  2.145931613562  0.312264234033  -0.169746371119  -0.405446387264  -0.000496855918  0.003628995168  0.002603399361
  26  Al  6.002992619098  4.159694989125  1.937445536292  0.278636197356  -0.279695024913  0.354624717909  -0.001704535248  0.003118738209  -0.001740093493
  27  Al  6.018648530927  6.127824953891  0.112820885610  -0.010048260494  -0.235327769480  -0.690215803526  -0.001795030256  0.000845224991  0.001747452428
  28  Al  4.076778278817  4.110979281137  4.139660048716  -0.092274124914  -0.017488793592  -0.207053459035  0.000561381548  0.001974307065  0.001821028172
  29  Al  3.952691882876  6.111541775587  6.249255535805  0.389905735288  -0.070828429772  -0.217645083776  -0.001384813977  0.000881288710  0.004652207099
  30  Al  6.107579942701  3.930937161988  6.099509360369  -0.112607761150  0.585371307836  -0.262730775860  0.000775161562  -0.002344747420  0.000213284328
  31  Al  6.183830568009  6.029458708886  4.023641354458  -0.290299198940  0.185331987111  -0.037497173859  0.002546288297  -0.000815845661  -0.001480423734


MDSTEP:  62
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -70.395186962535  -0.182235536601  0.971329967018
  -0.182235536601  -72.000616210854  -1.678484015888
  0.971329967018  -1.678484015888  -63.351794441250
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.984862148550  8.062458945975  8.024881087833  0.358717779365  0.023071910576  -0.054292666339  -0.002315258810  -0.001079093674  -0.002976574368
  1  Al  8.054024965981  1.944971319812  1.902984210679  0.223710809588  0.228370981644  0.078131830408  -0.000436955723  -0.001728271585  -0.003753891237
  2  Al  1.954143312960  7.982999470227  1.971600823571  0.017757526346  0.526718210181  0.251033738727  -0.002014273019  -0.002470439764  -0.000746369369
  3  Al  1.943779273016  1.983182585964  8.058204663867  -0.018675434746  -0.049627459523  -0.005595022316  -0.002620665641  -0.001543673468  -0.002053046948
  4  Al  0.036047017145  8.007537254365  4.215409025530  0.156485549955  0.231254919294  -0.647654185241  0.001970839897  -0.002394742061  0.003020522057
  5  Al  0.016269560627  2.017543579870  6.137690777421  -0.019472256183  -0.080322027252  -0.280369336718  0.000466490209  -0.000600837596  0.001084555451
  6  Al  1.984764697700  0.000193396713  6.053758218495  0.109596244083  0.069928520415  0.172553603171  -0.001289441819  0.000890807930  -0.000103740611
  7  Al  2.012155877357  2.042485639786  4.128492121237  -0.047613197341  -0.133231793106  -0.185895902068  -0.000631746784  -0.000015516177  0.002289763468
  8  Al  8.046113255932  4.151841702054  7.948457843933  0.007300371420  -0.284518954454  0.397507504592  -0.001749589202  0.002160154547  -0.003522458389
  9  Al  0.036675380968  6.058221391811  2.022319016995  -0.142180857352  -0.009392891137  0.043728979425  0.000833442791  -0.000591109288  0.000355649375
  10  Al  2.088839322917  3.948223128872  2.024778664016  -0.290961845769  0.338093111854  0.319600230923  0.001089742047  -0.001265849640  0.001301185012
  11  Al  2.042629009967  6.116085929763  0.147782467762  -0.103596127830  -0.102328098455  -0.285571921940  -0.000060013649  0.001130654711  0.004528498527
  12  Al  8.053955239693  4.092696325639  3.961626793493  0.360536705389  -0.234794641304  0.227602440694  0.000043277999  0.000846905769  -0.001727531372
  13  Al  0.007788631036  6.032269897610  5.973658430096  -0.096362695010  0.024732841351  0.347846837714  -0.000066355081  -0.001260707629  -0.002156343383
  14  Al  1.993298737688  3.987869051716  6.110132642638  -0.027690256723  0.034972248918  -0.283321996307  -0.001438825643  -0.002450045414  0.000064621445
  15  Al  2.119442868889  6.083115097250  3.926790448472  -0.399505069292  -0.193860762351  0.426093767025  0.001361024033  -0.000463878853  -0.003067320007
  16  Al  4.190711422425  0.146667659185  0.012676985322  -0.075302593853  -0.356691901756  0.165776481644  0.004320326126  0.003831043743  0.001402589571
  17  Al  3.907182107346  1.903970296771  2.003840080797  0.389165762127  0.244669762481  0.091483211638  -0.002887093275  -0.003015276805  -0.000544414278
  18  Al  6.163641090267  7.974544708428  1.886397256169  -0.258840178753  0.409976560728  0.355438653440  0.001447543659  -0.003188695539  -0.003289394108
  19  Al  6.104504499413  2.146031731530  7.926190256111  -0.137907680240  -0.561260192980  0.653902500780  0.000001249289  0.001864528914  -0.003989576864
  20  Al  4.082014982918  0.135470007842  4.061397031887  -0.219503191904  -0.417964377927  0.055994671582  0.000185077785  0.002630959547  0.000309810334
  21  Al  4.086423635008  1.990440259101  6.119727638511  -0.029132616842  0.212197213964  0.038693541975  0.001252144141  -0.000301259410  0.001996698672
  22  Al  6.077490959214  0.034141496350  6.101200235864  -0.088633143051  0.080724841978  0.089904182019  -0.000042677361  0.002056586708  0.001329234713
  23  Al  6.176234123394  2.047617992530  4.031142097429  -0.211986368384  0.003902520741  0.124194916014  0.002258103419  0.000701185278  0.000475394175
  24  Al  4.088818716597  4.026718622596  0.136694115300  0.060213348491  -0.000205338687  -0.616136526458  0.001736263783  -0.001030790107  0.002218716040
  25  Al  4.006100822192  6.210368565206  2.147215189909  0.318552464818  -0.169729035580  -0.414682644207  -0.000440461279  0.003598646268  0.002530080311
  26  Al  6.002152806429  4.161241855945  1.936591341166  0.288001295829  -0.292692283754  0.359360551316  -0.001653878192  0.003067567123  -0.001676263633
  27  Al  6.017750566644  6.128237047305  0.113663759382  -0.010196713380  -0.237965797422  -0.709474199371  -0.001796840145  0.000802912827  0.001622320970
  28  Al  4.077054844965  4.111965652925  4.140561307573  -0.093590623964  -0.020534754251  -0.202893873971  0.000544765349  0.001970907782  0.001784379123
  29  Al  3.952016904559  6.111979253933  6.251571910683  0.389465567263  -0.070709877601  -0.215129277935  -0.001315138644  0.000868635269  0.004613517327
  30  Al  6.107962489948  3.929790954202  6.099604258545  -0.114774189161  0.599483258798  -0.268950061657  0.000754833751  -0.002238822123  0.000165752376
  31  Al  6.185090735869  6.029059070340  4.022899466478  -0.293578384895  0.187733284619  -0.028880028559  0.002494089986  -0.000782493847  -0.001486357817


MDSTEP:  63
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -70.049995685996  -0.177950622582  1.029230403518
  -0.177950622582  -71.692066374261  -1.658917094312
  1.029230403518  -1.658917094312  -62.973092964052
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.983720553723  8.061920430445  8.023390373783  0.362465177464  0.020943497572  -0.047057570225  -0.002250785481  -0.001075158723  -0.002985635019
  1  Al  8.053816487927  1.944117392135  1.901110757530  0.223230773562  0.231886643480  0.084008846585  -0.000396999410  -0.001687124825  -0.003739395957
  2  Al  1.953136970206  7.981787794493  1.971238860021  0.016546461267  0.540354707637  0.256978592072  -0.002011206263  -0.002375044077  -0.000700953368
  3  Al  1.942468105409  1.982408530897  8.057177890297  -0.017811999853  -0.049782055895  0.006619051138  -0.002623927596  -0.001552560620  -0.002052955401
  4  Al  0.037039431952  8.006350220361  4.216890336608  0.154149005787  0.236033085421  -0.659101773658  0.001998610442  -0.002352966790  0.002903698848
  5  Al  0.016501935327  2.017239570701  6.138220522720  -0.021749589623  -0.079428412981  -0.288721238781  0.000462805000  -0.000615119191  0.001033679090
  6  Al  1.984124875710  0.000641926462  6.053714061284  0.117819270246  0.060007074379  0.172418066219  -0.001269111007  0.000902424095  -0.000072900348
  7  Al  2.011837875669  2.042471926276  4.129628693480  -0.046099298302  -0.133152776485  -0.196964866381  -0.000640124626  -0.000039330800  0.002255535942
  8  Al  8.045238787655  4.152909061415  7.946714383206  0.008420528679  -0.286260942367  0.406339609280  -0.001748183763  0.002109127162  -0.003450594933
  9  Al  0.037085746921  6.057925417308  2.022498796355  -0.146583266118  -0.009607563529  0.043230780210  0.000807627450  -0.000592807917  0.000363423526
  10  Al  2.089371188033  3.947605316714  2.025443542558  -0.294440758304  0.333577111320  0.324062117403  0.001037407401  -0.001205802720  0.001358728045
  11  Al  2.042594372426  6.116646683083  0.150033952045  -0.100719059153  -0.106936538932  -0.298193045518  -0.000078279305  0.001111946577  0.004476310285
  12  Al  8.053992994576  4.093109283273  3.960773201569  0.361506298803  -0.240397045614  0.225018299731  0.000107828216  0.000804423913  -0.001687067346
  13  Al  0.007751146112  6.031640649346  5.972595807055  -0.097443312169  0.025007690744  0.351077147456  -0.000083681223  -0.001256260855  -0.002093859992
  14  Al  1.992578087120  3.986645592258  6.110152288951  -0.023241770998  0.045453904306  -0.290060256241  -0.001443378936  -0.002442855364  0.000013361411
  15  Al  2.120105523147  6.082874492305  3.925275834733  -0.401222280253  -0.196862093800  0.438386916296  0.001289439482  -0.000498809245  -0.002990035946
  16  Al  4.192868219485  0.148567237034  0.013385690267  -0.078481361605  -0.369046341032  0.164211597984  0.004306577932  0.003766163174  0.001432090310
  17  Al  3.905755956303  1.902473595034  2.003571962931  0.389968741845  0.249115914121  0.098908696967  -0.002817439112  -0.002971132658  -0.000527393354
  18  Al  6.164353292017  7.972968686489  1.884768447118  -0.255945165722  0.422938117969  0.365310626583  0.001401522154  -0.003114233459  -0.003224959549
  19  Al  6.104498959625  2.146938907823  7.924224696928  -0.133455754591  -0.568064544339  0.674439665430  -0.000023010442  0.001763567952  -0.003870823861
  20  Al  4.082097710083  0.136766804732  4.061554439999  -0.221553930345  -0.422117449327  0.058382712774  0.000145647540  0.002555856729  0.000320035604
  21  Al  4.087048404859  1.990299114549  6.120727717436  -0.032653806187  0.214337482058  0.029835681287  0.001246620471  -0.000263127460  0.002002825144
  22  Al  6.077465658659  0.035173398081  6.101868871911  -0.093174328331  0.071330009094  0.084919892111  -0.000058930841  0.002070180322  0.001344863882
  23  Al  6.177353699375  2.047968759611  4.031385345993  -0.212182094334  0.005157162402  0.115620485842  0.002220183010  0.000701995208  0.000496833530
  24  Al  4.089689540008  4.026203218364  0.137775932200  0.056104027088  0.005275807976  -0.621654816778  0.001746662488  -0.001030336810  0.002108058227
  25  Al  4.005894830754  6.212160301502  2.148461693872  0.324973585647  -0.170377463599  -0.418539723983  -0.000382930431  0.003568240948  0.002455590724
  26  Al  6.001338740906  4.162762556248  1.935769272660  0.295989762055  -0.302209084307  0.369676096843  -0.001601669737  0.003014383293  -0.001611088188
  27  Al  6.016851690781  6.128627866718  0.114443206581  -0.011630340580  -0.240854623926  -0.723467486714  -0.001798791471  0.000760106565  0.001494216832
  28  Al  4.077323044167  4.112950188919  4.141444427839  -0.095373049120  -0.020628094625  -0.203436443272  0.000527872109  0.001967227848  0.001748053433
  29  Al  3.951376744232  6.112410410856  6.253869053132  0.388464345505  -0.070746591782  -0.217509262094  -0.001245592171  0.000855989144  0.004574839698
  30  Al  6.108334776451  3.928698339864  6.099675112745  -0.117831804764  0.615411729427  -0.280093011405  0.000734038913  -0.002130211231  0.000116668251
  31  Al  6.186324657996  6.028676215039  4.022154996641  -0.298045007597  0.189641684633  -0.024645387163  0.002441199205  -0.000748756748  -0.001491142958


MDSTEP:  64
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -69.707771541204  -0.174981598738  1.090305338045
  -0.174981598738  -71.383603378793  -1.635989153925
  1.090305338045  -1.635989153925  -62.605323953474
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.982611363069  8.061383787252  8.021895452814  0.366631479211  0.020921558947  -0.042753661525  -0.002185604671  -0.001071416012  -0.002993664090
  1  Al  8.053627966572  1.943284194987  1.899244814722  0.222623377938  0.234687786442  0.084923269281  -0.000357140313  -0.001645413348  -0.003724293526
  2  Al  1.952132106697  7.980624426150  1.970899870204  0.013719695612  0.556175722428  0.257846434659  -0.002008500486  -0.002277014906  -0.000654928315
  3  Al  1.941155345420  1.981630025344  8.056151708467  -0.017672605270  -0.050180260905  0.015284842096  -0.002627099899  -0.001561497192  -0.002050997206
  4  Al  0.038045627588  8.005184287575  4.218312724378  0.151801536293  0.243503179603  -0.666629081074  0.002025962240  -0.002310096532  0.002785179294
  5  Al  0.016732365627  2.016928460679  6.138724456512  -0.023555676261  -0.079207964778  -0.292363482821  0.000458754736  -0.000629301189  0.000981730460
  6  Al  1.983495586693  0.001095820808  6.053685318147  0.124517095680  0.053031842762  0.177701011496  -0.001247446280  0.000912529707  -0.000041599910
  7  Al  2.011515752731  2.042446308986  4.130747657179  -0.046069860289  -0.134148997182  -0.203907791215  -0.000648364494  -0.000063227420  0.002219698164
  8  Al  8.044365072169  4.153950829217  7.945007249000  0.010002487361  -0.290212736123  0.411978414504  -0.001746536756  0.002057590757  -0.003377437786
  9  Al  0.037483008417  6.057628583894  2.022682440521  -0.150839965435  -0.008777105788  0.037891061320  0.000781037989  -0.000594451496  0.000370675771
  10  Al  2.089876730318  3.947017326152  2.026137392061  -0.298828991132  0.326418666220  0.322738955818  0.000984369437  -0.001146799488  0.001416551678
  11  Al  2.042550730661  6.117197876339  0.152258778047  -0.098858289301  -0.111121454604  -0.314900897205  -0.000096121402  0.001092452321  0.004421500049
  12  Al  8.054063067909  4.093500749553  3.959939726147  0.362107332420  -0.248393702658  0.225555272867  0.000172518846  0.000760726310  -0.001646786335
  13  Al  0.007704949813  6.031013636755  5.971564570104  -0.098576942570  0.025800117953  0.359969933120  -0.000101205318  -0.001251718667  -0.002030292804
  14  Al  1.991855358752  3.985426196353  6.110146004049  -0.019825840541  0.053068463773  -0.290816600767  -0.001447229155  -0.002434047522  -0.000038568636
  15  Al  2.120732308371  6.082616288005  3.923800412526  -0.404511760227  -0.198924021988  0.452808011180  0.001217407336  -0.000534192290  -0.002910363647
  16  Al  4.195018000357  0.150433822359  0.014109075632  -0.082147777686  -0.378650367694  0.158959674435  0.004292217782  0.003699319531  0.001460981631
  17  Al  3.904364668234  1.900999164113  2.003312687444  0.390453199304  0.253368176458  0.100708746268  -0.002747669853  -0.002926210878  -0.000509547673
  18  Al  6.165042612421  7.971430474968  1.883172296620  -0.251034265494  0.438361446635  0.369927196259  0.001356198493  -0.003037233788  -0.003159229723
  19  Al  6.104481488971  2.147795299482  7.922319432250  -0.128070742617  -0.575006087152  0.692347317956  -0.000046390756  0.001661378114  -0.003748633914
  20  Al  4.082160630458  0.138025864571  4.061717067491  -0.223534705303  -0.423090878160  0.064513135416  0.000105856879  0.002480295605  0.000331022421
  21  Al  4.087670255479  1.990177131641  6.121730463654  -0.036653691220  0.216156445856  0.026009066582  0.001240424422  -0.000224641558  0.002007817631
  22  Al  6.077432028373  0.036211676672  6.102545099746  -0.096267162509  0.064357162246  0.084505020472  -0.000075866798  0.002082310675  0.001360010368
  23  Al  6.178454306404  2.048319987739  4.031638930959  -0.210965270838  0.005493875011  0.110400487668  0.002182353886  0.000702947405  0.000517039671
  24  Al  4.090565379085  4.025688285786  0.138802173527  0.051403019985  0.007928665835  -0.631088039356  0.001756273554  -0.001029156338  0.001996063757
  25  Al  4.005717891761  6.213936806154  2.149670780633  0.330655414250  -0.170264816413  -0.427478189138  -0.000324317587  0.003537787730  0.002379957224
  26  Al  6.000551136692  4.164256239238  1.934980252978  0.305243981590  -0.314310799961  0.374300267253  -0.001547919796  0.002959266780  -0.001544577142
  27  Al  6.015951775173  6.128997153870  0.115157976215  -0.011605782267  -0.243139653745  -0.741123759342  -0.001800868766  0.000716837763  0.001363283242
  28  Al  4.077582717074  4.113932880773  4.142309361006  -0.096899622659  -0.023651874588  -0.199656013297  0.000510683046  0.001963269245  0.001712017206
  29  Al  3.950771312388  6.112835243077  6.256146750381  0.387067650773  -0.070627183329  -0.214599567616  -0.001176260069  0.000843350413  0.004536209424
  30  Al  6.108696528861  3.927660742971  6.099720926796  -0.119765375538  0.628606757526  -0.286078621400  0.000712797865  -0.002018996715  0.000066052842
  31  Al  6.187531935075  6.028310313592  4.021408323521  -0.300541943261  0.191828037374  -0.016972413893  0.002387685886  -0.000714653581  -0.001494863564


MDSTEP:  65
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -69.370383707384  -0.170571933458  1.151293753726
  -0.170571933458  -71.077549763704  -1.609992041775
  1.151293753726  -1.609992041775  -62.242818141074
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.981534949052  8.060849014434  8.020396709693  0.369793098690  0.019532444773  -0.035938346814  -0.002119768750  -0.001067799448  -0.003000699109
  1  Al  8.053459347614  1.942471978788  1.897386464004  0.221452899997  0.238132431257  0.089805484905  -0.000317440156  -0.001603143500  -0.003708672878
  2  Al  1.951128469720  7.979510779587  1.970583931706  0.012983210697  0.569527801929  0.262700938268  -0.002006113262  -0.002176377678  -0.000608391688
  3  Al  1.939841005511  1.980847033706  8.055126893092  -0.016184310406  -0.050082450828  0.026653853409  -0.002630126687  -0.001570460619  -0.002047247911
  4  Al  0.039065394191  8.004040123829  4.219675515902  0.148906876273  0.248772699782  -0.676794845330  0.002052845394  -0.002266087360  0.002665077991
  5  Al  0.016960690064  2.016610269512  6.139202253181  -0.026325951906  -0.078038153453  -0.299519685267  0.000454295348  -0.000643358899  0.000928816456
  6  Al  1.982877429431  0.001554456170  6.053672461375  0.132613990812  0.044224386982  0.178542270692  -0.001224458913  0.000921224357  -0.000009751971
  7  Al  2.011189511175  2.042408698856  4.131848391643  -0.044442500499  -0.133933454935  -0.213822266695  -0.000656456245  -0.000087193832  0.002182353344
  8  Al  8.043492250899  4.154966652172  7.943336945420  0.010992439278  -0.292687645586  0.419774362582  -0.001744659822  0.002005479808  -0.003303079580
  9  Al  0.037866784910  6.057330965812  2.022869472125  -0.155277720390  -0.008876575025  0.036483886682  0.000753671249  -0.000596029724  0.000377324847
  10  Al  2.090355557469  3.946458517226  2.026860094236  -0.301488343974  0.321367800534  0.325636125245  0.000930701422  -0.001088887761  0.001474516026
  11  Al  2.042498251024  6.117739135404  0.154455452095  -0.095638864080  -0.115790891089  -0.327634918422  -0.000113509332  0.001072166492  0.004364057728
  12  Al  8.054165513423  4.093870009583  3.959126415234  0.362460632899  -0.254446973294  0.223656913489  0.000237294794  0.000715772651  -0.001606627032
  13  Al  0.007649940794  6.030388930679  5.970565514251  -0.099913147567  0.026006866460  0.364008153571  -0.000118950214  -0.001247087153  -0.001965569592
  14  Al  1.991130857966  3.984211544736  6.110113720315  -0.015518164470  0.062415298121  -0.296166205245  -0.001450388888  -0.002423723342  -0.000091044551
  15  Al  2.121322930483  6.082340300016  3.922365471086  -0.405748101857  -0.201766020113  0.464457889051  0.001144970584  -0.000570013742  -0.002828360619
  16  Al  4.197160437266  0.152266556565  0.014846671898  -0.085350141938  -0.389776759947  0.156772420186  0.004277243567  0.003630622600  0.001489207893
  17  Al  3.903008286450  1.899547384156  2.003062415258  0.391394765235  0.257913124766  0.106676603470  -0.002677773108  -0.002880502633  -0.000491007545
  18  Al  6.165709490511  7.969931452701  1.881609217395  -0.248080690480  0.451602588968  0.378455915810  0.001311577912  -0.002957671530  -0.003092324716
  19  Al  6.104452568869  2.148600285937  7.920476063014  -0.123636933602  -0.581205034253  0.711556994720  -0.000068893273  0.001558013524  -0.003623125699
  20  Al  4.082203566962  0.139247100337  4.061885462419  -0.225059360359  -0.426321746243  0.067299664857  0.000065752835  0.002404358619  0.000342806407
  21  Al  4.088288829281  1.990074472991  6.122735535067  -0.039992477010  0.218120658175  0.018263157992  0.001233572300  -0.000185817442  0.002011775542
  22  Al  6.077389791860  0.037255708755  6.103228882280  -0.100632994446  0.056051892801  0.080218444126  -0.000093469556  0.002093075173  0.001374736549
  23  Al  6.179536053261  2.048671707016  4.031902385664  -0.211125849091  0.006639394181  0.102685973059  0.002144619190  0.000704032112  0.000536089475
  24  Al  4.091445813562  4.025174062026  0.139771995957  0.047214024905  0.012314754326  -0.636390725470  0.001765089860  -0.001027346588  0.001882751906
  25  Al  4.005570513167  6.215698089233  2.150841651096  0.336538066476  -0.170708184658  -0.431956479467  -0.000264670885  0.003507304946  0.002303124273
  26  Al  5.999790821110  4.165721823029  1.934224695518  0.312676243978  -0.324230965197  0.383086437076  -0.001492678094  0.002902181525  -0.001476867219
  27  Al  6.015050822015  6.129344704480  0.115806489823  -0.012927905707  -0.245836597806  -0.754760093936  -0.001803062064  0.000673123575  0.001229552111
  28  Al  4.077833727213  4.114913458164  4.143156445045  -0.098352149662  -0.024422928683  -0.199636728643  0.000493227653  0.001958971386  0.001676320671
  29  Al  3.950200484163  6.113253761269  6.258405262556  0.386044819353  -0.070678940362  -0.216135082118  -0.001107144272  0.000830717729  0.004497702001
  30  Al  6.109047574317  3.926679343150  6.099741165587  -0.122529164534  0.642669495018  -0.295688263292  0.000691136877  -0.001905345370  0.000014043227
  31  Al  6.188712343882  6.027961561459  4.020660133077  -0.304846296616  0.193511683399  -0.012291848493  0.002333564536  -0.000680204438  -0.001497479772


MDSTEP:  66
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -69.038649772558  -0.167687371679  1.215804653185
  -0.167687371679  -70.772111252497  -1.580394959185
  1.215804653185  -1.580394959185  -61.889988893196
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.980491594319  8.060315987804  8.018894753705  0.373776749470  0.018876683274  -0.031673466702  -0.002053294046  -0.001064365694  -0.003006743565
  1  Al  8.053310526415  1.941681051487  1.895536141844  0.220636774151  0.240706199398  0.091382992023  -0.000277917601  -0.001560335610  -0.003692474736
  2  Al  1.950125993435  7.978448048472  1.970291478516  0.010141709058  0.583879738742  0.264139656545  -0.002004045908  -0.002073263726  -0.000561292451
  3  Al  1.938525218733  1.980059564726  8.054104460556  -0.015936429538  -0.050502468279  0.034909423823  -0.002632998262  -0.001579452851  -0.002041744191
  4  Al  0.040098472981  8.002918200215  4.220977802368  0.146314338968  0.255315637244  -0.683512978900  0.002079237995  -0.002221022161  0.002543467276
  5  Al  0.017186660976  2.016285101780  6.139653272967  -0.028471329409  -0.077674235635  -0.303674695949  0.000449396504  -0.000657279494  0.000874891235
  6  Al  1.982271127780  0.002017045165  6.053675566176  0.139078470738  0.036745468299  0.182959859877  -0.001200169767  0.000928463014  0.000022566105
  7  Al  2.010859296486  2.042359115154  4.132930010523  -0.044617845153  -0.134973899478  -0.220140493677  -0.000664418188  -0.000111233991  0.002143557330
  8  Al  8.042620412347  4.155956309024  7.941704169420  0.012749206860  -0.295890653767  0.424782333931  -0.001742537333  0.001952861256  -0.003227576712
  9  Al  0.038236679666  6.057032554170  2.023059765368  -0.159366121662  -0.007920365065  0.031776097129  0.000725542276  -0.000597531361  0.000383427249
  10  Al  2.090807431741  3.945928438391  2.027611908087  -0.305738663309  0.314874806867  0.324494277257  0.000876415687  -0.001032008049  0.001532637299
  11  Al  2.042437221329  6.118270042831  0.156622835775  -0.094017147656  -0.119778487991  -0.343949962281  -0.000130464468  0.001051106729  0.004304018437
  12  Al  8.054300362702  4.094216522204  3.958333099116  0.362698711630  -0.261454925187  0.224547524542  0.000302123610  0.000669651327  -0.001566557820
  13  Al  0.007585999599  6.029766549602  5.969599000511  -0.100925114282  0.027024018491  0.371763085579  -0.000136905036  -0.001242346224  -0.001899792079
  14  Al  1.990404969864  3.983002473010  6.110054959498  -0.012566056054  0.070457101312  -0.297396220819  -0.001452899600  -0.002411844629  -0.000144108681
  15  Al  2.121877278955  6.082046274263  3.920972051907  -0.409085700080  -0.203445797738  0.478412562035  0.001072124925  -0.000606239439  -0.002744068559
  16  Al  4.199295243924  0.154064444959  0.015598283525  -0.089246035260  -0.399721780205  0.151049093877  0.004261634772  0.003560041898  0.001516726954
  17  Al  3.901686895126  1.898118661480  2.002821679899  0.391558255233  0.261940064992  0.109030625138  -0.002607777571  -0.002834028065  -0.000471723447
  18  Al  6.166354190333  7.968472803438  1.880079971904  -0.242668541113  0.465809873565  0.383383536946  0.001267705221  -0.002875655400  -0.003024216720
  19  Al  6.104412595699  2.149353313006  7.918696306551  -0.117745482471  -0.587551279397  0.728081561625  -0.000090472718  0.001453527402  -0.003494422865
  20  Al  4.082226383293  0.140430223191  4.062059873898  -0.226909124475  -0.427713840834  0.073576334431  0.000025347120  0.002328008344  0.000355400638
  21  Al  4.088903827779  1.989991314199  6.123742239196  -0.044161506526  0.219413567800  0.013783973987  0.001226048983  -0.000146702141  0.002014640536
  22  Al  6.077338558817  0.038304751845  6.103919836295  -0.103308086142  0.048659328412  0.078871558130  -0.000111701768  0.002102436294  0.001388959101
  23  Al  6.180598925593  2.049024019851  4.032175020434  -0.209471657387  0.006819981061  0.097931651028  0.002107018022  0.000705235372  0.000554024572
  24  Al  4.092330468945  4.024660939198  0.140684925433  0.042237191445  0.015384190978  -0.645156253231  0.001773086745  -0.001024870319  0.001768182365
  25  Al  4.005453220877  6.217444111100  2.151973904906  0.341596209521  -0.170309615913  -0.439773072426  -0.000204046082  0.003476818156  0.002225192168
  26  Al  5.999058458599  4.167158420763  1.933503385759  0.321901171485  -0.335213783509  0.388043484778  -0.001435947249  0.002843227554  -0.001407928660
  27  Al  6.014148713110  6.129670277445  0.116387528326  -0.012400878668  -0.247726330680  -0.771509846289  -0.001805326442  0.000628999342  0.001093104482
  28  Al  4.078075944727  4.115891852159  4.143985681678  -0.099888910225  -0.026923705733  -0.195766731776  0.000475505020  0.001954381027  0.001640971836
  29  Al  3.949664168116  6.113665960806  6.260644452382  0.384238061327  -0.070174203266  -0.213969266329  -0.001038281439  0.000818125541  0.004459250927
  30  Al  6.109387665738  3.925755397601  6.099734970023  -0.123727189374  0.655381259843  -0.301877793135  0.000669121705  -0.001789300401  -0.000039378825
  31  Al  6.189865499611  6.027630109155  4.019910843749  -0.306675031102  0.195687452399  -0.004518851166  0.002278894892  -0.000645410265  -0.001498982639


MDSTEP:  67
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -68.711308704517  -0.163532248068  1.280448078238
  -0.163532248068  -70.469957776601  -1.547321405889
  1.280448078238  -1.547321405889  -61.544819502409
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.979481655006  8.059784648740  8.017389966128  0.376778365729  0.017562688253  -0.025243505922  -0.001986194863  -0.001061108036  -0.003011831909
  1  Al  8.053181430013  1.940911643178  1.893693989269  0.219164576400  0.244024341949  0.095815528171  -0.000238599621  -0.001517000987  -0.003675739299
  2  Al  1.949124423812  7.977437515860  1.970022639255  0.009556126143  0.596517116065  0.268480214975  -0.002002284933  -0.001967736946  -0.000513676550
  3  Al  1.937208007248  1.979267580855  8.053085148901  -0.014204786858  -0.050343757897  0.045615868177  -0.002635692869  -0.001588468444  -0.002034545277
  4  Al  0.041144632187  8.001819101668  4.222218983179  0.143052793362  0.260315051555  -0.692376097368  0.002105107246  -0.002174925083  0.002420463608
  5  Al  0.017410086568  2.015952990018  6.140077144416  -0.031612777529  -0.076375889925  -0.310318435727  0.000444025020  -0.000671051484  0.000820000613
  6  Al  1.981677259663  0.002482919183  6.053695027480  0.147214050029  0.027905788050  0.183988050208  -0.001174575386  0.000934242798  0.000055371031
  7  Al  2.010525092988  2.042297464865  4.133991948973  -0.042833102646  -0.134798714425  -0.229062547374  -0.000672236251  -0.000135351503  0.002103398844
  8  Al  8.041749713566  4.156919513428  7.940109368709  0.013975048712  -0.298385563812  0.431679900579  -0.001740148200  0.001899733314  -0.003151009495
  9  Al  0.038592327186  6.056733434451  2.023252899374  -0.163654441606  -0.007888140468  0.030063343376  0.000696664429  -0.000598944632  0.000388955658
  10  Al  2.091231973157  3.945426509177  2.028392731535  -0.308003159481  0.309666280019  0.326487090849  0.000821547532  -0.000976174446  0.001590834648
  11  Al  2.042367786557  6.118790242133  0.158759470532  -0.090707235800  -0.124309667686  -0.357073943180  -0.000146978718  0.001029285392  0.004241347315
  12  Al  8.054467637032  4.094539660909  3.957559857413  0.362459069763  -0.267199956274  0.223299034251  0.000366952286  0.000622389894  -0.001526520603
  13  Al  0.007513035758  6.029146584455  5.968665722172  -0.102200489183  0.027402978252  0.375753581888  -0.000155064344  -0.001237480482  -0.001832964532
  14  Al  1.989677958365  3.981799700107  6.109969611634  -0.008368576015  0.079749777230  -0.302132369600  -0.001454771144  -0.002398416223  -0.000197706182
  15  Al  2.122395055407  6.081734060577  3.919621402527  -0.409889651529  -0.205953943135  0.490076668136  0.000998909013  -0.000642839533  -0.002657486195
  16  Al  4.201422072038  0.155826598463  0.016363398852  -0.092839377839  -0.410487344645  0.147936354959  0.004245356444  0.003487609682  0.001543456076
  17  Al  3.900400508879  1.896713356091  2.002590691812  0.392309342125  0.266354354859  0.114650006638  -0.002537700272  -0.002786798857  -0.000451726530
  18  Al  6.166977195732  7.967055797301  1.878585000675  -0.239445308453  0.478608219048  0.391363273045  0.001224604528  -0.002791224981  -0.002954954814
  19  Al  6.104362096151  2.150053813339  7.916981640149  -0.112948992597  -0.593122685499  0.745740648482  -0.000111096667  0.001347975848  -0.003362664032
  20  Al  4.082228914083  0.141575108681  4.062240863057  -0.228132134012  -0.430654204221  0.076987614734  -0.000015333299  0.002251270749  0.000368860966
  21  Al  4.089514878265  1.989927770850  6.124750175604  -0.047558166745  0.220965480884  0.006245685460  0.001217849299  -0.000107332515  0.002016431176
  22  Al  6.077278090092  0.039358145049  6.104617841380  -0.107580054633  0.040437339931  0.074443839700  -0.000130555043  0.002110401483  0.001402665406
  23  Al  6.181643071283  2.049376942388  4.032456410236  -0.209549808426  0.007814228123  0.090963736732  0.002069557751  0.000706543662  0.000570911707
  24  Al  4.093218900307  4.024149191707  0.141540178322  0.037617804761  0.019563346206  -0.650414767695  0.001780225735  -0.001021746030  0.001652359083
  25  Al  4.005366467085  6.219174907389  2.153066843264  0.346933794258  -0.170474939303  -0.443950281762  -0.000142491907  0.003446352219  0.002146187823
  26  Al  5.998354873861  4.168565050583  1.932816766857  0.329072906630  -0.344780783120  0.396282817886  -0.001377750551  0.002782436443  -0.001337810353
  27  Al  6.013245495573  6.129973703822  0.116899594305  -0.013439996743  -0.249990550567  -0.784867644296  -0.001807636601  0.000584503747  0.000953965256
  28  Al  4.078309232232  4.116867839191  4.144797416881  -0.101202699958  -0.027797425914  -0.195037721928  0.000457527549  0.001949488990  0.001606034149
  29  Al  3.949162202724  6.114071886810  6.262864513483  0.382793372191  -0.069963017007  -0.215387029429  -0.000969709283  0.000805597357  0.004420866729
  30  Al  6.109716696021  3.924890042748  6.099701786763  -0.126123129986  0.668368200405  -0.310793917676  0.000646785234  -0.001670957983  -0.000094151313
  31  Al  6.190991238774  6.027316151193  4.019161150438  -0.310633360064  0.197271393068  0.000785003710  0.002223707887  -0.000610279977  -0.001499316442


MDSTEP:  68
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -68.391168832606  -0.160014039603  1.347779889525
  -0.160014039603  -70.168989200012  -1.510538956708
  1.347779889525  -1.510538956708  -61.209758079627
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.978505399456  8.059254879768  8.015882921796  0.380598490911  0.016726464245  -0.020027089393  -0.001918485821  -0.001058042606  -0.003015879073
  1  Al  8.053071926795  1.940164050500  1.891860402545  0.218188572676  0.246596118570  0.097730539244  -0.000199500508  -0.001473139808  -0.003658436395
  2  Al  1.948123708502  7.976480311525  1.969777801966  0.007067255191  0.609766519325  0.269893399898  -0.002000798813  -0.001859895904  -0.000465546267
  3  Al  1.935889525864  1.978471096282  8.052069915278  -0.013499957437  -0.050596705813  0.054518253892  -0.002638169657  -0.001597492461  -0.002025593346
  4  Al  0.042203580227  8.000743275132  4.223398265976  0.140067659955  0.266274242792  -0.699231712629  0.002130418047  -0.002127848312  0.002296054693
  5  Al  0.017630685996  2.015614050296  6.140473273580  -0.033951489062  -0.075841871433  -0.314502386601  0.000438163614  -0.000684659662  0.000764142001
  6  Al  1.981096552395  0.002951287963  6.053730937207  0.153585643708  0.020558574670  0.188085275302  -0.001147684071  0.000938575483  0.000088634166
  7  Al  2.010187060236  2.042223763651  4.135033409368  -0.042769717640  -0.135590106150  -0.235821688230  -0.000679889092  -0.000159524103  0.002061838469
  8  Al  8.040880264146  4.157856042338  7.938553159925  0.015950661388  -0.301372195300  0.437186560244  -0.001737472860  0.001846115326  -0.003073333348
  9  Al  0.038933344095  6.056433609538  2.023448721026  -0.167632593010  -0.006936909571  0.025628748788  0.000667047564  -0.000600269982  0.000393934499
  10  Al  2.091628979273  3.944952263945  2.029202742735  -0.311550290591  0.303385738161  0.324961237018  0.000766159820  -0.000921367958  0.001649073743
  11  Al  2.042290242611  6.119299328224  0.160864183090  -0.088830194761  -0.128359198993  -0.371902322109  -0.000163029258  0.001006696945  0.004176177269
  12  Al  8.054667314988  4.094838912097  3.956806578512  0.362191111289  -0.273694007891  0.223338750170  0.000431735583  0.000574034293  -0.001486591450
  13  Al  0.007430935254  6.028529069119  5.967766035980  -0.103088972597  0.028525408842  0.382671451495  -0.000173417101  -0.001232480518  -0.001765161783
  14  Al  1.988950198720  3.980604056787  6.109857253316  -0.005346033333  0.087637311836  -0.303259085023  -0.001455997222  -0.002383451916  -0.000251827819
  15  Al  2.122876187968  6.081403434730  3.918314565712  -0.412786969977  -0.207551583462  0.502300311276  0.000925362210  -0.000679806682  -0.002568768281
  16  Al  4.203540600368  0.157552054641  0.017141739601  -0.097118688431  -0.420266614993  0.142870737506  0.004228374305  0.003413340770  0.001569454058
  17  Al  3.899149194854  1.895331862623  2.002369953368  0.392090994533  0.270550011249  0.117035700812  -0.002467575346  -0.002738799924  -0.000431013965
  18  Al  6.167578794862  7.965681578457  1.877125017090  -0.233828906742  0.491798493321  0.396260686448  0.001182294094  -0.002704471196  -0.002884541698
  19  Al  6.104301499031  2.150701288854  7.915333642519  -0.107041444340  -0.598530407148  0.761838393131  -0.000130763682  0.001241442768  -0.003227887358
  20  Al  4.082211049994  0.142681493939  4.062428734864  -0.229678631032  -0.431925095250  0.082339528521  -0.000056261310  0.002174156670  0.000383104718
  21  Al  4.090121677078  1.989883981684  6.125758670372  -0.051847704122  0.222171708761  0.001618030437  0.001208962473  -0.000067716313  0.002017134188
  22  Al  6.077208003774  0.040415153328  6.105322501701  -0.110111127476  0.033106323434  0.072484816271  -0.000150016505  0.002116976243  0.001415800741
  23  Al  6.182668483344  2.049730563512  4.032745932141  -0.207847108787  0.008088530704  0.085653302083  0.002032242713  0.000707965359  0.000586701166
  24  Al  4.094110694679  4.023639193168  0.142337284515  0.032381118038  0.022688506441  -0.657500944760  0.001786483597  -0.001017968739  0.001535432192
  25  Al  4.005310728970  6.220890463319  2.154120092729  0.351352436761  -0.170129884194  -0.451242581811  -0.000080065532  0.003415902349  0.002066158111
  26  Al  5.997680708047  4.169940857206  1.932165575405  0.337695054110  -0.354945805574  0.401135518865  -0.001318141891  0.002719881300  -0.001266521626
  27  Al  6.012341076509  6.130254781192  0.117341493582  -0.012913254001  -0.251700130345  -0.799474382723  -0.001809992566  0.000539652898  0.000812326017
  28  Al  4.078533472276  4.117841341150  4.145591715827  -0.102674915162  -0.030181971081  -0.192066082453  0.000439301011  0.001944305667  0.001571427298
  29  Al  3.948694458833  6.114471558162  6.265065319111  0.380673054540  -0.069530311781  -0.213316289294  -0.000901455836  0.000793126736  0.004382540906
  30  Al  6.110034450972  3.924084439617  6.099640818710  -0.127231382235  0.680016875199  -0.316608879679  0.000624135491  -0.001550413156  -0.000150240751
  31  Al  6.192089207498  6.027019829177  4.018411527306  -0.312092672365  0.199261971428  0.007402203304  0.002168036548  -0.000574830129  -0.001498584511


MDSTEP:  69
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -68.075896060659  -0.155835672784  1.415847046898
  -0.155835672784  -69.872174629911  -1.470509563976
  1.415847046898  -1.470509563976  -60.883757182952
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.977563169185  8.058726606133  8.014374087055  0.383627574289  0.015610302344  -0.014153135194  -0.001850164463  -0.001055151718  -0.003018934765
  1  Al  8.052981929505  1.939438503370  1.890035552874  0.216581266527  0.249731682947  0.101562627476  -0.000160632342  -0.001428768396  -0.003640619704
  2  Al  1.947123625000  7.975577619956  1.969557092987  0.006368493907  0.621848096538  0.273509918938  -0.001999597665  -0.001749790286  -0.000416966332
  3  Al  1.934569837592  1.977670088393  8.051059555555  -0.011739254644  -0.050444804814  0.064301670647  -0.002640426027  -0.001606525513  -0.002014970915
  4  Al  0.043275050233  7.999691253356  4.224515037872  0.136533722073  0.271181764089  -0.706650841765  0.002155146046  -0.002079800063  0.002170369625
  5  Al  0.017848250181  2.015268330356  6.140841286417  -0.037237828801  -0.074539422579  -0.320395160164  0.000431799331  -0.000698103661  0.000707382536
  6  Al  1.980529575592  0.003421494667  6.053783661646  0.161226935337  0.012243422100  0.189646766276  -0.001119540013  0.000941507962  0.000122403187
  7  Al  2.009845203896  2.042137940762  4.136053787442  -0.041195211306  -0.135555758068  -0.243547730079  -0.000687395507  -0.000183764383  0.002018983127
  8  Al  8.040012240706  4.158765628753  7.937036035361  0.017404131286  -0.304040090903  0.443044827906  -0.001734490961  0.001791991826  -0.002994641183
  9  Al  0.039259374750  6.056133164469  2.023646833873  -0.171810962532  -0.006657481227  0.023454341468  0.000636701511  -0.000601485313  0.000398322498
  10  Al  2.091998132977  3.944505141219  2.030041805277  -0.313676267130  0.297803587312  0.325827241867  0.000710264936  -0.000867621988  0.001707253847
  11  Al  2.042204757299  6.119796939078  0.162935647801  -0.085789084515  -0.132610429425  -0.385349221361  -0.000178640118  0.000983366415  0.004108479429
  12  Al  8.054899372615  4.095113695203  3.956073265964  0.361528711265  -0.279303250921  0.222768101083  0.000496435707  0.000524596666  -0.001446709761
  13  Al  0.007339618658  6.027914103938  5.966900560389  -0.104224060092  0.029170015632  0.386923673250  -0.000191950763  -0.001227322581  -0.001696360434
  14  Al  1.988221961143  3.979416248191  6.109717783815  -0.001574736370  0.096339218464  -0.306965457978  -0.001456615935  -0.002367004523  -0.000306381532
  15  Al  2.123320417617  6.081054253895  3.917052634246  -0.413735778497  -0.209607646146  0.513666178225  0.000851471566  -0.000717100470  -0.002477941478
  16  Al  4.205650446344  0.159239939233  0.017932852910  -0.101144316677  -0.430389987623  0.138846213670  0.004210649710  0.003337292573  0.001594639387
  17  Al  3.897932933533  1.893974556166  2.002159677846  0.392363009835  0.274771397633  0.121869169367  -0.002397445623  -0.002690048513  -0.000409656011
  18  Al  6.168159489826  7.964351326106  1.875700458976  -0.229931204718  0.504105740048  0.403290509785  0.001140834214  -0.002615437947  -0.002813062295
  19  Al  6.104231332469  2.151295256106  7.913753752790  -0.101757127075  -0.603350268687  0.777700255132  -0.000149430151  0.001133995347  -0.003090253515
  20  Al  4.082172652773  0.143749265351  4.062623967775  -0.230717372742  -0.434212810786  0.086440384509  -0.000097420440  0.002096724454  0.000398193542
  21  Al  4.090723840738  1.989860054537  6.126767309792  -0.055459163681  0.223344610286  -0.005362013987  0.001199369303  -0.000027887418  0.002016799478
  22  Al  6.077128073587  0.041475121293  6.106033642122  -0.113882692422  0.025336978970  0.068160224615  -0.000170041420  0.002122201040  0.001428374325
  23  Al  6.183675313996  2.050084907747  4.033043111402  -0.207470895585  0.008805039261  0.079656299990  0.001995113530  0.000709475634  0.000601479747
  24  Al  4.095005383904  4.023131222968  0.143075610514  0.027463508332  0.026404173738  -0.662838768521  0.001791833671  -0.001013579883  0.001417394604
  25  Al  4.005286401554  6.222590809738  2.155133001375  0.355983551120  -0.169917073720  -0.455571992435  -0.000016830113  0.003385502352  0.001985089425
  26  Al  5.997036731971  4.171284931883  1.931550245231  0.344928612757  -0.364191481665  0.408244089869  -0.001257115739  0.002655590852  -0.001194163568
  27  Al  6.011435503008  6.130513356720  0.117711920322  -0.013385221003  -0.253613198832  -0.812397680674  -0.001812343634  0.000494478185  0.000668225609
  28  Al  4.078748533243  4.118812144858  4.146368844179  -0.103952531467  -0.031506172530  -0.190429677524  0.000420828639  0.001938790783  0.001537232404
  29  Al  3.948260746888  6.114865013546  6.267247054389  0.378837999899  -0.069131064505  -0.214168194641  -0.000833555998  0.000780730491  0.004344324046
  30  Al  6.110340831512  3.923339629592  6.099551546011  -0.129000716571  0.691563139083  -0.324350182338  0.000601228493  -0.001427794715  -0.000207542112
  31  Al  6.193159275322  6.026741321064  4.017662565927  -0.315163090800  0.200811773984  0.013267562589  0.002111960254  -0.000539063773  -0.001496736646


MDSTEP:  70
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -67.769235144800  -0.152281295197  1.485980312615
  -0.152281295197  -69.576791476802  -1.426472359957
  1.485980312615  -1.426472359957  -60.567951631849
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.976655234993  8.058199728050  8.012863987032  0.387281003342  0.015127587004  -0.009802110924  -0.001781245692  -0.001052403769  -0.003021076350
  1  Al  8.052911294453  1.938735282104  1.888219782841  0.215400257582  0.252078307863  0.102533252319  -0.000122013450  -0.001383906880  -0.003622373653
  2  Al  1.946124110837  7.974730521239  1.969360835633  0.003679750618  0.634387709004  0.273762701482  -0.001998699358  -0.001637483549  -0.000368040484
  3  Al  1.933249099837  1.976864570769  8.050054944363  -0.011071203197  -0.050547564631  0.071861750971  -0.002642465269  -0.001615554171  -0.002002797986
  4  Al  0.044358726273  7.998663475069  4.225568635601  0.133271556000  0.277289705386  -0.711561652922  0.002179266479  -0.002030767038  0.002043582268
  5  Al  0.018062485327  2.014915946636  6.141180656116  -0.039800212580  -0.073820936477  -0.323598366580  0.000424912176  -0.000711366989  0.000649809896
  6  Al  1.979977012382  0.003892795925  6.053853340394  0.167050583323  0.005431078298  0.194502767223  -0.001090192197  0.000943088052  0.000156745928
  7  Al  2.009499664729  2.042039999269  4.137052392494  -0.041574377678  -0.136397273804  -0.248523190832  -0.000694795059  -0.000208076823  0.001974992278
  8  Al  8.039145773185  4.159648034164  7.935558518742  0.019695478416  -0.307377575120  0.447039635777  -0.001731174278  0.001737331448  -0.002915068159
  9  Al  0.039570045606  6.055832124225  2.023847043524  -0.175371000976  -0.005483114861  0.018121563064  0.000605663649  -0.000602570675  0.000402039359
  10  Al  2.092339244209  3.944084641957  2.030909996582  -0.317064702885  0.291314258911  0.322743442580  0.000653877067  -0.000814955202  0.001765235683
  11  Al  2.042111602493  6.120282694638  0.164972662519  -0.084221409579  -0.136467615677  -0.400837479056  -0.000193838956  0.000959310997  0.004038194804
  12  Al  8.055163750695  4.095363508763  3.955359868751  0.360900990181  -0.285864436812  0.224128325050  0.000561020494  0.000474071009  -0.001406757485
  13  Al  0.007238984491  6.027301746538  5.966069675546  -0.104939503492  0.030437719376  0.394414291941  -0.000210649862  -0.001221993685  -0.001626509283
  14  Al  1.987493582785  3.978237052264  6.109550871784  0.000866973653  0.103632296402  -0.306877168538  -0.001456679208  -0.002349127188  -0.000361258700
  15  Al  2.123727659534  6.080686334260  3.915836624233  -0.416539636453  -0.210888255347  0.526024241921  0.000777245435  -0.000754692555  -0.002384993770
  16  Al  4.207751250078  0.160889347215  0.018736378988  -0.105735774560  -0.439413023503  0.132445143667  0.004192154752  0.003259532699  0.001618892673
  17  Al  3.896751749232  1.892641814110  2.001960297357  0.391937586068  0.278956983454  0.123093137936  -0.002327329614  -0.002640545524  -0.000387756526
  18  Al  6.168719629076  7.963066140510  1.874311954795  -0.223728859495  0.517077036630  0.406844183109  0.001100277273  -0.002524144811  -0.002740636733
  19  Al  6.104152068880  2.151835284201  7.912243389004  -0.095285351094  -0.608074803155  0.791582691198  -0.000167045632  0.001025694663  -0.002949960548
  20  Al  4.082113629554  0.144778218393  4.062826928406  -0.232072599353  -0.434975618133  0.092904705762  -0.000138793590  0.002019019523  0.000414226887
  21  Al  4.091321046381  1.989856094266  6.127775469850  -0.059867793046  0.224268199707  -0.009052080253  0.001189059141  0.000012128903  0.002015510866
  22  Al  6.077037962354  0.042537354368  6.106750876026  -0.115734679505  0.018574984937  0.066765847456  -0.000190569077  0.002126126744  0.001440436636
  23  Al  6.184663596874  2.050440039147  4.033347411888  -0.205145589565  0.008888237078  0.075769426262  0.001958225860  0.000711057403  0.000615374715
  24  Al  4.095902528351  4.022625613285  0.143754679119  0.021832560730  0.028901569468  -0.670357355487  0.001796240711  -0.001008635582  0.001298207660
  25  Al  4.005293898857  6.224275965671  2.156105182154  0.359452576787  -0.169340449587  -0.463106604809  0.000047129453  0.003355172931  0.001902960102
  26  Al  5.996423592308  4.172596448058  1.930971411837  0.353414597465  -0.374368632649  0.411714468817  -0.001194684269  0.002589564015  -0.001120859759
  27  Al  6.010528732875  6.130749259377  0.118009719190  -0.012222429070  -0.254823687421  -0.827088889207  -0.001814632943  0.000449024229  0.000521656480
  28  Al  4.078954300915  4.119780131933  4.147128948231  -0.105413461747  -0.034229484707  -0.186228585807  0.000402111443  0.001932914054  0.001503559378
  29  Al  3.947860902835  6.115252288653  6.269409643157  0.376237762372  -0.068546754341  -0.211563223857  -0.000766052672  0.000768422175  0.004306263909
  30  Al  6.110635679465  3.922656644902  6.099433276598  -0.129345051637  0.701517993668  -0.328629527341  0.000578132534  -0.001303254086  -0.000265918111
  31  Al  6.194201167752  6.026480765404  4.016914790660  -0.315888040625  0.202735559038  0.020974659080  0.002055544657  -0.000502986881  -0.001493675412


MDSTEP:  71
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -67.467457954056  -0.147653615908  1.556408543797
  -0.147653615908  -69.287606876393  -1.379050006815
  1.556408543797  -1.379050006815  -60.261548545529
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.975781923493  8.057674202364  8.011353010705  0.389746468378  0.013393940436  -0.001653748911  -0.001711779897  -0.001049853962  -0.003022100497
  1  Al  8.052859916056  1.938054596489  1.886413179220  0.213381347558  0.255387525900  0.108122214249  -0.000083680628  -0.001338539735  -0.003603541179
  2  Al  1.945124925642  7.973940136407  1.969189052503  0.004039051383  0.644740004479  0.278810501047  -0.001998009301  -0.001523130289  -0.000318640767
  3  Al  1.931927372323  1.976054534223  8.049056757569  -0.008191926453  -0.049956804985  0.083605624945  -0.002644187381  -0.001624539202  -0.001988899294
  4  Al  0.045454316712  7.997660486318  4.226558620140  0.129111320245  0.280968908779  -0.720550563348  0.002202723352  -0.001980859049  0.001915552284
  5  Al  0.018273162357  2.014556963367  6.141491096313  -0.043727511998  -0.072054252180  -0.330922544903  0.000417444846  -0.000724408144  0.000591296114
  6  Al  1.979439383395  0.004364582719  6.053940407574  0.175504725758  -0.003438560145  0.194019348217  -0.001059567955  0.000943266182  0.000191479575
  7  Al  2.009150408837  2.041929863939  4.138028779720  -0.038953784657  -0.135873579020  -0.258123097059  -0.000701994229  -0.000232417676  0.001929698400
  8  Al  8.038281066428  4.160502960202  7.934120967202  0.020962296652  -0.309310202141  0.454640061925  -0.001727539497  0.001682199926  -0.002834458528
  9  Al  0.039865038399  6.055530593794  2.024048873232  -0.179675326735  -0.005534905462  0.017577651017  0.000573922718  -0.000603555679  0.000405230848
  10  Al  2.092652010044  3.943690186017  2.031807040960  -0.317837780295  0.286470157660  0.324637017184  0.000597117161  -0.000763301617  0.001823111112
  11  Al  2.042010918343  6.120756250075  0.166973842604  -0.080259488057  -0.140931191152  -0.411062785048  -0.000208543451  0.000934511708  0.003965611401
  12  Al  8.055460393109  4.095587766212  3.954666508478  0.359305871125  -0.290341808590  0.221470915582  0.000625406561  0.000422558512  -0.001366921177
  13  Al  0.007128968796  6.026692110253  5.965274051106  -0.106347062178  0.031026247988  0.396040097985  -0.000229538756  -0.001216498842  -0.001555843128
  14  Al  1.986765281935  3.977067121003  6.109356525116  0.005408085191  0.112746447166  -0.311992050728  -0.001456118222  -0.002329783057  -0.000416585241
  15  Al  2.124097663053  6.080299561340  3.914667640476  -0.416182053137  -0.212947953115  0.534576152900  0.000702800609  -0.000792583261  -0.002290176723
  16  Al  4.209842601096  0.162499471933  0.019551745583  -0.109934101137  -0.449834004758  0.130405524943  0.004172873993  0.003180034541  0.001642391368
  17  Al  3.895605603919  1.891334010642  2.001771921320  0.392312930381  0.283438706896  0.129666592861  -0.002257218082  -0.002590267682  -0.000365159956
  18  Al  6.169259767099  7.961827181294  1.872959822244  -0.220505341488  0.527746784010  0.415477116692  0.001060562999  -0.002430738180  -0.002667121696
  19  Al  6.104064286838  2.152320950769  7.910803792242  -0.090564650980  -0.611665122434  0.807903550660  -0.000183660512  0.000916650635  -0.002806967425
  20  Al  4.082033859183  0.145768284874  4.063038194662  -0.232484312021  -0.437759227815  0.094648191382  -0.000180324702  0.001940997545  0.000430994005
  21  Al  4.091912899878  1.989872183440  6.128782820658  -0.063256365944  0.225390789519  -0.017680924295  0.001178051914  0.000052328150  0.002013120951
  22  Al  6.076937504509  0.043601248036  6.107474078757  -0.120174963192  0.010312068258  0.060367348594  -0.000211659260  0.002128709229  0.001451802268
  23  Al  6.185633539857  2.050795965149  4.033658486116  -0.205626593390  0.009901429173  0.067820243660  0.001921503070  0.000712737188  0.000628211546
  24  Al  4.096801624615  4.022122587386  0.144373818174  0.016867177716  0.033167676410  -0.672418275861  0.001799700444  -0.001003086628  0.001178164313
  25  Al  4.005333531007  6.225945982669  2.157035961477  0.363831781470  -0.169381703823  -0.465346051666  0.000111790647  0.003324891371  0.001819956985
  26  Al  5.995842047701  4.173874495899  1.930429385472  0.359327612528  -0.382156855684  0.420402386096  -0.001130965538  0.002521931085  -0.001046469005
  27  Al  6.009620870065  6.130962380948  0.118233576802  -0.013253295001  -0.256723072393  -0.836340253952  -0.001816910457  0.000403292251  0.000372946900
  28  Al  4.079150644687  4.120745058912  4.147872403557  -0.106272586587  -0.034946427395  -0.187091635832  0.000383186836  0.001926729769  0.001470184771
  29  Al  3.947494694216  6.115633435721  6.271553318298  0.374451010543  -0.068156692060  -0.213959590074  -0.000698941540  0.000756200968  0.004268222422
  30  Al  6.110918964046  3.922036375506  6.099285627900  -0.131552728555  0.712497971579  -0.337460946824  0.000554808427  -0.001176841896  -0.000325466205
  31  Al  6.195214819979  6.026238334183  4.016168890515  -0.319449807124  0.203823704900  0.024411928560  0.001998745830  -0.000466640723  -0.001489617878


MDSTEP:  72
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -67.174342010591  -0.144355951306  1.629046034943
  -0.144355951306  -69.000389528146  -1.327415708391
  1.629046034943  -1.327415708391  -59.967961060851
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.974943455096  8.057149874089  8.009841886535  0.393526627930  0.012972463519  0.003193539071  -0.001641755746  -0.001047496821  -0.003021962840
  1  Al  8.052827613825  1.937396742368  1.884616241662  0.212307481398  0.257723076112  0.108887752556  -0.000045624299  -0.001292667951  -0.003584140617
  2  Al  1.944126101536  7.973207390950  1.969042194866  0.001793591725  0.656620889936  0.278595759244  -0.001997487866  -0.001406789395  -0.000268808977
  3  Al  1.930604912455  1.975240031567  8.048066045069  -0.006941625986  -0.049836235087  0.091519823073  -0.002645540312  -0.001633460640  -0.001973243183
  4  Al  0.046561449626  7.996682616020  4.227484187885  0.125628329247  0.286740623031  -0.725024423675  0.002225496926  -0.001930106153  0.001786318736
  5  Al  0.018479930173  2.014191538491  6.141771952231  -0.046421968382  -0.071254577979  -0.333594536621  0.000409385536  -0.000737219869  0.000531888681
  6  Al  1.978917444427  0.004836062107  6.054044819969  0.181379959169  -0.010212374320  0.198932150870  -0.001027662676  0.000942045797  0.000226609206
  7  Al  2.008797670499  2.041807581593  4.138982090894  -0.038844564061  -0.136564039484  -0.263202180869  -0.000708949355  -0.000256773438  0.001883092228
  8  Al  8.037418233689  4.161330234090  7.932724060215  0.023849931179  -0.312672373924  0.458791238620  -0.001723533310  0.001626595052  -0.002752798310
  9  Al  0.040143968324  6.055228568546  2.024252274371  -0.182967351368  -0.004279398336  0.012021893972  0.000541502677  -0.000604433072  0.000407877029
  10  Al  2.092936361370  3.943321340340  2.032733107695  -0.320452685065  0.279588794928  0.320703543270  0.000540054371  -0.000712696282  0.001880804176
  11  Al  2.041903059042  6.121217206346  0.168938273920  -0.078455124284  -0.144765899009  -0.425827521802  -0.000222732443  0.000908970557  0.003890793903
  12  Al  8.055789157256  4.095786067275  3.953992947574  0.358366713868  -0.296652056792  0.222320494635  0.000689566065  0.000370081608  -0.001327246488
  13  Al  0.007009445736  6.026085247696  5.964513832417  -0.106633437711  0.032571243698  0.403212779967  -0.000248579086  -0.001210813264  -0.001484390394
  14  Al  1.986037464564  3.975907269208  6.109134286543  0.008119741267  0.119847162901  -0.311242585826  -0.001454908842  -0.002308989325  -0.000472302049
  15  Al  2.124430460143  6.079893750999  3.913546447511  -0.418315788979  -0.214014459798  0.545809207199  0.000628196996  -0.000830753448  -0.002193590911
  16  Al  4.211924124071  0.164069381756  0.020378770356  -0.115164684575  -0.458384615036  0.124256580383  0.004152750295  0.003098840335  0.001665158009
  17  Al  3.894494531150  1.890051546428  2.001595137401  0.391155691972  0.287676133490  0.130587446394  -0.002187176451  -0.002539210354  -0.000341893399
  18  Al  6.169780192075  7.960635402329  1.871644833100  -0.214218833036  0.539858476375  0.418554973273  0.001021698915  -0.002335294902  -0.002592559720
  19  Al  6.103968408369  2.152751934837  7.909436421579  -0.084101091043  -0.615473517737  0.820858604441  -0.000199275526  0.000806945168  -0.002661357053
  20  Al  4.081933304852  0.146719215938  4.063257922411  -0.233664107512  -0.438135456784  0.100635645996  -0.000221998095  0.001862693078  0.000448452264
  21  Al  4.092499098295  1.989908422416  6.129788590802  -0.067959600025  0.226092438306  -0.021126385677  0.001166321284  0.000092690483  0.002009651601
  22  Al  6.076826303094  0.044666063597  6.108202678294  -0.122075596885  0.003807305081  0.058573377966  -0.000233316316  0.002129971493  0.001462435499
  23  Al  6.186585099944  2.051152776334  4.033975623434  -0.203437838194  0.009845708045  0.063757202538  0.001884932952  0.000714502570  0.000639974492
  24  Al  4.097702228795  4.021622526657  0.144932843433  0.010476848508  0.035407266973  -0.678725754310  0.001802144984  -0.000996956069  0.001057372837
  25  Al  4.005405689503  6.227600857042  2.157925139139  0.366630924043  -0.168684752379  -0.472584213358  0.000177093580  0.003294668430  0.001736106574
  26  Al  5.995292626770  4.175118379143  1.929924942832  0.367104573742  -0.391675512454  0.423330502573  -0.001066022930  0.002452750929  -0.000971039784
  27  Al  6.008711822418  6.131152551629  0.118382666090  -0.012119835123  -0.257547582599  -0.849280850584  -0.001819178800  0.000357316759  0.000222253371
  28  Al  4.079337487751  4.121706861702  4.148599133002  -0.107957269163  -0.037849194893  -0.183318846464  0.000364034814  0.001920221883  0.001437070294
  29  Al  3.947161961296  6.116008489621  6.273677865579  0.371149135831  -0.067456615725  -0.211151563586  -0.000632285328  0.000744077219  0.004230217736
  30  Al  6.111190487892  3.921479803006  6.099107810393  -0.131797596819  0.721031699738  -0.340977031563  0.000531265064  -0.001048685193  -0.000386118159
  31  Al  6.196199913582  6.026014124681  4.015425172782  -0.319960551669  0.205675380204  0.031513378295  0.001941582922  -0.000430031748  -0.001484618188


MDSTEP:  73
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -66.890470424405  -0.139279817089  1.701684330782
  -0.139279817089  -68.719756460280  -1.274056767812
  1.701684330782  -1.274056767812  -59.683209653911
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.974140167747  8.056626705544  8.008331047865  0.396016779092  0.011815220176  0.009143135113  -0.001571171032  -0.001045280816  -0.003020859949
  1  Al  8.052814291757  1.936761928538  1.882829038604  0.210068516612  0.260720512924  0.112801223854  -0.000007864134  -0.001246319401  -0.003564321753
  2  Al  1.943127437776  7.972533347012  1.968920243526  0.001067255192  0.666133444968  0.281897579742  -0.001997232108  -0.001288535941  -0.000218701205
  3  Al  1.929281832011  1.974421073582  8.047083514386  -0.005006979867  -0.049287491564  0.100328101654  -0.002646608510  -0.001642322243  -0.001956092092
  4  Al  0.047679813638  7.995730380165  4.228344938876  0.121384942945  0.290692575304  -0.730733716101  0.002247579766  -0.001878483967  0.001656174820
  5  Al  0.018682547893  2.013819743499  6.142022984994  -0.050317004393  -0.069712048531  -0.339250452331  0.000400737129  -0.000749822202  0.000471736737
  6  Al  1.978411720719  0.005306628516  6.054167016780  0.187780111549  -0.017700315539  0.200076784316  -0.000994659984  0.000939550419  0.000262280369
  7  Al  2.008441459481  2.041673090502  4.139911871948  -0.037810382351  -0.136427973316  -0.269581357891  -0.000715802262  -0.000281178762  0.001835461695
  8  Al  8.036557533118  4.162129555254  7.931368168892  0.025441106202  -0.315188983123  0.463668768282  -0.001719126721  0.001570464619  -0.002670330932
  9  Al  0.040406541076  6.054926160721  2.024456750261  -0.186953832801  -0.003876350479  0.010275510281  0.000508431942  -0.000605162192  0.000409870404
  10  Al  2.093192064415  3.942977489735  2.033687845136  -0.322003642207  0.274551181689  0.320443457425  0.000482619156  -0.000663156496  0.001938122339
  11  Al  2.041788185900  6.121665220632  0.170864636507  -0.075734167682  -0.148740139226  -0.437670744815  -0.000236516874  0.000882731291  0.003813597669
  12  Al  8.056149959175  4.095957847820  3.953339261990  0.356320202840  -0.301212971396  0.222016843797  0.000753458653  0.000316632829  -0.001287522993
  13  Al  0.006880389709  6.025481296988  5.963789660712  -0.107743184085  0.033527889128  0.406179395132  -0.000267744229  -0.001204904041  -0.001412031213
  14  Al  1.985310373092  3.974758131678  6.108884223067  0.011031518246  0.127682348041  -0.314143370734  -0.001453196731  -0.002286860334  -0.000528211183
  15  Al  2.124725860049  6.079468807892  3.912474049565  -0.419377873600  -0.215455756638  0.554884012512  0.000553307679  -0.000869147831  -0.002095189589
  16  Al  4.213995351391  0.165598312267  0.021216903592  -0.119505905500  -0.467616552153  0.119829279288  0.004131770883  0.003016056379  0.001686979140
  17  Al  3.893418427468  1.888794800289  2.001430027921  0.391153467462  0.291837721988  0.134850608463  -0.002117238475  -0.002487402158  -0.000318163394
  18  Al  6.170281466014  7.959491886392  1.870367262523  -0.209357753593  0.550155348413  0.424691319636  0.000983831419  -0.002237848312  -0.002517174001
  19  Al  6.103865011312  2.153127895936  7.908142435189  -0.078216904587  -0.618408214612  0.833676149296  -0.000213786658  0.000696636871  -0.002513442626
  20  Al  4.081811861088  0.147630977952  4.063486646927  -0.234042870701  -0.439787548215  0.104559640489  -0.000263810822  0.001784207282  0.000466796602
  21  Al  4.093079221163  1.989964873923  6.130792472259  -0.071395112280  0.226845412441  -0.027862090888  0.001153863056  0.000133182859  0.002005272060
  22  Al  6.076704188193  0.045731219529  6.108936514256  -0.124615309955  -0.003074190337  0.053556991256  -0.000255370337  0.002130037033  0.001472459887
  23  Al  6.187518472809  2.051510467719  4.034298460608  -0.202244558759  0.010523348809  0.058784097740  0.001848665186  0.000716323552  0.000650929611
  24  Al  4.098603769599  4.021125631317  0.145431191011  0.005418341896  0.038723645010  -0.682490098938  0.001803566005  -0.000990328809  0.000935680946
  25  Al  4.005510624587  6.229240651099  2.158772068051  0.369771887117  -0.168358235277  -0.476051322698  0.000242927555  0.003264536986  0.001651299119
  26  Al  5.994776024771  4.176327246828  1.929458345689  0.373986083478  -0.399441892974  0.429524539545  -0.000999769865  0.002382025502  -0.000894795048
  27  Al  6.007801691265  6.131319697707  0.118455830173  -0.011621807150  -0.258793649307  -0.859205058815  -0.001821301289  0.000311156159  0.000069515742
  28  Al  4.079514679500  4.122665280796  4.149309473851  -0.108752974402  -0.039310928886  -0.181662193604  0.000344661046  0.001913323814  0.001404441205
  29  Al  3.946862408888  6.116377512940  6.275783536035  0.368769580664  -0.067034660087  -0.211855601699  -0.000566137033  0.000732053778  0.004192401146
  30  Al  6.111450229110  3.920987690313  6.098899509741  -0.132318042312  0.729601192979  -0.347350782046  0.000507653282  -0.000918999471  -0.000447654258
  31  Al  6.197156402901  6.025808302435  4.014684272327  -0.321191487070  0.206618059788  0.036669352737  0.001884264309  -0.000393172958  -0.001478522693


MDSTEP:  74
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -66.613874805301  -0.135067216299  1.776401765109
  -0.135067216299  -68.442825068007  -1.215662312231
  1.776401765109  -1.215662312231  -59.410739386868
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.973372284064  8.056104593272  8.006821026586  0.398901781513  0.011004140762  0.014520281181  -0.001500105784  -0.001043240779  -0.003018744454
  1  Al  8.052819749690  1.936150422967  1.881051919908  0.208354998795  0.262881302681  0.114284460123  0.000029542680  -0.001199509709  -0.003544020428
  2  Al  1.942128869427  7.971918855009  1.968823493662  -0.000297271342  0.675997651363  0.282524142764  -0.001997163272  -0.001168550216  -0.000168242237
  3  Al  1.927958303945  1.973597709325  8.046109952977  -0.003003862629  -0.048908402751  0.108271358058  -0.002647324675  -0.001651100898  -0.001937443424
  4  Al  0.048809029392  7.994804132054  4.229140362706  0.117315480254  0.295376397638  -0.734995140927  0.002268919443  -0.001826089748  0.001525139528
  5  Al  0.018880667303  2.013441716290  6.142243688968  -0.053809564601  -0.068701682173  -0.342501890995  0.000391428276  -0.000762196307  0.000410788481
  6  Al  1.977922784443  0.005775612526  6.054307100338  0.193839200031  -0.024520087606  0.203709446645  -0.000960543444  0.000935775940  0.000298378619
  7  Al  2.008081868237  2.041526402831  4.140817552589  -0.037136704701  -0.136988134143  -0.274557024198  -0.000722502488  -0.000305622000  0.001786816046
  8  Al  8.035699106968  4.162900698709  7.930053729283  0.027930175777  -0.318077616295  0.467729799671  -0.001714355360  0.001513850960  -0.002587064451
  9  Al  0.040652400266  6.054623406354  2.024662144776  -0.190362494029  -0.002547118197  0.005788363681  0.000474700086  -0.000605736446  0.000411306505
  10  Al  2.093418980526  3.942658183844  2.034671230033  -0.323415202148  0.268690931043  0.316897570698  0.000424919093  -0.000614590973  0.001995100249
  11  Al  2.041666542168  6.122099937638  0.172751871589  -0.073368395549  -0.152416739921  -0.450703361551  -0.000249846555  0.000855808045  0.003734177550
  12  Al  8.056542615909  4.096102700104  3.952705424581  0.354565294724  -0.306279119469  0.222687995537  0.000817011395  0.000262323395  -0.001247766644
  13  Al  0.006741701506  6.024880343655  5.963101801204  -0.108431239818  0.035200367078  0.411688304284  -0.000287070095  -0.001198759776  -0.001338914325
  14  Al  1.984584267833  3.973620408874  6.108606075360  0.013929963811  0.134848168851  -0.314019761704  -0.001450965189  -0.002263390261  -0.000584368595
  15  Al  2.124983767822  6.079024603168  3.911451257921  -0.420592490325  -0.216232363035  0.564367214430  0.000478214826  -0.000907740493  -0.001995129192
  16  Al  4.216055894954  0.167085438135  0.022065749496  -0.124554416844  -0.476169269190  0.114051122023  0.004109952035  0.002931682485  0.001707887910
  17  Al  3.892377292674  1.887564144270  2.001276974007  0.390430463212  0.296014254130  0.136476085524  -0.002047365335  -0.002434848539  -0.000293906948
  18  Al  6.170764023494  7.958397554018  1.869127659099  -0.203597019327  0.560606845424  0.428152861132  0.000946913507  -0.002138546829  -0.002440930236
  19  Al  6.103754621710  2.153448571708  7.906922978953  -0.072057516386  -0.621299593751  0.845278727867  -0.000227221103  0.000585807727  -0.002363345054
  20  Al  4.081669494030  0.148503423220  4.063724719012  -0.234612371780  -0.440618672386  0.109720901219  -0.000305708323  0.001705499487  0.000485953155
  21  Al  4.093652961350  1.990041605275  6.131793862862  -0.075608227255  0.227253106732  -0.032047412643  0.001140721044  0.000173778998  0.001999916186
  22  Al  6.076570932757  0.046796100630  6.109675138181  -0.126644866352  -0.009626318901  0.050729952735  -0.000277832848  0.002128901615  0.001481783078
  23  Al  6.188433765130  2.051869099886  4.034626553046  -0.200609005982  0.010395969432  0.054789092923  0.001812650316  0.000718193726  0.000661082987
  24  Al  4.099505794799  4.020632197848  0.145868524378  -0.000576401992  0.041279180017  -0.687183007082  0.001803998871  -0.000983176604  0.000813232981
  25  Al  4.005648617059  6.230865394028  2.159576438258  0.372170592636  -0.167706899946  -0.481787977552  0.000309256774  0.003234492962  0.001565668853
  26  Al  5.994292856906  4.177500404644  1.929030147784  0.380612115727  -0.407554694750  0.432805241139  -0.000932309232  0.002309880484  -0.000817703276
  27  Al  6.006890521129  6.131463707787  0.118452181832  -0.010649885930  -0.259279305577  -0.869871649784  -0.001823292365  0.000264840743  -0.000085062692
  28  Al  4.079682148798  4.123620185516  4.150003574207  -0.109970069474  -0.041619381561  -0.178681869502  0.000325107336  0.001906088692  0.001372226659
  29  Al  3.946595824263  6.116740543399  6.277870266725  0.365772306822  -0.066271576470  -0.210121837757  -0.000500469423  0.000720136280  0.004154676613
  30  Al  6.111698141174  3.920560803535  6.098660156135  -0.132662085807  0.737048503337  -0.350864865059  0.000483964215  -0.000787881856  -0.000510074323
  31  Al  6.198084177891  6.025620951722  4.013946650090  -0.321863281029  0.208220157635  0.042862877121  0.001826775594  -0.000356086667  -0.001471412558


MDSTEP:  75
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -66.344679582405  -0.130059346992  1.850707233573
  -0.130059346992  -68.172206944249  -1.155163922486
  1.850707233573  -1.155163922486  -59.148658044535
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.972640061963  8.055583464765  8.005312303411  0.401488566058  0.009340355076  0.022452668828  -0.001428551361  -0.001041421993  -0.003015439094
  1  Al  8.052843834437  1.935562418829  1.879285018176  0.206170624130  0.266178776860  0.119965833148  0.000066601025  -0.001152212051  -0.003523078590
  2  Al  1.941130274503  7.971364796796  1.968752001289  -0.000064545910  0.684095039481  0.286856415878  -0.001997195619  -0.001046958734  -0.000117339952
  3  Al  1.926634507336  1.972769972685  8.045146070962  -0.000031368886  -0.047938221665  0.118921103746  -0.002647596023  -0.001659758929  -0.001917132552
  4  Al  0.049948733081  7.993904290417  4.229870078405  0.112784502287  0.298444197839  -0.742012852773  0.002289490245  -0.001773002538  0.001393095888
  5  Al  0.019073976169  2.013057547191  6.142433773475  -0.057967057570  -0.066496917939  -0.349394202635  0.000381435512  -0.000774282982  0.000348933380
  6  Al  1.977451177276  0.006242404455  6.054465395399  0.201108359022  -0.032879715571  0.203141800222  -0.000925235366  0.000930644431  0.000334750879
  7  Al  2.007718956994  2.041367468502  4.141698687995  -0.035281842128  -0.136059612790  -0.282731490405  -0.000728976663  -0.000330032307  0.001736994783
  8  Al  8.034843177759  4.163643406214  7.928781104441  0.029993406193  -0.319975883034  0.474059268797  -0.001709177026  0.001456809355  -0.002502869066
  9  Al  0.040881241161  6.054320424276  2.024868056766  -0.193855153196  -0.002540172639  0.005331953742  0.000440351256  -0.000606191247  0.000412300655
  10  Al  2.093616983509  3.942362898762  2.035682945385  -0.323875379518  0.263985750106  0.317587109391  0.000367051699  -0.000566969993  0.002051822804
  11  Al  2.041538339345  6.122521028677  0.174598814057  -0.069909703054  -0.156543988915  -0.459967375955  -0.000262655532  0.000828187138  0.003652764125
  12  Al  8.056966970570  4.096220171216  3.952091495347  0.352372973652  -0.310175603039  0.220608735077  0.000880211258  0.000207212708  -0.001208136178
  13  Al  0.006593319614  6.024282537213  5.962450746387  -0.109150712804  0.035969336875  0.412393849908  -0.000306521793  -0.001192397246  -0.001265241868
  14  Al  1.983859407903  3.972494741417  6.108299854472  0.017498509812  0.143326488471  -0.318294928873  -0.001448155502  -0.002238521611  -0.000640897154
  15  Al  2.125204074875  6.078561067398  3.910478920373  -0.420202025432  -0.217901162877  0.571286633652  0.000403048294  -0.000946551774  -0.001893602411
  16  Al  4.218105303426  0.168529994752  0.022924791502  -0.129815548687  -0.485597417527  0.111257123152  0.004087211511  0.002845701113  0.001728030333
  17  Al  3.891371062133  1.886359951749  2.001136120973  0.389888744673  0.300481849167  0.142374835194  -0.001977605260  -0.002381522141  -0.000268977841
  18  Al  6.171228379521  7.957353339563  1.867926332287  -0.199253174735  0.569555191616  0.435802921248  0.000910898938  -0.002037511012  -0.002363693101
  19  Al  6.103637790209  2.153713703664  7.905779090135  -0.066480677627  -0.622874903925  0.858248960781  -0.000239606335  0.000474579264  -0.002211050687
  20  Al  4.081506152764  0.149336477439  4.063972600082  -0.234724320841  -0.442818883934  0.111702057079  -0.000347666746  0.001626520692  0.000505748237
  21  Al  4.094219942207  1.990138652921  6.132792388445  -0.079295398653  0.227943293206  -0.040218873658  0.001126872752  0.000214473286  0.001993455623
  22  Al  6.076426355344  0.047860121144  6.110418297334  -0.129908081370  -0.017159842381  0.043586894739  -0.000300768530  0.002126506948  0.001490214949
  23  Al  6.189331123125  2.052228661446  4.034959543596  -0.199940933497  0.011327537354  0.047867094654  0.001776841389  0.000720135795  0.000670260390
  24  Al  4.100407768470  4.020142454713  0.146244423992  -0.006347937610  0.045101599346  -0.688009954577  0.001803379839  -0.000975454213  0.000690291544
  25  Al  4.005819881361  6.232475144061  2.160337736904  0.374533822598  -0.167599929263  -0.483203791675  0.000376011706  0.003204516730  0.001479399160
  26  Al  5.993843715539  4.178637127312  1.928640642412  0.386281052084  -0.414220042577  0.440333575475  -0.000863749437  0.002236414309  -0.000739645183
  27  Al  6.005978398900  6.131584538450  0.118370767481  -0.010591980812  -0.260531675608  -0.876595139795  -0.001825191375  0.000218369949  -0.000241195789
  28  Al  4.079839786836  4.124571369488  4.150681700509  -0.111053203197  -0.042485665649  -0.179057504726  0.000305347986  0.001898569751  0.001340244971
  29  Al  3.946361939465  6.117097649219  6.279938212648  0.362821946717  -0.065841870002  -0.212534478927  -0.000435333528  0.000708325416  0.004116891389
  30  Al  6.111934193326  3.920199808457  6.098389435417  -0.133475898383  0.745042128402  -0.358118022911  0.000460171637  -0.000655383831  -0.000573456974
  31  Al  6.198983178495  6.025452215768  4.013212859769  -0.323717563315  0.208849965538  0.046359782201  0.001769061049  -0.000318800845  -0.001463436105


MDSTEP:  76
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -66.084249842036  -0.125162502877  1.927137236366
  -0.125162502877  -67.905829029371  -1.089661964330
  1.927137236366  -1.089661964330  -58.900870568568
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.971943732703  8.055063171279  8.003805587492  0.404054423538  0.008677013458  0.028125581254  -0.001356536294  -0.001039811251  -0.003010917428
  1  Al  8.052886350716  1.934998210916  1.877528841318  0.203941514337  0.268391483860  0.121552162068  0.000103264808  -0.001104421786  -0.003501487024
  2  Al  1.940131673809  7.970871896275  1.968706153709  -0.001096002988  0.693067254127  0.287180285537  -0.001997299371  -0.000923841241  -0.000066021411
  3  Al  1.925310707923  1.971937950396  8.044192820424  0.002229297880  -0.047285173908  0.126815776702  -0.002647399529  -0.001668271844  -0.001895163821
  4  Al  0.051098519637  7.993031129516  4.230533458594  0.107978423295  0.302771239794  -0.745695739613  0.002309226320  -0.001719254234  0.001260095621
  5  Al  0.019262102815  2.012667433308  6.142592622348  -0.061900564147  -0.065265773438  -0.352413816201  0.000370719418  -0.000786062489  0.000286192159
  6  Al  1.976997549077  0.006706256957  6.054641851217  0.206967610639  -0.039415223889  0.206559297449  -0.000888753616  0.000924181307  0.000371377915
  7  Al  2.007352891574  2.041196370524  4.142554547372  -0.034408387732  -0.136433296717  -0.287458286095  -0.000735206928  -0.000354393012  0.001686020155
  8  Al  8.033989929942  4.164357508064  7.927550860217  0.032457470116  -0.322979715524  0.478016033780  -0.001703593954  0.001399329505  -0.002417754098
  9  Al  0.041092751521  6.054017215107  2.025074445430  -0.197363697947  -0.001279981152  0.001001236164  0.000405376522  -0.000606532766  0.000412866838
  10  Al  2.093786032224  3.942091213851  2.036723052837  -0.324781377009  0.257861931135  0.313401396713  0.000309062169  -0.000520317119  0.002108232803
  11  Al  2.041403886635  6.122928124776  0.176404635714  -0.067523860396  -0.160062648171  -0.472199275012  -0.000274942012  0.000799882692  0.003569428978
  12  Al  8.057422827166  4.096309912812  3.951497288403  0.349676175039  -0.315014923167  0.221033708866  0.000942974036  0.000151321045  -0.001168653605
  13  Al  0.006435179714  6.023687946408  5.961836559336  -0.109963771355  0.037764171476  0.417248652126  -0.000326110498  -0.001185805514  -0.001191072320
  14  Al  1.983136112330  3.971381887263  6.107965178206  0.020391048288  0.150024543963  -0.317744688965  -0.001444768198  -0.002212296203  -0.000697758719
  15  Al  2.125386816116  6.078078051394  3.909557655511  -0.420881218986  -0.218401879028  0.579686798376  0.000327855950  -0.000985557007  -0.001790706067
  16  Al  4.220143106465  0.169931139248  0.023793779829  -0.135059468447  -0.493470841713  0.105665096543  0.004063531841  0.002758172990  0.001747423051
  17  Al  3.890399687414  1.885182622129  2.001007996166  0.389187412654  0.304622370065  0.143907272486  -0.001907956312  -0.002327426182  -0.000243384390
  18  Al  6.171674922432  7.956360043005  1.866763965998  -0.193305167989  0.579316269788  0.439066824444  0.000875804454  -0.001934802584  -0.002285480264
  19  Al  6.103515015375  2.153923150972  7.904711928266  -0.060218762528  -0.624587911211  0.868647151437  -0.000250933190  0.000363056827  -0.002056667197
  20  Al  4.081321827284  0.150129943912  4.064230467249  -0.234618210720  -0.443197539268  0.116468266644  -0.000389625690  0.001547311349  0.000526146528
  21  Al  4.094779834102  1.990256078562  6.133787318485  -0.083311450870  0.228246516181  -0.044427928537  0.001112335796  0.000255256385  0.001985888249
  22  Al  6.076270164227  0.048922607578  6.111165353130  -0.131734087871  -0.023366325223  0.040081682374  -0.000324159185  0.002122883932  0.001497694870
  23  Al  6.190210606519  2.052589235681  4.035296813435  -0.198311761128  0.011093816791  0.043830217867  0.001741237834  0.000722140251  0.000678458075
  24  Al  4.101309174639  4.019656743635  0.146558815923  -0.012369171001  0.047284069836  -0.691688527708  0.001801706541  -0.000967194989  0.000566947317
  25  Al  4.006024628765  6.234069910759  2.161055837418  0.376419710742  -0.166828611191  -0.488267704646  0.000443146508  0.003174619017  0.001392550183
  26  Al  5.993429107469  4.179736818954  1.928290502601  0.392467897765  -0.421896489940  0.443227984623  -0.000794129742  0.002161665987  -0.000660655303
  27  Al  6.005065329754  6.131682077736  0.118210986044  -0.009320284244  -0.260756257064  -0.885576520051  -0.001826971520  0.000171767117  -0.000398732892
  28  Al  4.079987496784  4.125518755266  4.151343819177  -0.111835043181  -0.045008117655  -0.176253454148  0.000285421909  0.001890747858  0.001308480381
  29  Al  3.946160490734  6.117448868815  6.281987158114  0.359692890586  -0.065064452643  -0.211011081698  -0.000370741130  0.000696622468  0.004079026666
  30  Al  6.112158312811  3.919905419703  6.098086699161  -0.133538872765  0.750959651199  -0.360948113395  0.000436300675  -0.000521642158  -0.000637741061
  31  Al  6.199853238940  6.025302150877  4.012483213984  -0.323922713574  0.210234829230  0.052169710615  0.001711162391  -0.000281334913  -0.001454627627


MDSTEP:  77
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -65.833529774348  -0.119661369458  2.002854224893
  -0.119661369458  -67.647225413189  -1.022174690096
  2.002854224893  -1.022174690096  -58.663108904988
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.971283525669  8.054543653514  8.002301385983  0.406301450597  0.007187606835  0.034734396662  -0.001284090959  -0.001038392963  -0.003005297783
  1  Al  8.052947099245  1.934457997043  1.875783531151  0.201677645319  0.271311202014  0.126115413855  0.000139526920  -0.001056172686  -0.003479345690
  2  Al  1.939132975132  7.970440955555  1.968685979878  -0.000943242882  0.699921236438  0.290466437214  -0.001997481678  -0.000799308895  -0.000014380136
  3  Al  1.923987107807  1.971101700841  8.043250907142  0.005172516543  -0.046216100185  0.135571579096  -0.002646737811  -0.001676630802  -0.001871706547
  4  Al  0.052257959401  7.992185036184  4.231130174026  0.103324672268  0.305527215242  -0.750282530588  0.002328116692  -0.001664872712  0.001126356049
  5  Al  0.019444695587  2.012271484702  6.142719965634  -0.066193971780  -0.063305273052  -0.358167244766  0.000359267842  -0.000797556664  0.000222666633
  6  Al  1.976562423660  0.007166585762  6.054836773314  0.213370897221  -0.047044674706  0.206591440190  -0.000851175602  0.000916451843  0.000408313346
  7  Al  2.006983750066  2.041013075490  4.143384708149  -0.032913258008  -0.135980792963  -0.293372585223  -0.000741225443  -0.000378746670  0.001634094219
  8  Al  8.033139583805  4.165042735718  7.926363350343  0.034853161721  -0.324978240559  0.482561654915  -0.001697576424  0.001341402447  -0.002331879021
  9  Al  0.041286617683  6.053713891509  2.025280923604  -0.200554510118  -0.000825728970  -0.000212560824  0.000369802870  -0.000606721015  0.000412937345
  10  Al  2.093926045677  3.941842581643  2.037791178188  -0.325031205043  0.253312686906  0.312365160733  0.000250969309  -0.000474618411  0.002164175962
  11  Al  2.041263397333  6.123320911369  0.178168243035  -0.064399465489  -0.163844690760  -0.481968046286  -0.000286735879  0.000770925568  0.003484126985
  12  Al  8.057909944606  4.096371492261  3.950922841741  0.347018205502  -0.318407193934  0.220486124457  0.001005258101  0.000094693483  -0.001129181994
  13  Al  0.006267209117  6.023096731698  5.961259674068  -0.110595007562  0.039036177518  0.418413469953  -0.000345828322  -0.001178939609  -0.001116364621
  14  Al  1.982414639705  3.970282445214  6.107602095752  0.023407590369  0.157853281575  -0.320442048827  -0.001440852626  -0.002184772107  -0.000754812236
  15  Al  2.125531930825  6.077575510391  3.908688214306  -0.420643144346  -0.219275498734  0.586586386307  0.000252624170  -0.001024685106  -0.001686441935
  16  Al  4.222168835267  0.171288167742  0.024672214554  -0.140458725283  -0.502289349427  0.101358962316  0.004038900677  0.002669152618  0.001765930880
  17  Al  3.889463105820  1.884032525567  2.000892736583  0.388431070492  0.308814217121  0.148501958290  -0.001838437681  -0.002272585314  -0.000217243178
  18  Al  6.172104183975  7.955418536979  1.865640852023  -0.188456675583  0.587168908722  0.444920542869  0.000841675172  -0.001830519500  -0.002206452316
  19  Al  6.103386857019  2.154076760491  7.903722422938  -0.054247160786  -0.625511716458  0.878645616290  -0.000261166376  0.000251298660  -0.001900460258
  20  Al  4.081116527074  0.150883788787  4.064498746610  -0.234631814295  -0.444981953513  0.119695739174  -0.000431576365  0.001467908628  0.000547259451
  21  Al  4.095332278002  1.990393909306  6.134778276694  -0.087088482779  0.228483958314  -0.051523371497  0.001097102142  0.000296087819  0.001977310259
  22  Al  6.076102196159  0.049983005076  6.111915992204  -0.134115932121  -0.030283818137  0.033694437565  -0.000347926019  0.002118087641  0.001504290411
  23  Al  6.191072360958  2.052950801697  4.035638001671  -0.197203556431  0.011613414504  0.038903114701  0.001705878998  0.000724170264  0.000685854386
  24  Al  4.102209475011  4.019175259724  0.146811371309  -0.018357085458  0.050737106351  -0.693119534375  0.001798959632  -0.000958431954  0.000443146296
  25  Al  4.006263027868  6.235649763077  2.161730287087  0.377832664926  -0.166385587360  -0.490023143548  0.000510576223  0.003144829865  0.001305091561
  26  Al  5.993049585797  4.180798793299  1.927979987110  0.397830366852  -0.427843276852  0.449037864290  -0.000723477545  0.002085699755  -0.000580887264
  27  Al  6.004151427380  6.131756305567  0.117972034590  -0.008630663099  -0.261224952300  -0.892036424303  -0.001828576324  0.000125102306  -0.000557650436
  28  Al  4.080125208745  4.126462117346  4.151990180891  -0.112777370296  -0.046153390892  -0.175206060006  0.000265341692  0.001882598073  0.001277060109
  29  Al  3.945991198335  6.117794271687  6.284017239314  0.356396491545  -0.064440019809  -0.212629145779  -0.000306723163  0.000685044845  0.004041153481
  30  Al  6.112370494000  3.919678166298  6.097751694357  -0.133618651650  0.757099024707  -0.366324282872  0.000412416950  -0.000386822605  -0.000702758782
  31  Al  6.200694340886  6.025170880856  4.011758232141  -0.324756810348  0.210926222366  0.056656680016  0.001653170826  -0.000243683364  -0.001444898612


MDSTEP:  78
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -65.591664455689  -0.114400003822  2.080619847149
  -0.114400003822  -67.393726443535  -0.951235421933
  2.080619847149  -0.951235421933  -58.440512162159
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.970659641744  8.054024778316  8.000800289709  0.408276649388  0.006942325144  0.038901398572  -0.001211268159  -0.001037129756  -0.002998714787
  1  Al  8.053025877636  1.933942038230  1.874049495628  0.198760822999  0.273456817015  0.126612532480  0.000175325882  -0.001007470747  -0.003456751961
  2  Al  1.938134192131  7.970072587380  1.968691773574  -0.001729250104  0.707774595516  0.289647874223  -0.001997720598  -0.000673461721  0.000037481740
  3  Al  1.922663970111  1.970261319593  8.042321113878  0.007770931014  -0.045395321873  0.141356785955  -0.002645580675  -0.001684820809  -0.001846949315
  4  Al  0.053426636329  7.991366256804  4.231659814643  0.097898686162  0.309775881821  -0.751362685919  0.002346105941  -0.001609864979  0.000992109856
  5  Al  0.019621370657  2.011869876643  6.142815288981  -0.070708885478  -0.062012747083  -0.360132832581  0.000347028808  -0.000808760021  0.000158451031
  6  Al  1.976146373475  0.007622708800  6.055050164564  0.218775224176  -0.052706234910  0.210735345048  -0.000812541994  0.000907534171  0.000445622114
  7  Al  2.006611666131  2.040817623854  4.144188641591  -0.032057509474  -0.136356356869  -0.295666968954  -0.000747033791  -0.000403093450  0.001581434431
  8  Al  8.032292353519  4.165698910511  7.925218981195  0.037022048026  -0.328374247311  0.484572066280  -0.001691150822  0.001282993122  -0.002245417839
  9  Al  0.041462554391  6.053410494092  2.025487382776  -0.204147316111  0.000593593763  -0.005172280076  0.000333622766  -0.000606741768  0.000412455944
  10  Al  2.094037001533  3.941616595440  2.038887228800  -0.325337456617  0.247181008951  0.306795892715  0.000192826735  -0.000429874571  0.002219528594
  11  Al  2.041117150757  6.123699050344  0.179888762699  -0.061956147087  -0.166994145198  -0.494871467479  -0.000298031996  0.000741348772  0.003396798111
  12  Al  8.058428085267  4.096404606295  3.950368106409  0.343473713770  -0.323046096516  0.222631247303  0.001066987670  0.000037347939  -0.001089567563
  13  Al  0.006089351392  6.022509006800  5.960720194715  -0.111621539586  0.041035915335  0.423644213449  -0.000365694350  -0.001171781211  -0.001041085163
  14  Al  1.981695259704  3.969197115155  6.107210365970  0.025990909600  0.163632539680  -0.318617334229  -0.001436436429  -0.002156031465  -0.000811943766
  15  Al  2.125639440285  6.077053366288  3.907871213576  -0.421032525597  -0.219430255523  0.595085210844  0.000177378863  -0.001063905140  -0.001580801194
  16  Al  4.224182007142  0.172600291866  0.025559710709  -0.145608495722  -0.509185740048  0.093958718908  0.004013326437  0.002578727344  0.001783392165
  17  Al  3.888561249734  1.882910036814  2.000790752988  0.388046855841  0.312844297880  0.148790623282  -0.001769021014  -0.002217009411  -0.000190665397
  18  Al  6.172516597603  7.954529523506  1.864557513681  -0.182450217154  0.596189255714  0.446639028372  0.000808516315  -0.001724727980  -0.002126747419
  19  Al  6.103253848999  2.154174449632  7.902811468007  -0.047973333902  -0.626273995847  0.885901102139  -0.000270304828  0.000139389759  -0.001742710827
  20  Al  4.080890250919  0.151597852540  4.064777726700  -0.233764682355  -0.444680652668  0.125958872500  -0.000473450734  0.001388373318  0.000569220827
  21  Al  4.095876936244  1.990552166381  6.135764628744  -0.090563594856  0.228380906253  -0.054660174526  0.001081220152  0.000336931268  0.001967817513
  22  Al  6.075922238207  0.051040695219  6.112669643541  -0.135658109380  -0.035489997491  0.030690334072  -0.000372043659  0.002112207501  0.001510046372
  23  Al  6.191916485517  2.053313405945  4.035982667822  -0.195550927312  0.011104577536  0.036988645707  0.001670766980  0.000726201239  0.000692639065
  24  Al  4.103108134270  4.018698311681  0.147001962219  -0.024083804814  0.052245437412  -0.697534490943  0.001795165441  -0.000949225376  0.000318822650
  25  Al  4.006535204988  6.237214740623  2.162360928978  0.379167535557  -0.165505414697  -0.495252228515  0.000578251593  0.003115159006  0.001217008526
  26  Al  5.992705629924  4.181822518708  1.927709615337  0.403525778282  -0.435134604748  0.450260977017  -0.000651836780  0.002008550043  -0.000500490480
  27  Al  6.003236753429  6.131807180042  0.117653335607  -0.007051458516  -0.260977049105  -0.900872285534  -0.001829978297  0.000078417756  -0.000717935413
  28  Al  4.080252838476  4.127401353340  4.152620879286  -0.113115928256  -0.049099091096  -0.170837790749  0.000245146965  0.001874082558  0.001246123993
  29  Al  3.945853767571  6.118133913660  6.286028311594  0.353348756956  -0.063472005434  -0.210468009945  -0.000243272358  0.000673609585  0.004003328845
  30  Al  6.112570729761  3.919518597098  6.097383940378  -0.133234296500  0.760865000427  -0.367368893187  0.000388560455  -0.000251117520  -0.000768350518
  31  Al  6.201506409766  6.025058467513  4.011038315372  -0.324412432950  0.212111803970  0.063646573771  0.001595135480  -0.000205864015  -0.001434143573


MDSTEP:  79
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -65.359215231589  -0.108032252846  2.156267022345
  -0.108032252846  -67.147626840790  -0.876286516272
  2.156267022345  -0.876286516272  -58.227215259753
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.970072257510  8.053506523758  7.999302671196  0.410839735206  0.005403335993  0.047409654467  -0.001138039639  -0.001036026061  -0.002990998630
  1  Al  8.053122425127  1.933450526295  1.872326779190  0.196846458399  0.275219050455  0.132320493563  0.000210692939  -0.000958419450  -0.003433603502
  2  Al  1.937135254535  7.969767493835  1.968723461618  -0.001822657550  0.713503774264  0.293624594303  -0.001998038136  -0.000546400276  0.000089625953
  3  Al  1.921341527132  1.969416880031  8.041403957827  0.010675876954  -0.044845229286  0.151702327919  -0.002643931541  -0.001692888261  -0.001820750003
  4  Al  0.054604065342  7.990575171204  4.232122283882  0.093161546110  0.312121726125  -0.757179029257  0.002363186612  -0.001554267702  0.000857247120
  5  Al  0.019791724394  2.011462724681  6.142878416665  -0.074810850757  -0.060891100495  -0.366564633048  0.000334019429  -0.000819747552  0.000093484708
  6  Al  1.975749881666  0.008074119932  6.055282395428  0.224442324980  -0.060133908715  0.209466491486  -0.000772918608  0.000897446328  0.000483187909
  7  Al  2.006236716274  2.040609982040  4.144966142580  -0.030753890939  -0.136612568853  -0.303088883191  -0.000752649093  -0.000427496710  0.001527906013
  8  Al  8.031448432982  4.166325728840  7.924117932504  0.040161443360  -0.330162171954  0.490505075872  -0.001684250664  0.001224120356  -0.002158246520
  9  Al  0.041620240450  6.053107149741  2.025693379548  -0.206712804074  0.002146031358  -0.005408497731  0.000296892115  -0.000606496847  0.000411510028
  10  Al  2.094118872413  3.941412707072  2.040010706782  -0.325236498362  0.242573237365  0.305955813415  0.000134665809  -0.000386090831  0.002274308234
  11  Al  2.040965365337  6.124062260141  0.181565041146  -0.059277773676  -0.169790451644  -0.501840820960  -0.000308870237  0.000711240428  0.003307692622
  12  Al  8.058976932276  4.096408840199  3.949833274179  0.340673892851  -0.325901659922  0.220347092691  0.001128150061  -0.000020667607  -0.001049965562
  13  Al  0.005901514767  6.021924950488  5.960218588905  -0.111775050015  0.043531623500  0.423061655989  -0.000385665873  -0.001164220923  -0.000965390159
  14  Al  1.980978203276  3.968126413749  6.106790151986  0.028802192906  0.171058688592  -0.321770148182  -0.001431537958  -0.002126110268  -0.000869194028
  15  Al  2.125709309688  6.076511605251  3.907107413112  -0.420671972681  -0.219155133230  0.599160898844  0.000102130980  -0.001103114414  -0.001474036299
  16  Al  4.226182161704  0.173866895086  0.026455606718  -0.151743880877  -0.517558571254  0.091444057964  0.003986743311  0.002486937011  0.001799967063
  17  Al  3.887694084807  1.881815516156  2.000702071186  0.386541397256  0.316383969949  0.154177917184  -0.001699773282  -0.002160756777  -0.000163580189
  18  Al  6.172912700290  7.953693808999  1.863514104604  -0.176823430257  0.602986295374  0.453348348420  0.000776397464  -0.001617522396  -0.002046289080
  19  Al  6.103116552191  2.154216150249  7.901979712111  -0.041653968887  -0.626933878753  0.895998512192  -0.000278317455  0.000027353717  -0.001583410056
  20  Al  4.080643076340  0.152272162105  4.065067967438  -0.233753914468  -0.446332345683  0.127131843753  -0.000515246620  0.001308717283  0.000591846988
  21  Al  4.096413498154  1.990730840574  6.136746094207  -0.094779705016  0.227747524348  -0.062550313604  0.001064650571  0.000377708879  0.001957338965
  22  Al  6.075730152500  0.052095212577  6.113426038576  -0.137258019071  -0.042295007611  0.022772448381  -0.000396442199  0.002105253568  0.001514825913
  23  Al  6.192743127938  2.053677002935  4.036330640736  -0.194045125768  0.010527040938  0.030474010567  0.001635937324  0.000728135093  0.000698670186
  24  Al  4.104004640452  4.018226034349  0.147130193959  -0.030784025990  0.055454724066  -0.696124866582  0.001790260290  -0.000939597045  0.000194230328
  25  Al  4.006841279461  6.238764922083  2.162947295613  0.379365110073  -0.164371928771  -0.495570237549  0.000646063962  0.003085668166  0.001128429584
  26  Al  5.992397749016  4.182807343342  1.927479496629  0.408415713747  -0.440180675533  0.456607771544  -0.000579249692  0.001930297375  -0.000419416951
  27  Al  6.002321449083  6.131834723323  0.117254099176  -0.005721418317  -0.260225434460  -0.903773348628  -0.001831120184  0.000031822562  -0.000879269665
  28  Al  4.080370355710  4.128336199904  4.153236304884  -0.114383501593  -0.050233358938  -0.171789056705  0.000224808651  0.001865202296  0.001215493356
  29  Al  3.945747925977  6.118467881273  6.288020568159  0.349321876609  -0.062102839051  -0.212973104598  -0.000180454019  0.000662383269  0.003965473461
  30  Al  6.112759054455  3.919427048778  6.096983343839  -0.132835030635  0.765483924143  -0.372888319851  0.000364774014  -0.000114662830  -0.000834529074
  31  Al  6.202289476366  6.024965016841  4.010324088569  -0.324404049518  0.213585317679  0.066012251331  0.001537131671  -0.000167806944  -0.001422552150


MDSTEP:  80
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -65.134869839502  -0.101987350005  2.234534026106
  -0.101987350005  -66.907897514658  -0.798970130396
  2.234534026106  -0.798970130396  -58.031565481024
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.969521602105  8.052988752255  7.997809291079  0.412958084890  0.004590949178  0.052455565638  -0.001064392602  -0.001035132578  -0.002982070738
  1  Al  8.053236570575  1.932983618780  1.870615892126  0.194077433936  0.278419919399  0.132605066729  0.000245641304  -0.000908924454  -0.003409919314
  2  Al  1.936136153995  7.969526187104  1.968781399527  -0.001814316671  0.719592405449  0.292184089357  -0.001998363279  -0.000418282326  0.000141996903
  3  Al  1.920020038570  1.968568431332  8.040500363874  0.013926317187  -0.042888833263  0.158013053847  -0.002641732119  -0.001700731634  -0.001793061632
  4  Al  0.055789822941  7.989811989102  4.232517061763  0.087709157073  0.315246576141  -0.758119833775  0.002379356346  -0.001498181347  0.000721780299
  5  Al  0.019955390086  2.011050129091  6.142908773689  -0.079291280128  -0.058321469442  -0.367898311510  0.000320242790  -0.000830405085  0.000027824156
  6  Al  1.975373454867  0.008520155129  6.055533352473  0.230098443147  -0.066267613877  0.213653689343  -0.000732282932  0.000886146107  0.000521014603
  7  Al  2.005859017038  2.040390127144  4.145716547603  -0.029503316031  -0.135812893548  -0.305712012011  -0.000758036052  -0.000451851385  0.001473479573
  8  Al  8.030608102855  4.166923030866  7.923060734675  0.042871108579  -0.333002254566  0.492912548739  -0.001676827603  0.001164833849  -0.002070329567
  9  Al  0.041759446506  6.052803997245  2.025898892804  -0.209732410797  0.002487330575  -0.010639178040  0.000259662159  -0.000606082627  0.000410075376
  10  Al  2.094171667342  3.941230504608  2.041161537033  -0.324809387915  0.236987520829  0.299519609259  0.000076552092  -0.000343218383  0.002328437378
  11  Al  2.040808280520  6.124410290772  0.183196455321  -0.056608444636  -0.173649810820  -0.513280853546  -0.000319230396  0.000680537072  0.003216941346
  12  Al  8.059556235328  4.096383938688  3.949318140847  0.336883516365  -0.329584275350  0.221742491079  0.001188723292  -0.000079267661  -0.001010443015
  13  Al  0.005703685519  6.021344785877  5.959754804556  -0.112373230335  0.044576187909  0.427865927844  -0.000405704596  -0.001156344137  -0.000889317737
  14  Al  1.980263721746  3.967071004888  6.106341171942  0.031448844210  0.177306490447  -0.319251202942  -0.001426151551  -0.002094966627  -0.000926500957
  15  Al  2.125741571265  6.075950251874  3.906397177277  -0.420193372337  -0.219960614811  0.606010777158  0.000026958116  -0.001142371102  -0.001366294665
  16  Al  4.228168750453  0.175087228877  0.027359677772  -0.157864646988  -0.524365515013  0.084659037747  0.003959064492  0.002393789614  0.001815710576
  17  Al  3.886861476452  1.880749280038  2.000627172798  0.385600870621  0.321220413061  0.154112396191  -0.001630744221  -0.002103755322  -0.000136019218
  18  Al  6.173292995067  7.952912001110  1.862511224601  -0.171084183070  0.610365580405  0.454435852873  0.000745294729  -0.001509049457  -0.001965133710
  19  Al  6.102975531544  2.154201803349  7.901228057951  -0.035434938590  -0.625566981272  0.902463867769  -0.000285209158  -0.000084619119  -0.001422628584
  20  Al  4.080375004300  0.152906569823  4.065369573687  -0.232879898605  -0.446383250799  0.132420687704  -0.000556963406  0.001228909037  0.000615050830
  21  Al  4.096941586815  1.990929875260  6.137721967709  -0.098688983567  0.228184791324  -0.065313855022  0.001047354584  0.000418468958  0.001945907984
  22  Al  6.075525796008  0.053145948787  6.114184469454  -0.138959356684  -0.047907690881  0.019502961053  -0.000421135869  0.002097189500  0.001518605309
  23  Al  6.193552422841  2.054041541037  4.036681338008  -0.192639286120  0.010995662790  0.027894454340  0.001601367966  0.000730059210  0.000703888292
  24  Al  4.104898394560  4.017758714636  0.147196192547  -0.037127157553  0.057307666303  -0.698816871812  0.001784189070  -0.000929516154  0.000069523363
  25  Al  4.007181268951  6.240300408789  2.163489358562  0.379549674148  -0.164262497915  -0.500346594235  0.000713910495  0.003056288443  0.001039395209
  26  Al  5.992126380232  4.183752816083  1.927290198386  0.413354637207  -0.446394364554  0.457147299652  -0.000505783909  0.001851038091  -0.000337727789
  27  Al  6.001405633245  6.131839002604  0.116774065943  -0.003964349446  -0.260574888669  -0.910300422830  -0.001831986086  -0.000014736678  -0.001041446786
  28  Al  4.080477647126  4.129266555635  4.153836372642  -0.114881293149  -0.052595034685  -0.168246493762  0.000204312514  0.001856009498  0.001185094379
  29  Al  3.945673313552  6.118796296928  6.289993785055  0.345593160945  -0.061844893357  -0.210876514727  -0.000118329026  0.000651302415  0.003927581556
  30  Al  6.112935503776  3.919403934268  6.096549411304  -0.132176450057  0.768511626875  -0.372958820001  0.000341082145  0.000022475464  -0.000901207367
  31  Al  6.203043541437  6.024890660569  4.009615763222  -0.324044945629  0.213589762139  0.072161587892  0.001479160714  -0.000129617745  -0.001410199491


