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


MDSTEP:  1
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.336957338736  -0.000381561000  0.000091526174
  -0.000381561000  -83.337528203310  -0.001000840616
  0.000091526174  -0.001000840616  -83.333249835698
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.097783711899  8.099355498429  8.098995829026  0.006559393442  -0.000134747753  -0.004163577946  -0.004424485285  -0.001281510676  -0.002001209656
  1  Al  8.098949512342  2.023499414492  2.023008947464  0.006149621560  0.002978260381  -0.000036654998  -0.002092921032  -0.002999028634  -0.003980232220
  2  Al  2.023739017984  8.097951425702  2.023881463966  0.002544604563  0.000068649214  0.004159394708  -0.002519860417  -0.004089637946  -0.002234824094
  3  Al  2.023656185469  2.024375027668  8.099653553723  0.001571091098  -0.001172947725  -0.007780627561  -0.002685612480  -0.001248173396  -0.000686083623
  4  Al  0.000336337686  8.098419542192  4.053209214523  0.004486654339  0.001432916799  -0.009238585624  0.000673076476  -0.003153283002  0.006421355379
  5  Al  0.000288801365  2.024971590016  6.076215903197  -0.000811615120  -0.001504285719  -0.002800984755  0.000577530172  -0.000055078323  0.002437184372
  6  Al  2.024439888309  8.099643054998  6.074529725625  -0.002952271316  0.007076912402  0.002318588182  -0.001118611185  -0.000705752821  -0.000934713085
  7  Al  2.024851389563  2.025447606255  4.051224429264  -0.001496620746  -0.004078774604  0.001048114177  -0.000295478543  0.000896723999  0.002452704486
  8  Al  8.099135220992  4.051937704886  8.097240809218  0.000518988067  -0.005503664213  0.005561924031  -0.001722007107  0.003878670006  -0.005510379820
  9  Al  0.000627404404  6.074739352292  2.024783549288  0.000854277364  0.000388465549  0.002906928318  0.001254885181  -0.000515632303  -0.000430765418
  10  Al  2.026228138038  4.047679525522  2.024658778750  -0.002809936757  0.014439660666  0.004468385676  0.002457900998  -0.004635905805  -0.000680166901
  11  Al  2.025498093770  6.075660677257  0.002251169361  -0.005072829502  0.001598679084  0.004043328092  0.000997610162  0.001327125819  0.004502700193
  12  Al  8.098841373719  4.050725775900  4.048226133056  0.007398093945  0.001227453561  0.007208397199  -0.002309086665  0.001455413790  -0.003543337206
  13  Al  0.000177022426  6.074269230784  6.073124006661  0.001077588116  0.001538145346  0.005383064985  0.000354141187  -0.001455772538  -0.003745877051
  14  Al  2.024669485306  4.049232817319  6.075825824900  -0.004486393490  -0.004439541405  -0.002927325387  -0.000659554339  -0.001531009998  0.001657016483
  15  Al  2.026986480079  6.075309375769  4.047957981300  -0.008682794407  -0.002856136612  -0.001477392303  0.003974060051  0.000624124586  -0.004080417222
  16  Al  4.052321493574  0.002483393775  8.099877083162  -0.002268411884  -0.000749775759  0.005997490626  0.004646536610  0.004966720520  -0.000237792992
  17  Al  4.047206551266  2.022828073610  2.024670162396  0.010333617340  0.003501860982  -0.001035720687  -0.005582221394  -0.004341663588  -0.000657891672
  18  Al  6.076869679113  8.097912229950  2.022514077710  -0.008572935364  -0.000529868937  0.002914064350  0.003744220197  -0.004168082958  -0.004969707936
  19  Al  6.075808520270  2.027431458463  8.096994516862  -0.007555265699  -0.007679005620  0.000566793995  0.001621993489  0.004864106557  -0.006003411093
  20  Al  4.050726688167  0.002650111085  4.050249316654  -0.002925563162  -0.008682758372  -0.001132404034  0.001456867047  0.005299445938  0.000502284328
  21  Al  4.050531097721  2.024245007768  6.075491783194  0.000870577066  0.002241368400  0.005626079518  0.001066025526  -0.001507907960  0.000989697740
  22  Al  6.075017844167  0.000164888402  6.075269237122  0.000841714358  0.007608896866  0.003236198058  0.000041391967  0.000330457033  0.000544391943
  23  Al  6.076926585312  2.025381617860  4.049277221962  -0.005827098021  -0.001394742995  0.008594759396  0.003858278070  0.000764987160  -0.001441035455
  24  Al  4.050454356828  4.049749511471  0.002707355282  0.002984602477  -0.001682015322  -0.008242006109  0.000912732734  -0.000497375173  0.005413973735
  25  Al  4.049112329185  6.077407531511  2.027282080785  0.001238098202  -0.004946095298  -0.005184845621  -0.001771478689  0.004820249230  0.004565574178
  26  Al  6.073746430789  4.051786307971  2.023333693674  -0.000398881270  0.001586945245  0.001821344822  -0.002501545697  0.003576510069  -0.003330573697
  27  Al  6.074031107264  6.076089231556  0.002193314799  0.001934125563  -0.003878498236  -0.004283880121  -0.001931984178  0.002183744762  0.004386246622
  28  Al  4.050513970294  4.051007449770  4.051840695044  -0.001474052531  -0.000903450211  -0.008941344144  0.001031561064  0.002018571029  0.003684342995
  29  Al  4.047864670841  6.075687536624  6.078191135905  0.012038916965  -0.001539109331  -0.007868056609  -0.004265829790  0.001380564037  0.006387196797
  30  Al  6.075573917837  4.047803682413  6.075436845917  -0.000779727671  0.002908322865  0.003701282143  0.001153394351  -0.004388622916  0.000879651110
  31  Al  6.077026659015  6.074090559934  4.049820375133  -0.005287567525  0.003078880749  -0.004442732378  0.004058473709  -0.001812976498  -0.000355894655


MDSTEP:  2
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.326189574437  -0.001401342041  0.000261166581
  -0.001401342041  -83.328143224517  -0.004230240933
  0.000261166581  -0.004230240933  -83.310838761952
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.095571762458  8.098714737068  8.097995038087  0.011471527765  0.000341559942  -0.009523685814  -0.004422873334  -0.001281492187  -0.002002433288
  1  Al  8.097903326712  2.022000033302  2.021018829716  0.011806062781  0.005428934369  0.000068034212  -0.002091315806  -0.002998277037  -0.003980229415
  2  Al  2.022479201519  8.095906609798  2.022764237842  0.005927978605  -0.001620830329  0.009392549092  -0.002519102975  -0.004089776710  -0.002233612560
  3  Al  2.022313449456  2.023750888540  8.099310164121  0.004091021654  -0.002942016882  -0.017267284811  -0.002685106292  -0.001248541271  -0.000688322888
  4  Al  0.000673076476  8.096842964742  4.056419479250  0.009338803175  0.001654323517  -0.017372633307  0.000674312462  -0.003153007005  0.006418976355
  5  Al  0.000577530172  2.024943983613  6.077434370180  -0.002655855804  -0.002963292003  -0.005572482889  0.000577220183  -0.000055477721  0.002436435790
  6  Al  2.023880450751  8.099290494923  6.074062472722  -0.005791607440  0.015642407983  0.003399594817  -0.001119392882  -0.000703721730  -0.000934201884
  7  Al  2.024703583393  2.025895785934  4.052450828358  -0.002326323544  -0.007945143619  0.003810460059  -0.000295820312  0.000895649069  0.002453138839
  8  Al  8.098274240637  4.053876793877  8.094485867924  -0.000704797405  -0.010674601695  0.009837817253  -0.001722023718  0.003877223680  -0.005509003094
  9  Al  0.001254885181  6.074481553505  2.024568296518  0.001820880441  0.000790586993  0.007377237210  0.001255124338  -0.000515526896  -0.000429846021
  10  Al  2.027456962934  4.045362218067  2.024318895035  -0.004353490055  0.029878832266  0.010196842926  0.002457260593  -0.004631943763  -0.000678855840
  11  Al  2.025996672098  6.076324311626  0.004502700193  -0.009632994864  0.003876024989  0.010868758342  0.000996295472  0.001327615253  0.004504033323
  12  Al  8.097687161079  4.051453537662  4.046454786666  0.014893974043  0.003182583731  0.015013411772  -0.002307093770  0.001455808045  -0.003541350592
  13  Al  0.000354141187  6.073541413270  6.071251308757  0.000964296366  0.002717406583  0.008663972303  0.000354323730  -0.001455392095  -0.003744621256
  14  Al  2.024339507596  4.048467113874  6.076654202291  -0.009170373549  -0.011280314697  -0.007814456945  -0.000660775245  -0.001532415342  0.001656056175
  15  Al  2.028973121987  6.075621310394  4.045917706650  -0.016946816802  -0.005439602982  -0.004937145765  0.003971768782  0.000623382953  -0.004080990677
  16  Al  4.054644660482  0.004966720520  8.099758454752  -0.003399393621  0.000161263402  0.012794581885  0.004646029913  0.004966667907  -0.000236112994
  17  Al  4.044415902478  2.020657398348  2.024341170264  0.020071084714  0.006362398258  -0.002096019999  -0.005579503235  -0.004340781730  -0.000658171647
  18  Al  6.078741406004  8.095828164786  2.020029354000  -0.017861269081  -0.003005144304  0.005292581095  0.003741856998  -0.004168398985  -0.004968974267
  19  Al  6.076619179296  2.029863168493  8.093992836651  -0.015428329649  -0.014847354989  -0.001489336934  0.001619938772  0.004862092717  -0.006003493567
  20  Al  4.051454990919  0.005299445938  4.050500408199  -0.006272971104  -0.017073665255  -0.002895945415  0.001456044705  0.005297143333  0.000501924196
  21  Al  4.051064149398  2.023491153976  6.075986883548  0.002356560199  0.004606555646  0.011050736756  0.001066314030  -0.001507295760  0.000991188636
  22  Al  6.075038577774  0.000330457033  6.075541577751  0.002281812045  0.017131250567  0.006619981510  0.000041671208  0.000332668784  0.000545273078
  23  Al  6.078855463878  2.025764049095  4.048557088417  -0.011796207078  -0.002289649200  0.019417802897  0.003856702559  0.000764657778  -0.001438531152
  24  Al  4.050910856606  4.049500748698  0.005413973735  0.007476864022  -0.004773400499  -0.014954768320  0.000913667982  -0.000497952283  0.005411899960
  25  Al  4.048226645183  6.079817435037  2.029564636114  0.002462293288  -0.009041583533  -0.008916875811  -0.001771147877  0.004818998741  0.004564313494
  26  Al  6.072495640110  4.053574633941  2.021668488239  -0.002252522505  0.004939276366  0.003572258710  -0.002501782731  0.003577093509  -0.003330091513
  27  Al  6.073065201629  6.077180930569  0.004386246622  0.003381259214  -0.007704685196  -0.007092478394  -0.001931508987  0.002182709233  0.004385229583
  28  Al  4.051029684936  4.052016694901  4.053682466866  -0.002844951712  -0.001875918205  -0.017774262154  0.001031174948  0.002018322556  0.003681954639
  29  Al  4.045732294082  6.076377749844  6.081384382605  0.024159281244  -0.002665479566  -0.016397698979  -0.004262593697  0.001380188149  0.006385027456
  30  Al  6.076150580159  4.045609500956  6.075876836918  -0.000916310449  0.003478208991  0.007012000156  0.001153242726  -0.004388051965  0.000880608870
  31  Al  6.079055659517  6.073184209310  4.049642229217  -0.010149484894  0.005951069349  -0.010283545457  0.004057093648  -0.001812169227  -0.000357211173


MDSTEP:  3
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.307605643421  -0.002449263386  0.000291696346
  -0.002449263386  -83.312353658608  -0.009845969648
  0.000291696346  -0.009845969648  -83.273705709826
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.093360838565  8.098074006241  8.096993395738  0.017907184745  0.000790891523  -0.012799922311  -0.004420246898  -0.001281390947  -0.002004429002
  1  Al  8.096858196535  2.020501137454  2.019028718049  0.019034481470  0.011270263365  0.000942715397  -0.002088558684  -0.002996784141  -0.003980139055
  2  Al  2.021219915010  8.093861648992  2.021647851406  0.008159471649  -0.002589586490  0.015996705637  -0.002517843567  -0.004090153118  -0.002231342779
  3  Al  2.020971079177  2.023126486398  8.098965230835  0.004729154121  -0.001258669408  -0.024146722566  -0.002684317774  -0.001248916809  -0.000692025271
  4  Al  0.001010650148  8.095266535187  4.059628190877  0.015602843927  0.002148682673  -0.027139078652  0.000676542227  -0.003152667019  0.006414997040
  5  Al  0.000866021547  2.024916112295  6.078652338987  -0.002905135157  -0.001846820161  -0.009804964539  0.000576723034  -0.000055907741  0.002435061057
  6  Al  2.023320495427  8.098939333268  6.073595523741  -0.010079859975  0.024199821048  0.002884592538  -0.001120811779  -0.000700159863  -0.000933640082
  7  Al  2.024555569251  2.026343255324  4.053677568103  -0.004027165762  -0.009465199418  0.004489689250  -0.000296388309  0.000894092597  0.002453880866
  8  Al  8.097413197274  4.055814928567  8.091731806123  0.000250743418  -0.016586615331  0.016085246476  -0.001722064310  0.003874786547  -0.005506685591
  9  Al  0.001882528742  6.074223825396  2.024353703267  0.003475791606  -0.001702645604  0.013010927559  0.001255597856  -0.000515608434  -0.000428023334
  10  Al  2.028685398631  4.043047581759  2.023979922910  -0.007208155266  0.044709181373  0.017050933481  0.002456226990  -0.004625275648  -0.000676419908
  11  Al  2.026494389242  6.076988292510  0.006755202684  -0.015398223100  0.002562137810  0.018389146866  0.000994057699  0.001328190820  0.004506648958
  12  Al  8.096534279949  4.052181583945  4.044684782465  0.022919479719  0.004932816195  0.020783101844  -0.002303713274  0.001456533555  -0.003538150409
  13  Al  0.000531346155  6.072813838690  6.069379385406  0.002592092618  0.001319941072  0.010913128024  0.000354641668  -0.001455031159  -0.003742871077
  14  Al  2.024008710062  4.047700401977  6.077481881075  -0.014955029230  -0.017363150619  -0.013027818115  -0.000662932038  -0.001534976047  0.001654192891
  15  Al  2.030958248862  6.075932758722  4.043876990622  -0.026549696948  -0.010635063889  -0.009606769249  0.003967880225  0.000621945889  -0.004082290893
  16  Al  4.056967523487  0.007450061682  8.099640970168  -0.005020213050  0.000522074273  0.021074149265  0.004645277206  0.004966728997  -0.000233085154
  17  Al  4.041627048031  2.018487291880  2.024011990750  0.028523170274  0.012482346692  -0.001941000225  -0.005575158944  -0.004339097024  -0.000658532554
  18  Al  6.080611536111  8.093743830964  2.017545103443  -0.025988434275  -0.004927842659  0.008703312522  0.003737936866  -0.004169108189  -0.004967723045
  19  Al  6.077428459041  2.032293551180  8.090991023295  -0.022510411054  -0.019876659058  -0.001097727648  0.001616547076  0.004858988415  -0.006003724849
  20  Al  4.052182732872  0.007947254418  4.050751240850  -0.011373867863  -0.024975750425  -0.006168496665  0.001454467090  0.005293384145  0.000501113841
  21  Al  4.051597411751  2.022737712008  6.076482971830  0.003078182707  0.009718839421  0.015093468280  0.001066799892  -0.001506015080  0.000993525909
  22  Al  6.075059515374  0.000497557186  6.075814510200  0.004458772805  0.026839840848  0.008996514510  0.000042273811  0.000336599768  0.000546669182
  23  Al  6.080783287871  2.026146275638  4.047838690809  -0.016809524346  -0.000155626733  0.028192101465  0.003854145227  0.000764439172  -0.001434274861
  24  Al  4.051368024810  4.049251559188  0.008119255242  0.010156684335  -0.007647345627  -0.020600247517  0.000915244408  -0.000499062689  0.005408721367
  25  Al  4.047341181308  6.082226530252  2.031846394279  0.002734442794  -0.016380093552  -0.011798954304  -0.001770683292  0.004816726062  0.004562461514
  26  Al  6.071244648058  4.055363401479  2.020003602161  -0.002399149871  0.007875275499  0.007288523699  -0.002502198587  0.003578239120  -0.003329120567
  27  Al  6.072099598277  6.078271940789  0.006578544382  0.005686813967  -0.013802017204  -0.008278271556  -0.001930698308  0.002180786550  0.004383855449
  28  Al  4.051545145242  4.053025772326  4.055522649683  -0.005184875491  -0.002840683683  -0.028429655247  0.001030457088  0.002017900895  0.003677824042
  29  Al  4.043602077144  6.077067724773  6.084576163361  0.034737651337  -0.007001241933  -0.025439911712  -0.004257328354  0.001379323951  0.006381287203
  30  Al  6.076727160563  4.043415630448  6.076317454786  -0.000265903069  0.004296625800  0.008400809543  0.001153137037  -0.004387356900  0.000881986764
  31  Al  6.081083752662  6.072278390707  4.049463163960  -0.013371317036  0.005386274201  -0.018015526051  0.004054990905  -0.001811155676  -0.000359741090


MDSTEP:  4
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.281666250682  -0.004258689622  0.000500109045
  -0.004258689622  -83.289834349049  -0.017565819710
  0.000500109045  -0.017565819710  -83.220986281567
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.091151515560  8.097433346121  8.095990609085  0.023534723189  0.001266701989  -0.018116307260  -0.004416542021  -0.001281207000  -0.002007192891
  1  Al  8.095814768028  2.019003249161  2.017038690661  0.024749885035  0.013659388989  0.000085858560  -0.002084644393  -0.002994555448  -0.003980047101
  2  Al  2.019961357952  8.091816456680  2.020532895063  0.011846635523  -0.003324210005  0.020062315912  -0.002516055035  -0.004090681807  -0.002228119128
  3  Al  2.019629131681  2.022501971731  8.098618138850  0.007003299256  -0.003341421410  -0.033295054300  -0.002683268901  -0.001249328054  -0.000697160524
  4  Al  0.001349618704  8.093690297723  4.062834476290  0.020176939507  0.002700786920  -0.035186005054  0.000679740914  -0.003152233480  0.006409425222
  5  Al  0.001154253206  2.024888075872  6.079869431237  -0.004255354435  -0.004029151734  -0.011959823520  0.000576082891  -0.000056433049  0.002433115301
  6  Al  2.022759638971  8.098590335060  6.073128832640  -0.012677594987  0.032781248140  0.005217680712  -0.001122846280  -0.000695065797  -0.000932915745
  7  Al  2.024407195084  2.026789878531  4.054904709224  -0.004484161517  -0.013785350501  0.007184907103  -0.000297149216  0.000892014014  0.002454924567
  8  Al  8.096552176327  4.057751580424  8.088979182332  -0.000536836437  -0.022284166756  0.020416115305  -0.001722089887  0.003871311527  -0.005503422396
  9  Al  0.002510483037  6.073965945072  2.024140273184  0.003868907630  -0.000826626319  0.016272878763  0.001256254467  -0.000515834549  -0.000425405383
  10  Al  2.029913189924  4.040736942419  2.023642475127  -0.008626097977  0.059672816852  0.022021650623  0.002454811419  -0.004615943973  -0.000672926847
  11  Al  2.026990729797  6.077652502447  0.009009349151  -0.019680954287  0.004924774766  0.023928702835  0.000990921646  0.001328860145  0.004510432144
  12  Al  8.095383447805  4.052910071218  4.042916636257  0.030214704581  0.006370046776  0.028664148237  -0.002298963116  0.001457544023  -0.003533729861
  13  Al  0.000708782855  6.072086382111  6.067508437680  0.002537987157  0.003216207724  0.015369778768  0.000355100294  -0.001454625630  -0.003740521404
  14  Al  2.023676575558  4.046932137827  6.078308395181  -0.019178753757  -0.023712545720  -0.016666333058  -0.000665983574  -0.001538648184  0.001651538255
  15  Al  2.032941002212  6.076243256283  4.041835415757  -0.034572429840  -0.012924927160  -0.011999497060  0.003962415951  0.000619839643  -0.004084222477
  16  Al  4.059289937688  0.009933449517  8.099525369598  -0.006010975385  0.000824547610  0.027230662373  0.004644291025  0.004966849384  -0.000228766739
  17  Al  4.038840743534  2.016318301325  2.023682637711  0.038432823656  0.015207420850  -0.003800982002  -0.005569173126  -0.004336621578  -0.000659045883
  18  Al  6.082479342870  8.091659056597  2.015061630956  -0.035682512081  -0.006623793038  0.010798771363  0.003732423528  -0.004170140897  -0.004965979572
  19  Al  6.078235726372  2.034722156908  8.087989111802  -0.030962504596  -0.027981831771  -0.002465577094  0.001611766635  0.004854709900  -0.006004043406
  20  Al  4.052909458009  0.010592830083  4.051001522041  -0.014491599339  -0.033359354547  -0.007469988465  0.001452154736  0.005288169029  0.000499894571
  21  Al  4.052130949291  2.021985138896  6.076980409457  0.004921574356  0.011627164955  0.021413006966  0.001067515065  -0.001504106763  0.000996789561
  22  Al  6.075080851586  0.000667056802  6.076088246932  0.004948191171  0.036158784600  0.013049902652  0.000043114787  0.000342231800  0.000548640116
  23  Al  6.082709609105  2.026528488267  4.047122813556  -0.023347719529  -0.001702831099  0.038762003586  0.003850555199  0.000764273027  -0.001428289212
  24  Al  4.051826101014  4.049001686010  0.010822695102  0.014497085214  -0.010551295136  -0.028412575657  0.000917448438  -0.000500689634  0.005404339656
  25  Al  4.046455961890  6.084634161099  2.034127097627  0.004406097442  -0.020364143009  -0.016785272855  -0.001770044933  0.004813441153  0.004559906104
  26  Al  6.069993441523  4.057152873062  2.018339367672  -0.003990912443  0.010600294190  0.008711002697  -0.002502769854  0.003579890823  -0.003327690221
  27  Al  6.071134503322  6.079361717119  0.008770102071  0.006589155903  -0.017090576213  -0.011913909020  -0.001929600845  0.002178024774  0.004382050283
  28  Al  4.052060142024  4.054034595796  4.057360290908  -0.006455109898  -0.003512422729  -0.036858805595  0.001029416481  0.002017332932  0.003671987300
  29  Al  4.041474965727  6.077757073796  6.087765669808  0.046961201400  -0.007828807820  -0.032710921081  -0.004250024535  0.001377998156  0.006376088561
  30  Al  6.077303717196  4.041222144055  6.076758823681  -0.001180406662  0.005431674435  0.011940701502  0.001153007738  -0.004386487197  0.000883805280
  31  Al  6.083110650422  6.071373053634  4.049282488128  -0.018555287854  0.008801596173  -0.023489035939  0.004052136689  -0.001809887291  -0.000363451568


MDSTEP:  5
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.248712131789  -0.006496157427  0.000809880251
  -0.006496157427  -83.261273848676  -0.027458739030
  0.000809880251  -0.027458739030  -83.153427208849
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.088944296543  8.096792799242  8.094986202847  0.029917495982  0.001605963999  -0.022826825375  -0.004411763431  -0.001280950185  -0.002010853178
  1  Al  8.094773552142  2.017506582006  2.015048670949  0.031080886799  0.017703425710  0.001151552538  -0.002079653162  -0.002991751635  -0.003979936477
  2  Al  2.018703859975  8.089770967185  2.019419732278  0.013919226587  -0.003693726938  0.025845990829  -0.002513751585  -0.004091309206  -0.002224014959
  3  Al  2.018287810276  2.021877158344  8.098268070311  0.007868383717  -0.003638224472  -0.041463155496  -0.002681939384  -0.001249952029  -0.000703843855
  4  Al  0.001690391063  8.092114301708  4.066037616100  0.025415090193  0.003454437843  -0.043998563438  0.000683816809  -0.003151683207  0.006402346179
  5  Al  0.001442104439  2.024859679246  6.081085454288  -0.004937308035  -0.004796733488  -0.016060005386  0.000575261074  -0.000057222077  0.002430610348
  6  Al  2.022197649148  8.098244267472  6.072662607996  -0.016528210124  0.040642227062  0.005882877509  -0.001125457258  -0.000688501791  -0.000931923363
  7  Al  2.024258420035  2.027235269338  4.056132492670  -0.006396103617  -0.016574547253  0.009008969595  -0.000298121903  0.000889299861  0.002456372288
  8  Al  8.095691107387  4.059686240094  8.086228383727  -0.000385911350  -0.027751852381  0.025584164071  -0.001722172380  0.003866838343  -0.005499310004
  9  Al  0.003138783209  6.073707990847  2.023928297884  0.004846628077  -0.001632016850  0.021182400665  0.001257033630  -0.000516054350  -0.000422056908
  10  Al  2.031140210051  4.038431637786  2.023306996063  -0.011760002124  0.074243112465  0.028587534873  0.002452988917  -0.004603971985  -0.000668402423
  11  Al  2.027485310888  6.078317152655  0.011265634827  -0.025201495992  0.005475567320  0.029292773474  0.000986909187  0.001329789928  0.004515190105
  12  Al  8.094235316833  4.053639127968  4.041151052604  0.038108543222  0.007608775754  0.035731995905  -0.002292855067  0.001458793720  -0.003527972892
  13  Al  0.000886446449  6.071359213059  6.065638864002  0.003325714586  0.003593566460  0.018260880793  0.000355624505  -0.001454016841  -0.003737514847
  14  Al  2.023342726488  4.046161753793  6.079133419330  -0.024445191401  -0.029325688277  -0.021855370139  -0.000669883523  -0.001543389764  0.001648094443
  15  Al  2.034920664813  6.076552598365  4.039792768145  -0.044031425264  -0.016753579710  -0.014186257835  0.003955388823  0.000617186406  -0.004086563465
  16  Al  4.061611814512  0.012416911066  8.099412203430  -0.007627446323  0.000799933403  0.033828534225  0.004643071760  0.004966994612  -0.000223308090
  17  Al  4.036057874904  2.014150670302  2.023352944867  0.047797181967  0.019726720685  -0.003719156177  -0.005561464226  -0.004333498491  -0.000659718178
  18  Al  6.084343959639  8.089573690068  2.012579123871  -0.043836960041  -0.007894999406  0.014798355462  0.003725314544  -0.004171438866  -0.004963691208
  19  Al  6.079040225677  2.037148261080  8.084986979889  -0.037807322929  -0.034737587203  -0.002595893317  0.001605618662  0.004849102829  -0.006004495898
  20  Al  4.053634887608  0.013235423447  4.051251135420  -0.018286459298  -0.041701995561  -0.009166961764  0.001449224401  0.005281458598  0.000498407239
  21  Al  4.052664926816  2.021233605245  6.077479761391  0.005933256716  0.015097333459  0.025749872586  0.001068485479  -0.001501717612  0.001001005889
  22  Al  6.075102630161  0.000839788986  6.076363150316  0.006821669314  0.045053469509  0.015218773638  0.000044167004  0.000349492117  0.000551167315
  23  Al  6.084633843070  2.026910548665  4.046410401597  -0.028465735620  -0.001692656702  0.048140380213  0.003845923113  0.000763969473  -0.001420520202
  24  Al  4.052285473248  4.048750869554  0.013523594898  0.017750534934  -0.013235207902  -0.035821252355  0.000920331352  -0.000502816130  0.005398597198
  25  Al  4.045571136374  6.087039971406  2.036406300384  0.005546389512  -0.025908414967  -0.020362241833  -0.001769155188  0.004809304420  0.004556585143
  26  Al  6.068741878204  4.058943292302  2.016675911940  -0.003992081653  0.012826930305  0.012223031164  -0.002503483528  0.003581985200  -0.003325818733
  27  Al  6.070169997433  6.080449965563  0.010960594665  0.008841021261  -0.021878873280  -0.015407001336  -0.001928221398  0.002174540933  0.004379607813
  28  Al  4.052574561724  4.055043105258  4.059194636983  -0.008278699529  -0.004266591789  -0.045733357163  0.001028099289  0.002016637493  0.003664603620
  29  Al  4.039352052608  6.078445722929  6.090952251922  0.057978148211  -0.010275171714  -0.041400653261  -0.004240643033  0.001376379673  0.006369463039
  30  Al  6.077880168302  4.039029143250  6.077201260066  -0.000799815170  0.007226267169  0.013361019878  0.001152830708  -0.004385355586  0.000886067236
  31  Al  6.085135889352  6.070468503417  4.049099712392  -0.022370002609  0.010700136751  -0.029252412540  0.004048477998  -0.001808143850  -0.000368166615


MDSTEP:  6
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.208747270914  -0.009373331459  0.001016917282
  -0.009373331459  -83.226217030501  -0.039379279460
  0.001016917282  -0.039379279460  -83.070846094892
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.086739752129  8.096152395935  8.093979755908  0.034143844903  0.002090832295  -0.029039335090  -0.004406036394  -0.001280619694  -0.002015489975
  1  Al  8.093735114866  2.016011497526  2.013058754184  0.035132781900  0.019156849266  -0.000641777439  -0.002073733708  -0.002988456353  -0.003979890904
  2  Al  2.017447606366  8.087725147474  2.018308880105  0.018775420660  -0.004247277242  0.028970228756  -0.002510828708  -0.004092019126  -0.002219114428
  3  Al  2.016947192298  2.021252019702  8.097914294995  0.011331254159  -0.006514051335  -0.051406333558  -0.002680222950  -0.001250859635  -0.000712146320
  4  Al  0.002033435513  8.090538614516  4.069236822469  0.028564056035  0.004029948761  -0.051289346128  0.000688642506  -0.003151014108  0.006393827508
  5  Al  0.001729514280  2.024830853795  6.082300041585  -0.007685273047  -0.008089654430  -0.017387619262  0.000574132624  -0.000058374111  0.002427620155
  6  Al  2.021634181714  8.097901833269  6.072196909277  -0.017823993464  0.049194211973  0.009303687099  -0.001128528320  -0.000680470478  -0.000930565695
  7  Al  2.024109073180  2.027679178393  4.057361081512  -0.005555036595  -0.021880351549  0.012766336895  -0.000299190327  0.000885862021  0.002458318984
  8  Al  8.094830003947  4.061618418767  8.083479872328  -0.002540808219  -0.033193630756  0.029190837436  -0.001722434026  0.003861389861  -0.005494413158
  9  Al  0.003767516667  6.073449890722  2.023718216276  0.003739090816  0.000020103777  0.023478883237  0.001257801187  -0.000516198453  -0.000418064221
  10  Al  2.032366178841  4.036132970434  2.022974072704  -0.012318387631  0.089203481230  0.032577681401  0.002450836326  -0.004589359977  -0.000662934296
  11  Al  2.027977638983  6.078982292375  0.013524539256  -0.028170400564  0.008467093236  0.033785028011  0.000982137778  0.001331036392  0.004520829215
  12  Al  8.093090592737  4.054368864938  4.039388663365  0.043835137074  0.008998111996  0.044413843812  -0.002285529361  0.001460278364  -0.003520807911
  13  Al  0.001064407360  6.070632365270  6.063770922833  0.001320998801  0.006414789887  0.023695944171  0.000356039917  -0.001453122102  -0.003733763937
  14  Al  2.023006692035  4.045388748063  6.079956489624  -0.027095914080  -0.035733319642  -0.024542480763  -0.000674491261  -0.001549205993  0.001643946508
  15  Al  2.036896391036  6.076860442689  4.037748852292  -0.050829788309  -0.017982109919  -0.015563851545  0.003946908299  0.000614081060  -0.004089223103
  16  Al  4.063933009448  0.014900444129  8.099302061508  -0.007143781909  0.000760973720  0.039247101285  0.004641751223  0.004967134156  -0.000216775181
  17  Al  4.033279279308  2.011984802833  2.023022919533  0.059202591025  0.021423101065  -0.006529817842  -0.005551898523  -0.004329819727  -0.000660634429
  18  Al  6.086204657415  8.087487617731  2.010097939748  -0.054839516581  -0.009449517112  0.016247827230  0.003716492938  -0.004172989454  -0.004960915701
  19  Al  6.079841345034  2.039571259737  8.081984615904  -0.047137764829  -0.044019468958  -0.004279033143  0.001598024633  0.004842062005  -0.006005110511
  20  Al  4.054358682411  0.015874288681  4.051499929280  -0.020083438163  -0.050345897027  -0.009807406179  0.001445794160  0.005273229583  0.000496710944
  21  Al  4.053199434770  2.020483421284  6.077981415346  0.008919778972  0.016406053126  0.032867825330  0.001069813330  -0.001498901232  0.001006246269
  22  Al  6.075125018590  0.001016548919  6.076639414247  0.006280421504  0.053983128639  0.020074473158  0.000045338321  0.000358345918  0.000554322506
  23  Al  6.086555532218  2.027292457740  4.045702293354  -0.036139569433  -0.004042675207  0.059337281304  0.003840147445  0.000763456738  -0.001410911776
  24  Al  4.052746432366  4.048498869880  0.016221292300  0.023257520182  -0.016182533640  -0.044825508234  0.000923997442  -0.000505446055  0.005391387436
  25  Al  4.044686806702  6.089443465519  2.038683682770  0.008958644941  -0.028606514337  -0.026383577299  -0.001767858449  0.004804430824  0.004552406101
  26  Al  6.067489957995  4.060734858262  2.015013548939  -0.006468686588  0.015368561286  0.013062487434  -0.002504418713  0.003584505857  -0.003323558226
  27  Al  6.069206281924  6.081536258052  0.013149709884  0.008463702918  -0.024189610909  -0.020321583059  -0.001926674368  0.002170422444  0.004376413703
  28  Al  4.053088241313  4.056051233289  4.061024894528  -0.007925343596  -0.004722199230  -0.052858685468  0.001026650660  0.002015833902  0.003655789563
  29  Al  4.037234322694  6.079133453468  6.094135132847  0.071537721194  -0.010250014647  -0.047492228745  -0.004229064408  0.001374544736  0.006361516080
  30  Al  6.078456547904  4.036836788469  6.077644890917  -0.002909208427  0.008823407140  0.017160833414  0.001152499124  -0.004383920757  0.000888795868
  31  Al  6.087159128419  6.069564909784  4.048914321512  -0.028796053652  0.015108178543  -0.033811716220  0.004043903789  -0.001805836605  -0.000373804503


MDSTEP:  7
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.161897941881  -0.012594524246  0.001506215013
  -0.012594524246  -83.184933664003  -0.053659492747
  0.001506215013  -0.053659492747  -82.972938882377
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.084538260149  8.095512179547  8.092970712872  0.042386003836  0.002247294310  -0.032955758830  -0.004399194680  -0.001280231869  -0.002021032292
  1  Al  8.092699818434  2.014518125653  2.011068780045  0.043406531010  0.024071052671  0.001157972327  -0.002066712350  -0.002984591810  -0.003979844756
  2  Al  2.016193031267  8.085678948059  2.017200617850  0.019656231395  -0.004839749932  0.035464115765  -0.002507392946  -0.004092831500  -0.002213354044
  3  Al  2.015607587326  2.020626298708  8.097555923991  0.010600643908  -0.005945478902  -0.058863421945  -0.002678262254  -0.001251973508  -0.000722004357
  4  Al  0.002379033569  8.088963287599  4.072431443608  0.035593334257  0.004304360853  -0.060803729362  0.000694378130  -0.003150269027  0.006383806468
  5  Al  0.002016237063  2.024801305135  6.083513074442  -0.006394590751  -0.008039429164  -0.022238154315  0.000572873895  -0.000059816039  0.002424077639
  6  Al  2.021069120828  8.097563796994  6.071732042301  -0.022822180040  0.056992346253  0.009077131822  -0.001132162058  -0.000670977476  -0.000928922463
  7  Al  2.023959229709  2.028121131359  4.058590811655  -0.008611554242  -0.023850788704  0.014052466675  -0.000300456810  0.000881773690  0.002460716566
  8  Al  8.093968673360  4.063547629954  8.080733970569  -0.000512223868  -0.038453122211  0.034693818935  -0.001722706965  0.003854984693  -0.005488701916
  9  Al  0.004396584396  6.073191792394  2.023510233663  0.006259078874  -0.001493065794  0.029228525816  0.001258695016  -0.000516330135  -0.000413352217
  10  Al  2.033591046377  4.033842277809  2.022644061767  -0.016672324068  0.104117396957  0.040092345984  0.002448244577  -0.004572077230  -0.000656437648
  11  Al  2.028467448666  6.079648189046  0.015786464043  -0.034802234675  0.007900241762  0.040026714598  0.000976508069  0.001332499620  0.004527427932
  12  Al  8.091949787472  4.055099406332  4.037630244693  0.053399010289  0.010406723960  0.050817527817  -0.002276836698  0.001462013142  -0.003512294295
  13  Al  0.001242486366  6.069906090958  6.061905100065  0.003530759692  0.005774291900  0.025569414559  0.000356473661  -0.001452032406  -0.003729359650
  14  Al  2.022668235227  4.044612547800  6.080777365838  -0.033671846284  -0.041199924490  -0.030477837019  -0.000679923855  -0.001556083770  0.001639027731
  15  Al  2.038867573112  6.077166679425  4.035703545042  -0.061485989744  -0.022561447314  -0.018392725610  0.003936867349  0.000610456495  -0.004092258797
  16  Al  4.066253565735  0.017384045222  8.099195428248  -0.010235336863  0.000231850246  0.046681770114  0.004640197542  0.004967222913  -0.000209093202
  17  Al  4.030505976381  2.009820850575  2.022692310438  0.066510077599  0.026700835085  -0.005628334628  -0.005540659901  -0.004325517481  -0.000661721359
  18  Al  6.088060452577  8.085400700614  2.007618208169  -0.061836143925  -0.011245982023  0.021242263183  0.003706062218  -0.004174839616  -0.004957564114
  19  Al  6.080638250309  2.041990323085  8.078981869377  -0.052722825762  -0.050127277442  -0.003841894716  0.001589097168  0.004833645354  -0.006005836516
  20  Al  4.055080681768  0.018508653029  4.051747846365  -0.025828691907  -0.058998276393  -0.012269484157  0.001441689649  0.005263454292  0.000494737286
  21  Al  4.053734740145  2.019734704013  6.078486007660  0.008391880194  0.020894030846  0.036347363324  0.001071360979  -0.001495566631  0.001012434057
  22  Al  6.075147968483  0.001198134904  6.076917472822  0.009256687142  0.062713854050  0.021482857319  0.000046727328  0.000368778544  0.000558037701
  23  Al  6.088473990515  2.027674005403  4.044999489821  -0.040075486144  -0.003104890048  0.068237440913  0.003833333874  0.000762817751  -0.001399506688
  24  Al  4.053209470690  4.048245423498  0.018914982334  0.024849312801  -0.018596765967  -0.051804836799  0.000928298158  -0.000508555300  0.005382748752
  25  Al  4.043803277926  6.091844402230  2.040958706484  0.008475631193  -0.034900846678  -0.029280658864  -0.001766299837  0.004798753312  0.004547429758
  26  Al  6.066237459491  4.062527798159  2.013352353714  -0.005164422994  0.018161463318  0.017830831833  -0.002505458705  0.003587503417  -0.003320796386
  27  Al  6.068243323065  6.082620388007  0.015337008368  0.011684929307  -0.029749927428  -0.023177700007  -0.001924873095  0.002165600288  0.004372524899
  28  Al  4.053601212383  4.057058939160  4.062850426545  -0.011370548947  -0.004895477898  -0.062253621527  0.001024925621  0.002014974089  0.003645498605
  29  Al  4.035122988201  6.079820267664  6.097313768002  0.080646495027  -0.013570760382  -0.056705600961  -0.004215459248  0.001372415176  0.006352200869
  30  Al  6.079032667426  4.034645222493  6.078090055934  -0.001302990639  0.010930532795  0.017278515415  0.001152122556  -0.004382154769  0.000891874721
  31  Al  6.089179793141  6.068662666811  4.048725907889  -0.031137215669  0.016126935762  -0.040587317656  0.004038545798  -0.001803044208  -0.000380455723


MDSTEP:  8
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.107579765936  -0.016227470894  0.001728107989
  -0.016227470894  -83.137139609315  -0.070024536824
  0.001728107989  -0.070024536824  -82.860214132286
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.082340557448  8.094872164066  8.091958723616  0.047340092181  0.003013172357  -0.037767303095  -0.004391173232  -0.001279761587  -0.002027354883
  1  Al  8.091668402516  2.013026905716  2.009078909428  0.048261301313  0.026917024689  0.000152341137  -0.002058517312  -0.002980033512  -0.003979727615
  2  Al  2.014940213421  8.083632315974  2.016095526061  0.023244451079  -0.004636762904  0.039156938911  -0.002503557655  -0.004093678693  -0.002206682975
  3  Al  2.014268930044  2.020000046193  8.097192290638  0.012677735332  -0.007601352885  -0.067053282784  -0.002676181184  -0.001253184585  -0.000733261220
  4  Al  0.002727813643  8.087388345489  4.075620628937  0.039312999792  0.005059814980  -0.069462647420  0.000701074703  -0.003149431876  0.006372160748
  5  Al  0.002302388175  2.024771037756  6.084724119224  -0.008325707120  -0.010335940620  -0.024343333872  0.000571557911  -0.000061458784  0.002419913288
  6  Al  2.020502019655  8.097230855793  6.071267986815  -0.025033470681  0.065367199192  0.011893401573  -0.001136440319  -0.000660038621  -0.000927047712
  7  Al  2.023808616370  2.028560952083  4.059821798078  -0.008935503665  -0.027788536559  0.016199776319  -0.000302025504  0.000877157172  0.002463421095
  8  Al  8.093107296982  4.065473403460  8.077991170413  -0.001847153353  -0.044122442193  0.039622114696  -0.001722917892  0.003847602496  -0.005482058125
  9  Al  0.005026211683  6.072933560587  2.023304864059  0.005406955358  -0.001011715481  0.032196733590  0.001259737951  -0.000516554061  -0.000407860843
  10  Al  2.034814423419  4.031560893204  2.022317635056  -0.018582377651  0.118248282843  0.045027147108  0.002445092832  -0.004552197898  -0.000648828027
  11  Al  2.028954147053  6.080314791994  0.018051967188  -0.038717750747  0.009529468834  0.045173158850  0.000969935436  0.001334057823  0.004535044739
  12  Al  8.090813756039  4.055830878080  4.035876369070  0.059883865078  0.011275283607  0.057877499029  -0.002266709291  0.001463951498  -0.003502577038
  13  Al  0.001420881021  6.069180332863  6.060041563184  0.002299613672  0.007350911793  0.030174318116  0.000356994892  -0.001450859023  -0.003724376200
  14  Al  2.022326768180  4.043832664293  6.081595517355  -0.037437932358  -0.047283418794  -0.033880375481  -0.000686281018  -0.001563994117  0.001633274153
  15  Al  2.040833258385  6.077470899184  4.033656593495  -0.069439046488  -0.025092625632  -0.020301525450  0.003925162745  0.000606196256  -0.004095718035
  16  Al  4.068573206991  0.019867667042  8.099092968306  -0.010139717233  0.000251727920  0.053240040333  0.004638376027  0.004967266145  -0.000200160264
  17  Al  4.027738619407  2.007659285352  2.022361198175  0.077053475183  0.029719881574  -0.007680477307  -0.005527825423  -0.004320473510  -0.000662911157
  18  Al  6.089910719633  8.083312778115  2.005140375634  -0.071608664357  -0.012354251032  0.023554187119  0.003694132348  -0.004176949460  -0.004953559344
  19  Al  6.081430442202  2.044404905091  8.075978779388  -0.060958403311  -0.058566299901  -0.003754697122  0.001578934148  0.004823928226  -0.006006515646
  20  Al  4.055800372059  0.021137742974  4.051994666567  -0.028274108585  -0.067268735272  -0.014056441041  0.001436852897  0.005252166112  0.000492383768
  21  Al  4.054270795749  2.018987854653  6.078993849403  0.010941990547  0.023228633847  0.042703436207  0.001073089414  -0.001491622097  0.001019501142
  22  Al  6.075171745917  0.001385327463  6.077197451948  0.009615445784  0.071859000122  0.025615456996  0.000048414483  0.000380809260  0.000562248257
  23  Al  6.090388866092  2.028055275491  4.044302786667  -0.046695788651  -0.004339759449  0.077812719339  0.003825576585  0.000762152205  -0.001386449908
  24  Al  4.053674730524  4.047990314580  0.021604041052  0.029652533571  -0.021842616969  -0.059652144847  0.000933170584  -0.000512170551  0.005372784578
  25  Al  4.042920506865  6.094242218831  2.043231112528  0.011561029451  -0.038723538586  -0.034851552797  -0.001764508574  0.004792171345  0.004541696384
  26  Al  6.064984499291  4.064322361678  2.011692752553  -0.006254850568  0.020229022513  0.019816746014  -0.002506479580  0.003590935499  -0.003317430719
  27  Al  6.067281408829  6.083701858340  0.017522234783  0.012283332125  -0.033070706069  -0.026956452429  -0.001922730349  0.002159984169  0.004368042942
  28  Al  4.054113166934  4.058066207378  4.064670393133  -0.011657690957  -0.005450017249  -0.070535361981  0.001022866913  0.002014049209  0.003633627366
  29  Al  4.033018863446  6.080505868644  6.100487333716  0.092894288546  -0.014606538631  -0.063107672765  -0.004199944827  0.001369896146  0.006341489648
  30  Al  6.079608670461  4.032454633700  6.078536765638  -0.002336543461  0.012622428755  0.019765106636  0.001151797185  -0.004380049151  0.000895186394
  31  Al  6.091197674217  6.067761865575  4.048533865789  -0.036184399825  0.019423405201  -0.046577853581  0.004032527294  -0.001799866034  -0.000388248227


MDSTEP:  9
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.047125723786  -0.020301298410  0.002356357274
  -0.020301298410  -83.083088105716  -0.088452460905
  0.002356357274  -0.088452460905  -82.732197871692
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.080147086918  8.094232417960  8.090943357990  0.055090891980  0.003343630809  -0.041906839818  -0.004382015976  -0.001279193293  -0.002034477694
  1  Al  8.090641301123  2.011538092141  2.007089052430  0.055831481200  0.031287856072  0.001551010547  -0.002049211492  -0.002974830038  -0.003979575337
  2  Al  2.013689473612  8.081585269366  2.014993934874  0.024679394479  -0.004788554538  0.044964602972  -0.002499273298  -0.004094521310  -0.002199162570
  3  Al  2.012931406142  2.019373114123  8.096822662771  0.012522233068  -0.007563453692  -0.074551681944  -0.002673928324  -0.001254540308  -0.000745920602
  4  Al  0.003080108271  8.085813855723  4.078803604355  0.045664515159  0.005703419645  -0.079044216434  0.000708671631  -0.003148469651  0.006358884341
  5  Al  0.002587794974  2.024739846351  6.085932987730  -0.007677301034  -0.010898841268  -0.028737585221  0.000570127253  -0.000063357158  0.002415167892
  6  Al  2.019932680509  8.096903758373  6.070804994589  -0.029367283152  0.073341582800  0.012577029179  -0.001141303707  -0.000647638155  -0.000924860073
  7  Al  2.023657204204  2.028998288531  4.061054232749  -0.011516055833  -0.030191299188  0.017691125820  -0.000303853859  0.000871973816  0.002466450917
  8  Al  8.092245755468  4.067395232451  8.075251912445  -0.000525972392  -0.049323595117  0.045145196182  -0.001723130048  0.003839248488  -0.005474479988
  9  Al  0.005656322348  6.072675238333  2.023102372820  0.007255341397  -0.002132775401  0.037086430209  0.001260869951  -0.000516835176  -0.000401666978
  10  Al  2.036036139209  4.029290079910  2.021995233740  -0.022540255211  0.133001518236  0.051911817926  0.002441416499  -0.004529736347  -0.000640161753
  11  Al  2.029437384101  6.080982246870  0.020321508782  -0.044700239282  0.009328143852  0.051212185175  0.000962477927  0.001335743680  0.004543661520
  12  Al  8.089683078181  4.056563357830  4.034127667654  0.068853928343  0.011995273646  0.064287814299  -0.002255200225  0.001466031869  -0.003491655547
  13  Al  0.001599481259  6.068455231935  6.058180723865  0.003495984666  0.007324428569  0.032876316861  0.000357513015  -0.001449547058  -0.003718739519
  14  Al  2.021981954209  4.043048553683  6.082410639991  -0.043082452361  -0.053089570817  -0.039330222098  -0.000693479482  -0.001572967390  0.001626729179
  15  Al  2.042792735857  6.077772875681  4.031607827006  -0.079329969078  -0.029128948387  -0.022822223457  0.003911862902  0.000601348886  -0.004099573267
  16  Al  4.070891941763  0.022351311367  8.098995267985  -0.012603597344  -0.000255979101  0.060624253313  0.004636342791  0.004967265765  -0.000189980878
  17  Al  4.024978150958  2.005500377065  2.022029399282  0.084862673876  0.034510539321  -0.007468526338  -0.005513350236  -0.004314731357  -0.000664265467
  18  Al  6.091754584925  8.081223751154  2.002664648825  -0.079171779634  -0.013831011332  0.028197685200  0.003680652685  -0.004179290404  -0.004948932764
  19  Al  6.082217184457  2.046814251311  8.072975353731  -0.066943413457  -0.065377511735  -0.003221504109  0.001567499817  0.004812847739  -0.006007139314
  20  Al  4.056517534666  0.023760819141  4.052240230133  -0.033441301973  -0.075924295417  -0.016500451716  0.001431335584  0.005239364758  0.000489652003
  21  Al  4.054807829559  2.018243081916  6.079505508802  0.011012731588  0.027433694582  0.046766542290  0.001075052150  -0.001487092921  0.001027499693
  22  Al  6.075196382966  0.001578944165  6.077479721078  0.012039338112  0.080694529700  0.027549189475  0.000050350405  0.000394447436  0.000567001138
  23  Al  6.092299567100  2.028436157607  4.043613039913  -0.051034804583  -0.003842145700  0.086858670409  0.003816839540  0.000761420748  -0.001371728405
  24  Al  4.054142641274  4.047733252947  0.024287766912  0.031779971526  -0.024468093599  -0.066895666012  0.000938662606  -0.000516310696  0.005361471295
  25  Al  4.042038769352  6.096636573575  2.045500402869  0.011810086734  -0.044322288609  -0.038607141462  -0.001762419213  0.004784747108  0.004535129230
  26  Al  6.063730979911  4.066118733658  2.010034922995  -0.005321613867  0.022623858079  0.024146492912  -0.002507514507  0.003594766515  -0.003313500437
  27  Al  6.066320592715  6.084780372176  0.019705051310  0.014902977366  -0.038188596901  -0.030229709615  -0.001920299913  0.002153613638  0.004362930540
  28  Al  4.054624079296  4.059072988369  4.066484053911  -0.014452356252  -0.005627912798  -0.079381595261  0.001020532693  0.002013058850  0.003620224898
  29  Al  4.030923043374  6.081190163810  6.103655257650  0.102427171378  -0.017492333285  -0.071510376593  -0.004182483229  0.001367026529  0.006329454892
  30  Al  6.080184464610  4.030265173342  6.078985242328  -0.001341412649  0.014661423888  0.019972110667  0.001151468378  -0.004377609994  0.000898738872
  31  Al  6.093212320435  6.066862800778  4.048337659662  -0.039178912767  0.021197307684  -0.053210733357  0.004025789868  -0.001796234571  -0.000397169255


MDSTEP:  10
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.978972786872  -0.024658576385  0.002856920084
  -0.024658576385  -83.022843369596  -0.108781528563
  0.002856920084  -0.108781528563  -82.589794656720
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.077958541473  8.093592970773  8.089924245922  0.059074031277  0.005177867075  -0.047245236298  -0.004371809714  -0.001278431478  -0.002042447825
  1  Al  8.089619191024  2.010052075678  2.005099334091  0.059282409741  0.033587743719  -0.000026604223  -0.002038920393  -0.002969030206  -0.003979439056
  2  Al  2.012440940123  8.079537794665  2.013896363491  0.030403361298  -0.003287357408  0.048237292836  -0.002494348939  -0.004095243290  -0.002190830388
  3  Al  2.011595001719  2.018745505885  8.096446370037  0.016636790706  -0.009735116020  -0.083138559698  -0.002671321529  -0.001256086788  -0.000760017996
  4  Al  0.003436485274  8.084239875838  4.081979513278  0.048308685312  0.007358943710  -0.087188576841  0.000717072768  -0.003147301885  0.006344023249
  5  Al  0.002872515428  2.024707680598  6.087139287116  -0.010640242420  -0.013918822460  -0.030494955224  0.000568489678  -0.000065575839  0.002409872545
  6  Al  2.019360715948  8.096583217638  6.070343126741  -0.029307532523  0.082648705588  0.015871686755  -0.001146549194  -0.000633692736  -0.000922316779
  7  Al  2.023504762511  2.029432925899  4.062288248995  -0.009413860197  -0.034724411613  0.020484904390  -0.000305724978  0.000866170398  0.002469863827
  8  Al  8.091384166934  4.069312651948  8.072516690424  -0.003119135448  -0.055947835832  0.049564000580  -0.001723455918  0.003829837298  -0.005466013054
  9  Al  0.006287081635  6.072416725411  2.022903197082  0.005121537237  -0.001073109317  0.039643500237  0.001261976435  -0.000517121780  -0.000394807377
  10  Al  2.037255839917  4.027031156857  2.021677473303  -0.022330995271  0.145935952840  0.056462407993  0.002437405041  -0.004504799538  -0.000630473175
  11  Al  2.029916624980  6.081650535675  0.022595628708  -0.046309877240  0.011328077705  0.055550006583  0.000954341688  0.001337590332  0.004553205983
  12  Al  8.088558555814  4.057296909949  4.032384713523  0.074072784053  0.011837692005  0.071957980472  -0.002242422680  0.001468162519  -0.003479475271
  13  Al  0.001778394035  6.067730785805  6.056322823665  0.000749999770  0.009397795839  0.037744910010  0.000357892603  -0.001448052103  -0.003712426032
  14  Al  2.021633288698  4.042259696904  6.083222246534  -0.044390078765  -0.060137440743  -0.042394172219  -0.000701299464  -0.001583089803  0.001619423077
  15  Al  2.044745121287  6.078072248070  4.029557020227  -0.085129605486  -0.030956248382  -0.023835145585  0.003897160335  0.000595977313  -0.004103744403
  16  Al  4.073209549782  0.024834932807  8.098902987428  -0.011410079646  0.000373069296  0.066604229854  0.004634195986  0.004967276233  -0.000178606743
  17  Al  4.022225269172  2.003344553995  2.021696932708  0.096573531755  0.036987546690  -0.009686193919  -0.005497129969  -0.004308339479  -0.000665799086
  18  Al  6.093591372318  8.079133487711  2.000191442870  -0.091201504651  -0.013671853574  0.030546528839  0.003665421436  -0.004181749140  -0.004943681073
  19  Al  6.082997942019  2.049217752829  8.069971640074  -0.077013812878  -0.074423313322  -0.003165238213  0.001554630145  0.004800349645  -0.006007710284
  20  Al  4.057231707643  0.026377107732  4.052484318570  -0.034824428628  -0.083279070698  -0.017851838324  0.001425232677  0.005225132092  0.000486580933
  21  Al  4.055345847899  2.017500761732  6.080021349096  0.014576266324  0.029460470961  0.053326221990  0.001077339788  -0.001482006623  0.001036447914
  22  Al  6.075222096322  0.001779774899  6.077764453086  0.010178527272  0.090540559752  0.031905506709  0.000052336666  0.000409755730  0.000572316345
  23  Al  6.094205705632  2.028816696239  4.042931058262  -0.059965880154  -0.005610337969  0.096685599162  0.003806916159  0.000760575703  -0.001355319679
  24  Al  4.054613393130  4.047474003884  0.026965512348  0.037690176349  -0.028697936226  -0.075634854938  0.000944873187  -0.000521063700  0.005348729169
  25  Al  4.041158087652  6.099026965939  2.047766241758  0.016367325627  -0.047380017681  -0.044630768966  -0.001759900172  0.004776548988  0.004527687821
  26  Al  6.062476984784  4.067917128194  2.008379252116  -0.008379248955  0.023465324683  0.026023594150  -0.002508739354  0.003598886855  -0.003309015268
  27  Al  6.065361108916  6.085855471979  0.021885165323  0.013105482419  -0.041132199725  -0.035055030522  -0.001917795977  0.002146522416  0.004357094131
  28  Al  4.055133699627  4.060079266228  4.068290618031  -0.013452259801  -0.007020341841  -0.086821918743  0.001018038041  0.002011928105  0.003605366423
  29  Al  4.028836380217  6.081872895174  6.106816788608  0.115830839448  -0.018016439983  -0.077221517966  -0.004162971120  0.001363852071  0.006316158367
  30  Al  6.080760138839  4.028077023705  6.079435504510  -0.004606786263  0.015825561700  0.022355546418  0.001150936613  -0.004374884480  0.000902522934
  31  Al  6.095223464086  6.065965631004  4.048136696535  -0.046476420260  0.025086541232  -0.058573305298  0.004018132343  -0.001792096828  -0.000407162667


MDSTEP:  11
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.904717014795  -0.029711548326  0.003497666215
  -0.029711548326  -82.956071683519  -0.131566422454
  0.003497666215  -0.131566422454  -82.431985421009
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.075775277204  8.092953986483  8.088900910165  0.066084389203  0.005048882310  -0.051881411196  -0.004360620641  -0.001277517214  -0.002051309676
  1  Al  8.088602380730  2.008569061936  2.003109613374  0.065933232428  0.037798591125  0.000720151951  -0.002027726205  -0.002962648319  -0.003979377053
  2  Al  2.011195124672  8.077490026076  2.012803104487  0.031501638416  -0.003703936501  0.053306445904  -0.002488814677  -0.004095868307  -0.002181752450
  3  Al  2.010260084613  2.018117027335  8.096062644775  0.016001881279  -0.010044091585  -0.091049021799  -0.002668403655  -0.001257855035  -0.000775590240
  4  Al  0.003797181039  8.082666553838  4.085147627604  0.053799824688  0.007189690220  -0.096053499290  0.000726201195  -0.003146001248  0.006327641539
  5  Al  0.003156284652  2.024674270512  6.088342860275  -0.010553755486  -0.014989176701  -0.034388152637  0.000566594950  -0.000068160194  0.002404072042
  6  Al  2.018786131315  8.096270065637  6.069882677810  -0.033709609058  0.089888690144  0.017225049467  -0.001152182881  -0.000618268017  -0.000919357954
  7  Al  2.023351479226  2.029864458929  4.063524096576  -0.012173725025  -0.037155972964  0.022626320782  -0.000307654893  0.000859744343  0.002473717939
  8  Al  8.090522299551  4.071225069749  8.069785899390  -0.002467001448  -0.060567904764  0.054487776790  -0.001723955314  0.003819420874  -0.005456710900
  9  Al  0.006918298783  6.072158116553  2.022707565443  0.005898590566  -0.001899859664  0.044086156337  0.001262961627  -0.000517387561  -0.000387322006
  10  Al  2.038473544250  4.024785280373  2.021364760565  -0.026781138187  0.160928888110  0.063120158656  0.002433014452  -0.004477366042  -0.000619782580
  11  Al  2.030391725790  6.082319837201  0.024874714765  -0.052327089439  0.011301146634  0.060567320398  0.000945523615  0.001339613368  0.004563586788
  12  Al  8.087440655501  4.058031520349  4.030648192384  0.082435835760  0.013147519564  0.078823664850  -0.002228430922  0.001470396179  -0.003465995500
  13  Al  0.001957373861  6.067007179832  6.054468297833  0.000977889471  0.009651341833  0.040676752766  0.000358047075  -0.001446349124  -0.003705415192
  14  Al  2.021280654745  4.041465463880  6.084030063068  -0.050250521977  -0.065197596884  -0.047476727289  -0.000709760265  -0.001594294665  0.001611388683
  15  Al  2.046689896192  6.078368852993  4.027504082604  -0.095492463454  -0.034833982137  -0.025273001856  0.003881012852  0.000590095713  -0.004108134636
  16  Al  4.075526137748  0.027318587600  8.098816661242  -0.012873995601  -0.001033488186  0.073188852536  0.004632025007  0.004967217192  -0.000166109342
  17  Al  4.019481020989  2.001192037586  2.021363600195  0.105019340758  0.041336656717  -0.009997698948  -0.005479107712  -0.004301337352  -0.000667558812
  18  Al  6.095420006361  8.077042002014  1.997720967752  -0.098541245188  -0.015466366362  0.034812064011  0.003648458571  -0.004184354076  -0.004937838062
  19  Al  6.083771814602  2.051614600957  8.066967643448  -0.082603691867  -0.081959998012  -0.002660409210  0.001540360455  0.004786369090  -0.006008231092
  20  Al  4.057942767342  0.028985951233  4.052726811066  -0.039147390117  -0.092490350741  -0.019663991143  0.001418619649  0.005209418432  0.000483227045
  21  Al  4.055885169347  2.016761075293  6.080541956716  0.015410032954  0.033326544350  0.057889767179  0.001080020542  -0.001476393509  0.001046390544
  22  Al  6.075248719632  0.001988699895  6.078052037423  0.012683610366  0.098531580628  0.034406656527  0.000054380525  0.000426658643  0.000578244604
  23  Al  6.096106483258  2.029196733310  4.042257720234  -0.064050490987  -0.005531273857  0.105990068672  0.003795829184  0.000759579651  -0.001337200620
  24  Al  4.055087514461  4.047212189247  0.029636496081  0.040476714839  -0.030840326170  -0.083762034477  0.000951861251  -0.000526386378  0.005334479202
  25  Al  4.040278869180  6.101413122563  2.050028090689  0.017782810621  -0.052429716176  -0.049042902832  -0.001756847175  0.004767626069  0.004519313462
  26  Al  6.061222240557  4.069717620513  2.006725907727  -0.006774371073  0.026302764153  0.030218586846  -0.002510094077  0.003603336086  -0.003303987257
  27  Al  6.064402796738  6.086926894592  0.024062145441  0.015767396075  -0.045673698068  -0.039265863188  -0.001915214762  0.002138762031  0.004350449897
  28  Al  4.055642117337  4.061084916473  4.070089420334  -0.015616253958  -0.006403872632  -0.094791778491  0.001015439336  0.002010727990  0.003589130289
  29  Al  4.026760072254  6.082554015881  6.109971416017  0.125859374377  -0.020362143608  -0.084684334447  -0.004141364189  0.001360421053  0.006301684100
  30  Al  6.081335401224  4.025890288862  6.079887765262  -0.003329006317  0.018865902058  0.022475790606  0.001150227159  -0.004371783088  0.000906530824
  31  Al  6.097230452778  6.065070703949  4.047930496995  -0.048940812621  0.027265557168  -0.064630757476  0.004009602111  -0.001787416588  -0.000418177022


MDSTEP:  12
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.823357933128  -0.034805450891  0.004120613121
  -0.034805450891  -82.883150796927  -0.155863224624
  0.004120613121  -0.155863224624  -82.259990733328
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.073597920832  8.092315453559  8.087872936246  0.071567204398  0.005825469571  -0.057345891405  -0.004348314688  -0.001276545054  -0.002061074518
  1  Al  8.087591464819  2.007089427360  2.001119957038  0.070862070321  0.040900597966  0.000177580437  -0.002015496803  -0.002955612668  -0.003979296797
  2  Al  2.009952125446  8.075441926358  2.011714611040  0.035304260161  -0.002928567315  0.057333241892  -0.002482842278  -0.004096461248  -0.002171861342
  3  Al  2.008926598064  2.017487650850  8.095670779797  0.018130325507  -0.011422257144  -0.099602684958  -0.002665352260  -0.001259774111  -0.000792634365
  4  Al  0.004162686470  8.081093874591  4.088307154817  0.057738038823  0.007857433956  -0.104185042867  0.000736172600  -0.003144656046  0.006309740357
  5  Al  0.003439110377  2.024639520404  6.089543359158  -0.012040669632  -0.017222583063  -0.037142765606  0.000564575024  -0.000071039902  0.002397677229
  6  Al  2.018208533067  8.095964949621  6.069423768787  -0.035315864251  0.097912602400  0.019804482827  -0.001158353708  -0.000601478716  -0.000916047541
  7  Al  2.023197107618  2.030292670242  4.064761966934  -0.012031305524  -0.040750918151  0.025570132949  -0.000309818805  0.000852779523  0.002478026668
  8  Al  8.089660211620  4.073132072822  8.067059979524  -0.003633618030  -0.066002964528  0.058698605952  -0.001724500705  0.003808105530  -0.005446592119
  9  Al  0.007550043262  6.071899337849  2.022515875075  0.004995220289  -0.001671095074  0.047349018468  0.001263935526  -0.000517706802  -0.000379147767
  10  Al  2.039688854369  4.022553790815  2.021057690723  -0.028608410448  0.174813776114  0.068622076539  0.002428062666  -0.004447350889  -0.000608004919
  11  Al  2.030862148595  6.082990149043  0.027159215496  -0.055606971246  0.012283053782  0.064459259547  0.000935874387  0.001341721779  0.004574764075
  12  Al  8.086330124892  4.058767306128  4.028918718023  0.089081648207  0.013599716706  0.086512437984  -0.002213097382  0.001472787363  -0.003451214572
  13  Al  0.002136441110  6.066284436682  6.052617408473  -0.000596983396  0.010934975323  0.044727675418  0.000358081127  -0.001444508722  -0.003697780097
  14  Al  2.020923528432  4.040665402238  6.084833635216  -0.053120789043  -0.071044792317  -0.051507441526  -0.000719001586  -0.001606474637  0.001602539569
  15  Al  2.048626134139  6.078662343784  4.025448885592  -0.103034087984  -0.037498266510  -0.025659367695  0.003863264721  0.000583629262  -0.004112687953
  16  Al  4.077841574789  0.029802149999  8.098736878086  -0.012904805410  -0.001708924947  0.078996603580  0.004629720401  0.004966972022  -0.000152504072
  17  Al  4.016746161460  1.999043216644  2.021029373895  0.115166708196  0.044636611751  -0.011345202306  -0.005459423237  -0.004293651403  -0.000669466852
  18  Al  6.097239830888  8.074949133635  1.995253604808  -0.108647231285  -0.016259319199  0.038216693095  0.003629936070  -0.004187190329  -0.004931309344
  19  Al  6.084538302474  2.054004121919  8.063963408982  -0.090737638994  -0.090450707907  -0.002547837756  0.001524863864  0.004770955697  -0.006008696706
  20  Al  4.058650327293  0.031586526164  4.052967545615  -0.041955856039  -0.100937860883  -0.020791273239  0.001411369078  0.005192126089  0.000479610374
  21  Al  4.056425868441  2.016024368223  6.081067739640  0.017636380219  0.036308942230  0.063510640490  0.001082974867  -0.001470168147  0.001057243653
  22  Al  6.075276476847  0.002206433543  6.078342697690  0.012570371725  0.107234759584  0.037862696687  0.000056638213  0.000445054006  0.000584705433
  23  Al  6.098001534817  2.029576275890  4.041593857642  -0.071008166506  -0.006409552903  0.115944796558  0.003783755038  0.000758512150  -0.001317359803
  24  Al  4.055565254381  4.046947617506  0.032299991550  0.044939555515  -0.033914521196  -0.092890565726  0.000959497404  -0.000532175415  0.005318686587
  25  Al  4.039401240478  6.103794592008  2.052285555220  0.021101364412  -0.056221958200  -0.054510690217  -0.001753370957  0.004757912688  0.004510055845
  26  Al  6.059966890706  4.071520464280  2.005075264859  -0.007797266801  0.028073601193  0.033288414656  -0.002511396771  0.003608197294  -0.003298309777
  27  Al  6.063445894154  6.087994234010  0.026235615219  0.015660712767  -0.049393634707  -0.044522298643  -0.001912405112  0.002130263080  0.004342959295
  28  Al  4.056149138964  4.062089994218  4.071879748320  -0.016010016244  -0.006573340347  -0.101670540733  0.001012611971  0.002009567836  0.003571566699
  29  Al  4.024695016028  6.083233316227  6.113118472708  0.137392207197  -0.021761977907  -0.090937010666  -0.004117829687  0.001356655187  0.006285983679
  30  Al  6.081910365998  4.023705240617  6.080342035334  -0.004826358868  0.021283093914  0.023423559602  0.001149498075  -0.004368193797  0.000910634193
  31  Al  6.099233066197  6.064178214416  4.047718519513  -0.054270028034  0.030508607808  -0.069839303337  0.004000375136  -0.001782251620  -0.000430198548


MDSTEP:  13
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.736095153137  -0.040404827715  0.004916557142
  -0.040404827715  -82.803729692058  -0.182567751335
  0.004916557142  -0.182567751335  -82.072880685984
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.071426962516  8.091677441428  8.086839835647  0.080236951162  0.005876154083  -0.060764099615  -0.004334743505  -0.001275498938  -0.002071633466
  1  Al  8.086586883927  2.005613449268  1.999130316578  0.079089240961  0.045226378051  0.001409254070  -0.002002091264  -0.002947912978  -0.003979154935
  2  Al  2.008712282395  8.073393564828  2.010631243144  0.035417448787  -0.002612446130  0.062686325305  -0.002476519808  -0.004096956611  -0.002161131679
  3  Al  2.007594732353  2.016857253224  8.095270010410  0.016417613198  -0.011703055100  -0.105878509177  -0.002662263699  -0.001261841497  -0.000811004236
  4  Al  0.004533353639  8.079521897792  4.091457367961  0.064606061479  0.008026488265  -0.114497944457  0.000747110074  -0.003143236034  0.006290190256
  5  Al  0.003720859676  2.024603230610  6.090740537504  -0.010342901186  -0.018294170800  -0.041454719968  0.000562573949  -0.000074215074  0.002390650671
  6  Al  2.017627777606  8.095668586921  6.068966630270  -0.040498974009  0.105150319367  0.020977488171  -0.001165131500  -0.000583325037  -0.000912401662
  7  Al  2.023041660421  2.030717238452  4.066002123244  -0.015744780018  -0.043090590168  0.026315020198  -0.000312301967  0.000845284153  0.002482665163
  8  Al  8.088797798846  4.075033175279  8.064339307271  -0.001411500369  -0.070716752162  0.064960111380  -0.001724951735  0.003795882886  -0.005435537119
  9  Al  0.008182234309  6.071640409751  2.022328417676  0.007129978676  -0.002639743793  0.051928855854  0.001265019510  -0.000518092188  -0.000370272397
  10  Al  2.040901606916  4.020337929484  2.020756755646  -0.034290504264  0.189269974066  0.075624292523  0.002422439548  -0.004414802064  -0.000595109397
  11  Al  2.031327600177  6.083661558980  0.029449478839  -0.062625789480  0.012030076240  0.070350203645  0.000925304464  0.001343895355  0.004586815944
  12  Al  8.085227558119  4.059504307711  4.027196977812  0.099012202851  0.014289603097  0.091948904139  -0.002196281927  0.001475280648  -0.003435260256
  13  Al  0.002315454988  6.065562671110  6.050770517736  0.000944482846  0.011195951589  0.047469839994  0.000358112193  -0.001442530233  -0.003689537706
  14  Al  2.020561653159  4.039858989243  6.085632602637  -0.059769329462  -0.076166449867  -0.057054548026  -0.000729093882  -0.001619635216  0.001592834206
  15  Al  2.050553160912  6.078952482256  4.023391394651  -0.114207631774  -0.041397795162  -0.027855300457  0.003843843467  0.000576576011  -0.004117472126
  16  Al  4.080155858149  0.032285559621  8.098664157170  -0.015889127418  -0.003049491321  0.086816160554  0.004627146244  0.004966546623  -0.000137680530
  17  Al  4.014021597752  1.996898386183  2.020694133343  0.121738458359  0.049091286192  -0.011294336542  -0.005438244086  -0.004285272197  -0.000671490811
  18  Al  6.099049942431  8.072854811685  1.992789658409  -0.114830732576  -0.017659192979  0.043160655919  0.003609957301  -0.004190222620  -0.004924034267
  19  Al  6.085296678466  2.056385556653  8.060958946742  -0.095109114996  -0.098110153476  -0.000372122425  0.001508249298  0.004754098492  -0.006008957748
  20  Al  4.059354136420  0.034178077323  4.053206421440  -0.047951396988  -0.110012481474  -0.023795698145  0.001403331434  0.005173267280  0.000475624331
  21  Al  4.056968144214  2.015290907146  6.081599200369  0.016825301177  0.040273191635  0.067584708350  0.001086055717  -0.001463321759  0.001068963483
  22  Al  6.075305357845  0.002433753901  6.078636742855  0.016039851438  0.115200462070  0.039866161947  0.000059195946  0.000464939555  0.000591654337
  23  Al  6.099890238296  2.029955245460  4.040940360431  -0.073935682996  -0.006233147933  0.123803873079  0.003770797162  0.000757381901  -0.001295926444
  24  Al  4.056047011865  4.046680013832  0.034955182668  0.046152939850  -0.036283626961  -0.099834201201  0.000967641008  -0.000538451079  0.005301457131
  25  Al  4.038525498222  6.106171035250  2.054538146534  0.021185258309  -0.061219440931  -0.058747469691  -0.001749590564  0.004747413511  0.004499930647
  26  Al  6.058710843786  4.073325817807  2.003427597951  -0.004973941470  0.030429973080  0.038114258390  -0.002512538508  0.003613427472  -0.003291926429
  27  Al  6.062490391626  6.089057157672  0.028405104736  0.019268629803  -0.054045551573  -0.047845210562  -0.001909282454  0.002121015691  0.004334701707
  28  Al  4.056654729307  4.063094484310  4.073660987033  -0.019673059255  -0.006032669484  -0.110627744411  0.001009421929  0.002008440868  0.003552587385
  29  Al  4.022642242567  6.083910671068  6.116257399696  0.145510504919  -0.024127757762  -0.098571891755  -0.004092538388  0.001352552677  0.006269041719
  30  Al  6.082484899299  4.021522095066  6.080798399455  -0.002569173587  0.024448423780  0.022673119777  0.001148836920  -0.004364105432  0.000914755203
  31  Al  6.101230827914  6.063288452330  4.047500298447  -0.055751283965  0.032886235560  -0.077095436866  0.003990539310  -0.001776584166  -0.000443334408


MDSTEP:  14
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.640938627277  -0.046174532133  0.005825618223
  -0.046174532133  -82.718234175088  -0.210532636105
  0.005825618223  -0.210532636105  -81.872144191110
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.069263177327  8.091039954621  8.085801302780  0.084322623804  0.007788273056  -0.065506199666  -0.004320031998  -0.001274277348  -0.002082921940
  1  Al  8.085589373556  2.004141514381  1.997140802103  0.082389555610  0.048811207902  0.000376390703  -0.001987655175  -0.002939506086  -0.003978995299
  2  Al  2.007475605638  8.071344969747  2.009553479361  0.041109193845  -0.000360832082  0.066288027891  -0.002469678381  -0.004097222420  -0.002149601465
  3  Al  2.006264334365  2.016225809353  8.094859775560  0.020365456236  -0.012604415504  -0.113572747421  -0.002658975319  -0.001264014568  -0.000830623021
  4  Al  0.004909796544  8.077950638556  4.094597345072  0.067131153821  0.009810706142  -0.123301901586  0.000758887287  -0.003141641402  0.006268931121
  5  Al  0.004001684327  2.024565305330  6.091934009829  -0.013080248309  -0.020303085242  -0.043835112740  0.000560479937  -0.000077665641  0.002383025821
  6  Al  2.017043401567  8.095381624584  6.068511367125  -0.039941722780  0.114153902378  0.024128136121  -0.001172322841  -0.000563719398  -0.000908369252
  7  Al  2.022884805651  2.031137954395  4.067244632097  -0.013506111080  -0.046301562658  0.028542464032  -0.000314916976  0.000837292559  0.002487569383
  8  Al  8.087935259884  4.076927955708  8.061624442406  -0.004031136671  -0.077157035872  0.069731729162  -0.001725438303  0.003782663075  -0.005423495765
  9  Al  0.008815062771  6.071381245662  2.022145602679  0.004416630267  -0.002729258873  0.054671471280  0.001266051768  -0.000518572173  -0.000360742404
  10  Al  2.042111293917  4.018138988752  2.020462581326  -0.034129696564  0.201587433747  0.080746800305  0.002416322831  -0.004379859693  -0.000581129934
  11  Al  2.031787453058  6.084334044398  0.031746031440  -0.063660035892  0.012364309378  0.074305251021  0.000914014602  0.001346076195  0.004599748037
  12  Al  8.084133842965  4.060242586775  4.025483457767  0.104064593337  0.013511427882  0.099010802704  -0.002178127008  0.001477766040  -0.003418188596
  13  Al  0.002494553303  6.064841906449  6.048927870768  -0.002347182283  0.011850554577  0.051952552180  0.000357986793  -0.001440469892  -0.003680649415
  14  Al  2.020194434551  4.039045767022  6.086426469422  -0.060478766825  -0.082827018880  -0.060570847598  -0.000739843975  -0.001633849118  0.001582318580
  15  Al  2.052469977606  6.079238919795  4.021331413466  -0.119612217715  -0.044414976115  -0.028359704104  0.003822940141  0.000568904411  -0.004122497707
  16  Al  4.082468721033  0.034768696622  8.098599197556  -0.014443469128  -0.003049369235  0.093071645259  0.004624434532  0.004966001389  -0.000121598690
  17  Al  4.011307917374  1.994757944447  2.020357883084  0.133233526675  0.052971392435  -0.012956735183  -0.005415449774  -0.004276147867  -0.000673658839
  18  Al  6.100849788189  8.070758911015  1.990329570541  -0.126812674434  -0.017134785142  0.046362250866  0.003588354554  -0.004193333177  -0.004916030984
  19  Al  6.086046551772  2.058758220411  8.057954451234  -0.105010377942  -0.106368122520  0.001010519589  0.001490358760  0.004735818281  -0.006008900676
  20  Al  4.060053658727  0.036759793445  4.053443169946  -0.049371820710  -0.117440767800  -0.025492623364  0.001394630808  0.005152933124  0.000471217990
  21  Al  4.057511924157  2.014561046463  6.082136703123  0.020517538821  0.043837543944  0.073437563494  0.001089394140  -0.001455802320  0.001081570772
  22  Al  6.075335672793  0.002671373097  6.078934352027  0.013752806421  0.124684369066  0.043642110164  0.000061859388  0.000486385086  0.000599119916
  23  Al  6.101772331978  2.030333657791  4.040297931197  -0.083009729846  -0.006614897290  0.132812919032  0.003756766355  0.000756233295  -0.001272985088
  24  Al  4.056532895389  4.046409166427  0.037601448681  0.051911188989  -0.040487681684  -0.108679692826  0.000976407870  -0.000545314379  0.005282816139
  25  Al  4.037651649914  6.108542005519  2.056785485867  0.026311784035  -0.065173673442  -0.064723746780  -0.001745344362  0.004736114058  0.004488892409
  26  Al  6.057454352199  4.075133891752  2.001783338430  -0.007673543558  0.030753587404  0.041109537047  -0.002513669184  0.003618897238  -0.003284843879
  27  Al  6.061536611700  6.090115249701  0.030570316926  0.017046374091  -0.058147105271  -0.052946938016  -0.001906035919  0.002110985749  0.004325690961
  28  Al  4.057158560893  4.064098435086  4.075432335705  -0.018476031463  -0.007099452252  -0.117782124192  0.001006011428  0.002007266866  0.003532167707
  29  Al  4.020602477640  6.084585868904  6.119387514427  0.158362374494  -0.025947229544  -0.104107693787  -0.004065372371  0.001348076010  0.006250922310
  30  Al  6.083059202918  4.019341135185  6.081256790536  -0.006163688677  0.026350246679  0.023400405485  0.001148056208  -0.004359564067  0.000918874143
  31  Al  6.103223605507  6.062401630250  4.047275185104  -0.063186346568  0.035686314817  -0.082764509073  0.003979906371  -0.001770453830  -0.000457625773


MDSTEP:  15
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.540056571094  -0.052533396833  0.006766714501
  -0.052533396833  -82.626357534874  -0.241302959676
  0.006766714501  -0.241302959676  -81.656502014586
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.067106930519  8.090403164081  8.084756913706  0.091339456646  0.007794418655  -0.070138914316  -0.004304327934  -0.001272884266  -0.002095048516
  1  Al  8.084599228751  2.002673943182  1.995151321278  0.088686123413  0.052230528264  0.001041550784  -0.001972361133  -0.002930473027  -0.003978868536
  2  Al  2.006242604014  8.069296342408  2.008481641680  0.042361197709  0.000210272812  0.071033098503  -0.002462216188  -0.004097235879  -0.002137325055
  3  Al  2.004935757034  2.015593238657  8.094439387389  0.019793424883  -0.013819004047  -0.121032709782  -0.002655385144  -0.001266376802  -0.000851596580
  4  Al  0.005292240926  8.076380256390  4.097726299082  0.072351646488  0.009807706163  -0.132145892381  0.000771356949  -0.003139887530  0.006246094272
  5  Al  0.004281339613  2.024525564969  6.093123563325  -0.012937551480  -0.022474194759  -0.047761772830  0.000558153964  -0.000081489899  0.002374837125
  6  Al  2.016455454766  8.095104867523  6.068058261018  -0.043588486609  0.120996415898  0.025871298294  -0.001179790381  -0.000542697128  -0.000903899338
  7  Al  2.022726743445  2.031554531011  4.068489692626  -0.015905402291  -0.049493373985  0.030691352456  -0.000317546344  0.000828728560  0.002492864843
  8  Al  8.087072360543  4.078815838354  8.058915811506  -0.003543922323  -0.081655538538  0.074563641081  -0.001726115508  0.003768465345  -0.005410595863
  9  Al  0.009448286077  6.071121837578  2.021967675272  0.004645542274  -0.002724012347  0.058671609880  0.001266861920  -0.000519059691  -0.000350609614
  10  Al  2.043317929748  4.015958069791  2.020175625712  -0.038701268552  0.215813020061  0.087400965546  0.002409811796  -0.004342544393  -0.000566097645
  11  Al  2.032241614779  6.085007635175  0.034049226877  -0.069090204887  0.012857187192  0.078262540508  0.000902146826  0.001348330979  0.004613387488
  12  Al  8.083049431111  4.060982073751  4.023778789216  0.112245211625  0.014165851821  0.105758028984  -0.002158789067  0.001480240369  -0.003399882410
  13  Al  0.002673441782  6.064122201218  6.047089868320  -0.002735076698  0.012982773726  0.055016023003  0.000357532443  -0.001438249810  -0.003671086502
  14  Al  2.019821809184  4.038225140125  6.087214921217  -0.065573147783  -0.087567744728  -0.065672248601  -0.000751112925  -0.001649082287  0.001571032538
  15  Al  2.054376101054  6.079521386667  4.019268896944  -0.129573851088  -0.047330814769  -0.028586027487  0.003800663086  0.000560702403  -0.004127588614
  16  Al  4.084780292681  0.037251561011  8.098542558480  -0.015611413117  -0.005001315873  0.099270448960  0.004621747647  0.004965281664  -0.000104403445
  17  Al  4.008606147978  1.992622238316  2.020020474503  0.141494946672  0.056377505339  -0.013310022693  -0.005390889246  -0.004266372154  -0.000676007068
  18  Al  6.102638296985  8.068661478508  1.987873627425  -0.134287574857  -0.018273042183  0.051017029276  0.003565012380  -0.004196498611  -0.004907325346
  19  Al  6.086787037226  2.061121374934  8.054950046066  -0.110479270259  -0.115173364911  0.002389406854  0.001471094140  0.004716012631  -0.006008596725
  20  Al  4.060748767228  0.039331010446  4.053677639430  -0.053698515398  -0.126603993458  -0.027086520917  0.001385416394  0.005131115698  0.000466517452
  21  Al  4.058057538354  2.013835104826  6.082680771141  0.021399543403  0.047016878188  0.077897252367  0.001093141497  -0.001447680000  0.001095099996
  22  Al  6.075367217233  0.002920138987  6.079235862771  0.015794146962  0.132228707788  0.046118086388  0.000064500865  0.000509352930  0.000607144413
  23  Al  6.103647004651  2.030711478755  4.039667375343  -0.087252958244  -0.007369909081  0.141744834926  0.003741544993  0.000754983064  -0.001248439822
  24  Al  4.057023419735  4.046134699453  0.040237998807  0.054723747471  -0.042719157530  -0.117450341436  0.000985940957  -0.000552753010  0.005262600277
  25  Al  4.036780153860  6.110907149308  2.059027038944  0.028460343011  -0.068975205626  -0.069662329281  -0.001740447774  0.004724121244  0.004476878391
  26  Al  6.056197174602  4.076944715045  2.000142754072  -0.005741678926  0.032976695066  0.045725169649  -0.002514868495  0.003624594679  -0.003277080919
  27  Al  6.060584355708  6.091168143421  0.032730795697  0.019129108781  -0.061784618452  -0.058117456992  -0.001902801857  0.002100263939  0.004315761884
  28  Al  4.057660740735  4.065101751176  4.077193154740  -0.020408021867  -0.006250327360  -0.124842314118  0.001002535222  0.002006073405  0.003510477257
  29  Al  4.018576870196  6.085258747077  6.122508322006  0.167842443463  -0.027305013745  -0.110750998007  -0.004036209895  0.001343315297  0.006231714098
  30  Al  6.083632955507  4.017162530998  6.081717273597  -0.005300456916  0.030069048996  0.022544213325  0.001147031322  -0.004354520223  0.000922981558
  31  Al  6.105210734285  6.061517998500  4.047042672674  -0.065838081508  0.038993621423  -0.088459001942  0.003968371680  -0.001763777497  -0.000472933031


MDSTEP:  16
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.432212399095  -0.058889337248  0.007899681045
  -0.058889337248  -82.528328004058  -0.272921345398
  0.007899681045  -0.272921345398  -81.427551502623
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.064958849392  8.089767070355  8.083706254264  0.097820349684  0.009053288625  -0.074472819757  -0.004287417184  -0.001271378093  -0.002107976701
  1  Al  8.083617012423  2.001211041354  1.993161933567  0.094199922832  0.056216252756  0.000759287558  -0.001956011252  -0.002920777963  -0.003978707543
  2  Al  2.005013389450  8.067247733868  2.007416154306  0.045393630999  0.002334085114  0.075226606561  -0.002454370970  -0.004097008416  -0.002124249542
  3  Al  2.003608949221  2.014959432551  8.094008178981  0.020918675915  -0.014378392727  -0.127948049084  -0.002651745512  -0.001268897629  -0.000873855280
  4  Al  0.005681153493  8.074810751026  4.100843439344  0.076899356127  0.010910675337  -0.141493891286  0.000784699881  -0.003138035322  0.006221631072
  5  Al  0.004559838291  2.024483815431  6.094308846954  -0.013463684172  -0.024057889926  -0.050835096485  0.000555793713  -0.000085649834  0.002366022636
  6  Al  2.015863611185  8.094838927455  6.067607467787  -0.045360941916  0.128836102904  0.028418169966  -0.001187742396  -0.000520362281  -0.000899045899
  7  Al  2.022567259307  2.031966682955  4.069737496940  -0.016186204833  -0.052197722562  0.032437922870  -0.000320415311  0.000819637450  0.002498508555
  8  Al  8.086209144377  4.080696421053  8.056213846543  -0.003948542019  -0.087351892361  0.079772931379  -0.001726785329  0.003753356203  -0.005396798284
  9  Al  0.010081924692  6.070862185970  2.021794993064  0.003947457373  -0.003256098271  0.061933069008  0.001267630128  -0.000519594309  -0.000339827643
  10  Al  2.044521105713  4.013796444359  2.019896483681  -0.041473653441  0.228490413702  0.093212559284  0.002402644215  -0.004302823985  -0.000549950926
  11  Al  2.032689599884  6.085682375377  0.036359418928  -0.072708638384  0.012673440021  0.082048844398  0.000889470111  0.001350613399  0.004627719210
  12  Al  8.081975053899  4.061722827144  4.022083575357  0.119508827789  0.013638456051  0.112273884453  -0.002138070422  0.001482726054  -0.003380390514
  13  Al  0.002852085746  6.063403656639  6.045256784266  -0.004070629011  0.013397211427  0.058928106346  0.000356924018  -0.001435891458  -0.003660899978
  14  Al  2.019443321625  4.037396684735  6.087997501960  -0.068554831691  -0.093320932898  -0.070064585373  -0.000763103870  -0.001665253605  0.001558897763
  15  Al  2.056270640692  6.079799622198  4.017203824852  -0.137468446655  -0.050639570814  -0.028752603743  0.003776789697  0.000551943922  -0.004132714646
  16  Al  4.087090468680  0.039733978286  8.098494794111  -0.016322085165  -0.005845783978  0.105830964646  0.004618892815  0.004964311941  -0.000086067526
  17  Al  4.005917028128  1.990491572293  2.019681876016  0.150501647798  0.060517438241  -0.014175691453  -0.005364784961  -0.004255921830  -0.000678464272
  18  Al  6.104414800569  8.066562412404  1.985422245195  -0.143511260645  -0.018048811677  0.055306594617  0.003540177364  -0.004199745758  -0.004897820091
  19  Al  6.087517645912  2.063474233042  8.051945854509  -0.117451773938  -0.123238505793  0.004581322203  0.001450717269  0.004694698782  -0.006007973547
  20  Al  4.061439075121  0.041890909142  4.053909687398  -0.057394296256  -0.134728983018  -0.029077019164  0.001375484777  0.005107752718  0.000461496472
  21  Al  4.058605065654  2.013113366463  6.083231803118  0.022789365550  0.051048546115  0.082827850433  0.001097091953  -0.001438913022  0.001109468704
  22  Al  6.075400173658  0.003180726028  6.079541496440  0.016032830266  0.140632060170  0.049042145054  0.000067346173  0.000533746487  0.000615651669
  23  Al  6.105513876971  2.031088640854  4.039049491375  -0.093558253568  -0.007398307939  0.150116155481  0.003725380601  0.000753662796  -0.001222347660
  24  Al  4.057518836346  4.045856413417  0.042864048958  0.058277224110  -0.046167308435  -0.126141443051  0.000996043162  -0.000560699396  0.005240823347
  25  Al  4.035911202140  6.113266126763  2.061262364258  0.031611734448  -0.073203821212  -0.075104373291  -0.001735077373  0.004711410542  0.004463936352
  26  Al  6.054939483703  4.078758486431  1.998506257511  -0.005570995054  0.033733933229  0.049731980263  -0.002515879840  0.003630558562  -0.003268547118
  27  Al  6.059633809844  6.092215513640  0.034886078810  0.019432810160  -0.066410473849  -0.063416274963  -0.001899354449  0.002088803390  0.004304896856
  28  Al  4.058161096115  4.066104508491  4.078942812963  -0.021425756803  -0.006506242502  -0.131933889885  0.000998795312  0.002004932977  0.003487521649
  29  Al  4.016566267745  6.085929184202  6.125619228525  0.178071715323  -0.029502673040  -0.116845834328  -0.004005285418  0.001338236731  0.006211367105
  30  Al  6.084206234240  4.014986614962  6.082179772095  -0.006341824178  0.033121375647  0.022089855255  0.001145990511  -0.004348871044  0.000926971812
  31  Al  6.107191977187  6.060637852753  4.046802252073  -0.070593730646  0.041650131663  -0.094276677912  0.003956174775  -0.001756568004  -0.000489269469


MDSTEP:  17
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.318464401156  -0.065633181569  0.009230269979
  -0.065633181569  -82.423933625194  -0.307021727726
  0.009230269979  -0.307021727726  -81.183956185144
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.062819513335  8.089131785987  8.082648937005  0.106385107945  0.010015601850  -0.077966089657  -0.004269161363  -0.001269673348  -0.002121604630
  1  Al  8.082643217499  1.999753165219  1.991172613736  0.101878753428  0.058786619165  0.002484835422  -0.001938481959  -0.002910496789  -0.003978417520
  2  Al  2.003788233044  8.065199333993  2.006357392137  0.046100506948  0.004657072188  0.080650404773  -0.002446191459  -0.004096383411  -0.002110314250
  3  Al  2.002284011522  2.014324341027  8.093565532109  0.019782752122  -0.016549734871  -0.133787381562  -0.002648106833  -0.001271662582  -0.000897254240
  4  Al  0.006076940807  8.073242221069  4.103947930154  0.083144970935  0.012212427773  -0.151900667228  0.000799007729  -0.003135968133  0.006195401810
  5  Al  0.004837133325  2.024439915135  6.095489585961  -0.011839098682  -0.027123482043  -0.055654584701  0.000553531662  -0.000090225412  0.002356502535
  6  Al  2.015267712369  8.094584505242  6.067159215120  -0.049160549610  0.136514041349  0.029771449766  -0.001196192550  -0.000496640169  -0.000893843789
  7  Al  2.022406328134  2.032374168461  4.070988201181  -0.019131715198  -0.056118213799  0.033163941306  -0.000323572707  0.000809954083  0.002504373314
  8  Al  8.085345575214  4.082569194557  8.053519013222  -0.002088683040  -0.092624341121  0.085853554457  -0.001727325052  0.003737266457  -0.005381991396
  9  Al  0.010715916206  6.070602243269  2.021627847629  0.005309430168  -0.002443488456  0.066432611634  0.001268457687  -0.000520103848  -0.000328351843
  10  Al  2.045720573963  4.011655245805  2.019625674786  -0.046708148779  0.241216528938  0.100603079109  0.002394760826  -0.004260832523  -0.000532623947
  11  Al  2.033131084890  6.086358248574  0.038676946087  -0.078391412151  0.013798164434  0.086684474955  0.000875961875  0.001352979941  0.004642803848
  12  Al  8.080911360689  4.062464799805  4.020398398702  0.129185494626  0.012812981100  0.117765278910  -0.002115837329  0.001485090793  -0.003359825178
  13  Al  0.003030365799  6.062686309760  6.043428968342  -0.003349596960  0.015328529871  0.061495033781  0.000356260655  -0.001433323398  -0.003650134236
  14  Al  2.019058705314  4.036559886521  6.088773818980  -0.073907177895  -0.098825482096  -0.076155128177  -0.000775839871  -0.001682431356  0.001545825826
  15  Al  2.058152890750  6.080073330588  4.015136182298  -0.147603483893  -0.052880090574  -0.029504568008  0.003751304471  0.000542689338  -0.004137922796
  16  Al  4.089399185496  0.042215872952  8.098456490954  -0.019015744487  -0.007300588940  0.112979340558  0.004615733638  0.004963136665  -0.000066506042
  17  Al  4.003241363017  1.988366316486  2.019342010232  0.157016702534  0.063264746596  -0.013670533881  -0.005337293041  -0.004244855792  -0.000680953704
  18  Al  6.106178474349  8.064461732750  1.982975807334  -0.150148407358  -0.017890206004  0.061247156321  0.003513924401  -0.004202958681  -0.004887400269
  19  Al  6.088237754495  2.065816073716  8.048942072519  -0.122102240256  -0.133026342057  0.007611696282  0.001429301312  0.004671788889  -0.006006883500
  20  Al  4.062124252005  0.044438763164  4.054139135902  -0.063035223369  -0.143160093524  -0.031642787571  0.001364718465  0.005082909634  0.000456068165
  21  Al  4.059154630307  2.012396191804  6.083790239846  0.022185892381  0.053406885353  0.086289307890  0.001101112709  -0.001429574781  0.001124587657
  22  Al  6.075434563406  0.003453885473  6.079851514441  0.018386769957  0.148798252183  0.050547610371  0.000070423261  0.000559621348  0.000624554922
  23  Al  6.107372385251  2.031465141551  4.038445027683  -0.097098596671  -0.008993552392  0.157565806839  0.003708336016  0.000752197375  -0.001194841114
  24  Al  4.058019462898  4.045574000057  0.045478822154  0.059603527802  -0.049199881196  -0.133798598198  0.001006581617  -0.000569225154  0.005217584894
  25  Al  4.035045076487  6.115618559850  2.063490975295  0.032594403099  -0.075985706853  -0.079556557868  -0.001729337391  0.004698073105  0.004450109776
  26  Al  6.053681294762  4.080575273607  1.996874206953  -0.002886608283  0.034489152750  0.055324372135  -0.002516635944  0.003636657656  -0.003259155156
  27  Al  6.058685001259  6.093256946811  0.037035692553  0.021829641974  -0.069203985587  -0.067912082695  -0.001895665615  0.002076679555  0.004293156195
  28  Al  4.058659536047  4.067106684153  4.080680676390  -0.024817123076  -0.006461616895  -0.139815291317  0.000994661232  0.002003773660  0.003463227468
  29  Al  4.014571584777  6.086596983808  6.128719689110  0.185858431565  -0.029888573220  -0.124062848018  -0.003972750325  0.001332927196  0.006189830042
  30  Al  6.084778946018  4.012813659954  6.082644245409  -0.005031419050  0.036179638685  0.019893227939  0.001144973751  -0.004342675584  0.000930725069
  31  Al  6.109166909060  6.059761430497  4.046553403205  -0.072947156725  0.046194737395  -0.100936063566  0.003943342323  -0.001748714735  -0.000506721348


MDSTEP:  18
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.197211564680  -0.072560081091  0.010955125223
  -0.072560081091  -82.313363126273  -0.342405638323
  0.010955125223  -0.342405638323  -80.928247871819
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.060689688030  8.088497397007  8.081584649634  0.110339217284  0.010055747787  -0.083453939939  -0.004249786364  -0.001267878984  -0.002136035464
  1  Al  8.081678530463  1.998300544565  1.989183516047  0.104880597743  0.064342895552  0.000942128414  -0.001919997822  -0.002899489099  -0.003978111152
  2  Al  2.002567197991  8.063151350456  2.005305840056  0.049976307417  0.005862260889  0.083587243179  -0.002437602261  -0.004095442990  -0.002095631522
  3  Al  2.000960842387  2.013687769969  8.093110924741  0.021992060844  -0.015399710463  -0.141892242180  -0.002644372195  -0.001274518839  -0.000921899800
  4  Al  0.006480161221  8.071674782893  4.107038841154  0.085632669846  0.012270349643  -0.159713963206  0.000814096328  -0.003133779390  0.006167543686
  5  Al  0.005113369953  2.024393590019  6.096665349489  -0.014448232954  -0.027324684700  -0.057628620135  0.000551181593  -0.000095093039  0.002346375098
  6  Al  2.014667418635  8.094342287286  6.066713623998  -0.049528874309  0.142923244843  0.033520984990  -0.001205015313  -0.000471658677  -0.000888185490
  7  Al  2.022243686600  2.032776637038  4.072241870255  -0.018327508551  -0.057346380241  0.036264640717  -0.000326921535  0.000799810430  0.002510580180
  8  Al  8.084481819324  4.084433687510  8.050831855147  -0.004620303899  -0.097065334600  0.089514871250  -0.001727924831  0.003720308337  -0.005366313585
  9  Al  0.011350382379  6.070342082122  2.021466641221  0.002178378263  -0.004424152362  0.068275586036  0.001269127092  -0.000520717810  -0.000316309027
  10  Al  2.046915866538  4.009535611836  2.019363859734  -0.048449351005  0.254663796478  0.105252131656  0.002386253814  -0.004216501179  -0.000514220639
  11  Al  2.033565561759  6.087035355318  0.041002222776  -0.080680280689  0.011797999408  0.088371054866  0.000861740980  0.001355268220  0.004658453686
  12  Al  8.079859216570  4.063207917938  4.018723750179  0.134034702551  0.013234744146  0.125532259881  -0.002092305633  0.001487419441  -0.003338074553
  13  Al  0.003208346401  6.061970333241  6.041606650030  -0.007107270184  0.014012310732  0.066693603340  0.000355325818  -0.001430700348  -0.003638674265
  14  Al  2.018667481754  4.035714253380  6.089543327786  -0.075629187955  -0.103035439635  -0.079089482569  -0.000789208315  -0.001700477577  0.001531947069
  15  Al  2.060021945163  6.080342311536  4.013065902057  -0.154422291845  -0.057612631305  -0.027760562424  0.003724303584  0.000532811368  -0.004143042257
  16  Al  4.091706202318  0.044697114950  8.098428288069  -0.017139204253  -0.009538838849  0.117811618853  0.004612501412  0.004961631232  -0.000045873497
  17  Al  4.000579735086  1.986246716501  2.019000922312  0.168283974601  0.068991686459  -0.015880854165  -0.005308211395  -0.004233032162  -0.000683595577
  18  Al  6.107928724970  8.062359453724  1.980534844925  -0.160305200202  -0.018433511162  0.064014169645  0.003486170072  -0.004206205995  -0.004876201997
  19  Al  6.088946947225  2.068146021931  8.045938971009  -0.130134902434  -0.139982194228  0.009222807803  0.001406751493  0.004647382122  -0.006005378507
  20  Al  4.062803793585  0.046973818776  4.054365755564  -0.064682626436  -0.152165663375  -0.031921086793  0.001353300581  0.005056507724  0.000450385601
  21  Al  4.059706178363  2.011683791682  6.084356390775  0.025816897688  0.058957358995  0.092400676046  0.001105404124  -0.001419529499  0.001140562413
  22  Al  6.075470596919  0.003740347376  6.080166051361  0.017312599733  0.155780353490  0.054908307269  0.000073614759  0.000586850456  0.000633982605
  23  Al  6.109222212987  2.031840838229  4.037854650261  -0.104501746515  -0.007330052900  0.167008994912  0.003690313090  0.000750738057  -0.001165824360
  24  Al  4.058525417962  4.045287188263  0.048081633852  0.065097691553  -0.051650435032  -0.144252103348  0.001017729816  -0.000578241100  0.005192727361
  25  Al  4.034181864749  6.117964199869  2.065712474034  0.038228897516  -0.081584933148  -0.086471897957  -0.001723005839  0.004683986403  0.004435266951
  26  Al  6.052422847760  4.082395144088  1.995247102355  -0.003378475798  0.035880951394  0.058464270242  -0.002517196038  0.003642948693  -0.003248982533
  27  Al  6.057738144228  6.094292193195  0.039179235005  0.020974870134  -0.075022750171  -0.075162014515  -0.001891838923  0.002063785788  0.004280365474
  28  Al  4.059155757347  4.068108282151  4.082406040431  -0.023456117523  -0.005525630641  -0.145078811075  0.000990345639  0.002002702008  0.003437758140
  29  Al  4.012593517420  6.087262111398  6.131809058567  0.197930979157  -0.033501885863  -0.128410598150  -0.003938439828  0.001327260135  0.006167259097
  30  Al  6.085351207991  4.010643939379  6.083110497164  -0.007213380439  0.041018272241  0.019976953999  0.001143879075  -0.004335774146  0.000934289435
  31  Al  6.111135319510  6.058889138017  4.046295530725  -0.078654889342  0.047152256617  -0.105046126641  0.003929789209  -0.001740369581  -0.000525136008


MDSTEP:  19
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.070540173012  -0.080267077435  0.012125375383
  -0.080267077435  -82.196663764093  -0.379335088874
  0.012125375383  -0.379335088874  -80.658230360319
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.058569726971  8.087863907003  8.080512901541  0.119371913744  0.011101518000  -0.087091572136  -0.004229250354  -0.001265987540  -0.002151282110
  1  Al  8.080723219677  1.996853676120  1.987194502583  0.112661432504  0.066021938350  0.002691966493  -0.001900549721  -0.002887834577  -0.003977786267
  2  Al  2.001350630783  8.061103891002  2.004261760615  0.049684740687  0.008733376233  0.089133286501  -0.002428692635  -0.004094138151  -0.002080190431
  3  Al  1.999639639327  2.013049822188  8.092643632309  0.019388938322  -0.018608710220  -0.147565966291  -0.002640672764  -0.001277559167  -0.000947777155
  4  Al  0.006891037135  8.070108441678  4.110115473840  0.092000133414  0.013364051447  -0.169627407505  0.000829976573  -0.003131487693  0.006138100804
  5  Al  0.005388314919  2.024344822096  6.097835961060  -0.012425201452  -0.031516998328  -0.062802870782  0.000548779128  -0.000100353443  0.002335608610
  6  Al  2.014062697056  8.094112846566  6.066271029629  -0.054087036883  0.149918681096  0.034581893831  -0.001214278501  -0.000445478819  -0.000882097142
  7  Al  2.022079406599  2.033173978891  4.073498781361  -0.021967028029  -0.062090316362  0.037095079968  -0.000330523837  0.000789132875  0.002517138486
  8  Al  8.083617650383  4.086289502893  8.048152699637  -0.002461618781  -0.102366096860  0.095413264190  -0.001728557950  0.003702479310  -0.005349781142
  9  Al  0.011985043298  6.070081525459  2.021311538601  0.003395541059  -0.002646239708  0.073040146435  0.001269625396  -0.000521349898  -0.000303675503
  10  Al  2.048106827776  4.007438744627  2.019111454147  -0.054984407736  0.266857875610  0.113138838289  0.002377006910  -0.004169877516  -0.000494696644
  11  Al  2.033992825870  6.087713516794  0.043335399773  -0.087145928102  0.013845968009  0.091932069903  0.000846737438  0.001357560772  0.004674572656
  12  Al  8.078819055056  4.063952219247  4.017060324149  0.143830181918  0.012302607047  0.131103128319  -0.002067464712  0.001489702462  -0.003315131534
  13  Al  0.003385691618  6.061255609412  6.039790294077  -0.006316861197  0.017085382954  0.068710908875  0.000354125711  -0.001427920236  -0.003626569199
  14  Al  2.018269496999  4.034859408944  6.090305766049  -0.081530345670  -0.108050847130  -0.085532465266  -0.000803258264  -0.001719348539  0.001517229985
  15  Al  2.061877194334  6.080606141957  4.010993140041  -0.165535654504  -0.058780774103  -0.027394416808  0.003695699574  0.000522405882  -0.004147973072
  16  Al  4.094011686908  0.047177504183  8.098410617457  -0.019873578377  -0.011566573100  0.124547833310  0.004609192496  0.004959744423  -0.000024206736
  17  Al  3.997933151622  1.984133284324  2.018658414655  0.174413474609  0.070366449505  -0.014640477634  -0.005277574490  -0.004220573645  -0.000686324162
  18  Al  6.109664644421  8.060255526755  1.978099605337  -0.165985686101  -0.017782254832  0.070508937038  0.003456999901  -0.004209443658  -0.004864175728
  19  Al  6.089644505988  2.070463455838  8.042936694012  -0.133497401936  -0.150951307068  0.012697455655  0.001383182955  0.004621372876  -0.006003418851
  20  Al  4.063477552586  0.049495270888  4.054589521503  -0.070609302487  -0.160383763612  -0.034269814248  0.001341205580  0.005028566030  0.000444468182
  21  Al  4.060260034431  2.010976662305  6.084930802258  0.025000202377  0.060555593241  0.095209490666  0.001109947136  -0.001408845127  0.001157334627
  22  Al  6.075508178165  0.004040735930  6.080485497045  0.020509123083  0.163388398082  0.055968138050  0.000076995994  0.000615383913  0.000643894879
  23  Al  6.111062698341  2.032215879607  4.037279203323  -0.107114734532  -0.010007289686  0.174290146138  0.003671394729  0.000749188111  -0.001135312463
  24  Al  4.059037192714  4.044995758957  0.050671549515  0.066216995053  -0.054460914911  -0.152838929482  0.001029469254  -0.000587727378  0.005166167637
  25  Al  4.033322070648  6.120302546253  2.067926242247  0.039406420654  -0.083123295442  -0.090703130509  -0.001716065297  0.004669261606  0.004419427631
  26  Al  6.051164098724  4.084218222300  1.993625224420  0.000725598831  0.036530557156  0.064758863179  -0.002517433203  0.003649422230  -0.003237966474
  27  Al  6.056793162336  6.095320732599  0.041316058027  0.024038926561  -0.076884094319  -0.080488473155  -0.001887814722  0.002050205426  0.004266450432
  28  Al  4.059649881686  4.069109386161  4.084118434530  -0.027124023842  -0.005334755500  -0.152145473623  0.000985823811  0.002001731098  0.003411186503
  29  Al  4.010633144949  6.087924243943  6.134886948208  0.205037292986  -0.032916592398  -0.135444750605  -0.003902414755  0.001321322371  0.006143670619
  30  Al  6.085922825092  4.008477885808  6.083578534844  -0.005228391581  0.044735913262  0.016917300508  0.001142766789  -0.004328107783  0.000937587755
  31  Al  6.113096698269  6.058021060915  4.046028267197  -0.079793714593  0.052662513587  -0.111192999305  0.003915624018  -0.001731446213  -0.000544467630


MDSTEP:  20
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -81.936202253638  -0.087355273903  0.014522931953
  -0.087355273903  -82.073713016806  -0.418068100255
  0.014522931953  -0.418068100255  -80.376189631034
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.056460437676  8.087231409467  8.079433367524  0.124808307900  0.011848898602  -0.091278116689  -0.004207420818  -0.001263935789  -0.002167228232
  1  Al  8.079777980742  1.995412709988  1.985205729780  0.116936845719  0.071059191772  0.002379474660  -0.001880023800  -0.002875579622  -0.003977332884
  2  Al  2.000138505355  8.059057212305  2.003225649625  0.052906399198  0.011512677338  0.092798007386  -0.002419521061  -0.004092328168  -0.002063925905
  3  Al  1.998320169623  2.012410210802  8.092163147586  0.020916131432  -0.018206450892  -0.153894865005  -0.002637069519  -0.001280850416  -0.000974727536
  4  Al  0.007310137794  8.068543295200  4.113176941958  0.095430363746  0.014402991192  -0.178868032850  0.000846732724  -0.003129005340  0.006106945563
  5  Al  0.005662149081  2.024293236576  6.099000958099  -0.013651188356  -0.032345880419  -0.065822175588  0.000546447917  -0.000106062738  0.002324109623
  6  Al  2.013453140134  8.093896808467  6.065831526856  -0.054642136095  0.156684885512  0.037722857461  -0.001223998811  -0.000418068681  -0.000875633149
  7  Al  2.021913162762  2.033565769913  4.074759008741  -0.021806398120  -0.063680983008  0.038672994111  -0.000334437150  0.000777889011  0.002523912097
  8  Al  8.082753261375  4.088136166821  8.045482074005  -0.003756345098  -0.107341646168  0.100345906119  -0.001729113831  0.003683731589  -0.005332280413
  9  Al  0.012620007775  6.069820732224  2.021162965718  0.001314929972  -0.004094808745  0.075459550164  0.001270046509  -0.000521952543  -0.000290399737
  10  Al  2.049292873448  4.005365734320  2.018869163090  -0.057461284560  0.278981757482  0.118725458387  0.002366954346  -0.004121079846  -0.000473968143
  11  Al  2.034412299198  6.088392916090  0.045676795431  -0.089652726106  0.012224458215  0.094185688422  0.000830931766  0.001359891449  0.004691211449
  12  Al  8.077791751858  4.064697620400  4.015408618645  0.150076252756  0.011364456621  0.137435633041  -0.002041189688  0.001491818281  -0.003291124362
  13  Al  0.003562472112  6.060542413004  6.037980080831  -0.009011350648  0.016429749870  0.073188217450  0.000352755380  -0.001424924008  -0.003613883519
  14  Al  2.017864223490  4.033994904841  6.091060557771  -0.083487701366  -0.112667311253  -0.089571909931  -0.000818010759  -0.001739080584  0.001501575780
  15  Al  2.063717644737  6.080864717418  4.008917928984  -0.172690253838  -0.063045951807  -0.026069991195  0.003665462421  0.000511514660  -0.004152752752
  16  Al  4.096315394814  0.049656859373  8.098404081332  -0.019404946097  -0.013708506784  0.130259162785  0.004605681024  0.004957484849  -0.000001427174
  17  Al  3.995302160597  1.982026142856  2.018314598150  0.183881045719  0.075582506321  -0.015820516247  -0.005245543217  -0.004207525913  -0.000689047353
  18  Al  6.111385724871  8.058150010065  1.975670669197  -0.175281851743  -0.017154257965  0.074698477841  0.003426490829  -0.004212566957  -0.004851194290
  19  Al  6.090330130180  2.072767394807  8.039935552158  -0.140647173055  -0.158609085345  0.015987366958  0.001358674627  0.004593698400  -0.006000854449
  20  Al  4.064144999165  0.052002384807  4.054810223745  -0.073461405121  -0.168787156172  -0.035543465227  0.001328325762  0.004999138387  0.000438226925
  21  Al  4.060816125499  2.010274946555  6.085513725402  0.027281701163  0.065608876742  0.100154713238  0.001114621101  -0.001397566114  0.001174800046
  22  Al  6.075547592912  0.004355731289  6.080809946241  0.019770305021  0.170589285198  0.059231556833  0.000080596946  0.000645241278  0.000654193649
  23  Al  6.112893607716  2.032590026340  4.036719337798  -0.113646699813  -0.009029569798  0.182156176776  0.003651658815  0.000747486229  -0.001103446418
  24  Al  4.059554887217  4.044699460885  0.053247801488  0.070388591734  -0.057288621266  -0.162233729889  0.001041681696  -0.000597717706  0.005138000368
  25  Al  4.032465799452  6.122633461475  2.070131901665  0.044075296946  -0.088044840131  -0.097180369927  -0.001708602092  0.004653959298  0.004402630982
  26  Al  6.049905414556  4.086044566318  1.992009135881  0.001168193755  0.036840622179  0.068924454856  -0.002517263899  0.003655981560  -0.003226015281
  27  Al  6.055850329507  6.096342398621  0.043445685437  0.023452852665  -0.082194356484  -0.087116842697  -0.001883568991  0.002035983927  0.004251466638
  28  Al  4.060141581157  4.070110013248  4.085817226934  -0.027243664567  -0.004974083168  -0.158121634149  0.000980963378  0.002000809495  0.003383448847
  29  Al  4.008691102665  6.088583433769  6.137952729186  0.215502995466  -0.035822469870  -0.140296961826  -0.003864818755  0.001315177148  0.006119019508
  30  Al  6.086493974780  4.006315831595  6.084048084919  -0.007022938399  0.049291391169  0.015640029704  0.001141671529  -0.004319701810  0.000940498357
  31  Al  6.115050943527  6.057157691804  4.045751063095  -0.085042150209  0.054574231062  -0.116147114970  0.003900887810  -0.001721859325  -0.000564791672


MDSTEP:  21
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -81.796105293527  -0.095147563742  0.016439440651
  -0.095147563742  -81.944469523886  -0.458208482059
  0.016439440651  -0.458208482059  -80.081263355128
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.054362306153  8.086599971214  8.078345673309  0.132595895415  0.012915120382  -0.094867035845  -0.004184409067  -0.001261721904  -0.002183869475
  1  Al  8.078843195877  1.993978096498  1.983217169699  0.123399242763  0.074011694619  0.003230040490  -0.001858537927  -0.002862610389  -0.003976831397
  2  Al  1.998931109722  8.057011562834  2.002197834710  0.054101448575  0.014948998463  0.097399128889  -0.002409954637  -0.004089962514  -0.002046922417
  3  Al  1.997002569807  2.011768971772  8.091668904773  0.020038450070  -0.019989893201  -0.159294745075  -0.002633408209  -0.001284265142  -0.001002726462
  4  Al  0.007737769859  8.066979436339  4.116222419403  0.100666806931  0.015833200794  -0.188949032476  0.000864263670  -0.003126302246  0.006074062982
  5  Al  0.005934762836  2.024238759358  6.100160070683  -0.012567803033  -0.035297219959  -0.070035941964  0.000544103958  -0.000112109983  0.002311964005
  6  Al  2.012838698245  8.093694777884  6.065395396480  -0.057061515853  0.163442311421  0.040007850312  -0.001233985037  -0.000389449540  -0.000868684080
  7  Al  2.021744969449  2.033951867902  4.076022693458  -0.023733664288  -0.067177704642  0.039435664686  -0.000338508399  0.000766190339  0.002530894955
  8  Al  8.081888536552  4.089973234482  8.042820419224  -0.002647442813  -0.112547101639  0.106181258615  -0.001729686325  0.003664073693  -0.005313817034
  9  Al  0.013255089807  6.069559572916  2.021021138865  0.001335305709  -0.003525343556  0.078928057351  0.001270283438  -0.000522633779  -0.000276597596
  10  Al  2.050473782122  4.003317664781  2.018637486004  -0.062348590469  0.290640467261  0.125417621967  0.002356243429  -0.004070156029  -0.000452141927
  11  Al  2.034823757636  6.089073408243  0.048026611222  -0.094103744653  0.012659824357  0.096864221193  0.000814504069  0.001362116086  0.004708291174
  12  Al  8.076777865368  4.065444037527  4.013769199787  0.158669595921  0.009981221656  0.143063338479  -0.002013588032  0.001493726569  -0.003266047956
  13  Al  0.003738446997  6.059830685405  6.036176410559  -0.009621129807  0.018032748290  0.076572042220  0.000351089649  -0.001421843085  -0.003600495059
  14  Al  2.017451486241  4.033120328361  6.091807341829  -0.087410981281  -0.117356403967  -0.094986540319  -0.000833288978  -0.001759644538  0.001485076388
  15  Al  2.065542656756  6.081117656617  4.006840387289  -0.181809699329  -0.065461662071  -0.025007416784  0.003633770381  0.000500026172  -0.004157319036
  16  Al  4.098617367932  0.052134989033  8.098409190283  -0.021118621037  -0.016084072857  0.136540257605  0.004602058246  0.004954821414  0.000022424502
  17  Al  3.992687608405  1.979925758410  2.017969367302  0.191039147135  0.078492586473  -0.015558261957  -0.005212025622  -0.004193751711  -0.000691852593
  18  Al  6.113091135250  8.056042959797  1.973248411047  -0.182345245806  -0.015938622997  0.080351268893  0.003394519224  -0.004215525437  -0.004837332954
  19  Al  6.091003180616  2.075057154238  8.036935839563  -0.145282034484  -0.168653096983  0.020342431513  0.001333112762  0.004564441396  -0.005997606591
  20  Al  4.064805878348  0.054494409275  4.055027748428  -0.078327129020  -0.177014111885  -0.037496788783  0.001314755976  0.004968224002  0.000431697179
  21  Al  4.061374655531  2.009579096191  6.086105602304  0.027233344794  0.068421850344  0.103660458334  0.001119494706  -0.001385583864  0.001193020975
  22  Al  6.075588775111  0.004685977207  6.081139690694  0.021050711108  0.177684770126  0.061241561162  0.000084246315  0.000676376727  0.000664963859
  23  Al  6.114714357157  2.032963365836  4.036175756905  -0.117952735517  -0.010245712135  0.189043260010  0.003630953993  0.000745763033  -0.001070261455
  24  Al  4.060078874409  4.044398041251  0.055809549883  0.072183839548  -0.060010565387  -0.171022685301  0.001054427568  -0.000608204169  0.005108207484
  25  Al  4.031613468556  6.124956505551  2.072328873228  0.046513777123  -0.090677979865  -0.102630144176  -0.001700503494  0.004637981607  0.004384768065
  26  Al  6.048646834825  4.087874203860  1.990399209139  0.003907180875  0.036653625206  0.074518904336  -0.002516810165  0.003662551893  -0.003213191548
  27  Al  6.054909593346  6.097356716526  0.045567524665  0.024763571637  -0.085231079660  -0.093375645039  -0.001879258477  0.002021016213  0.004235330739
  28  Al  4.060630845065  4.071110195656  4.087501883377  -0.029699430601  -0.004734364060  -0.164669347536  0.000975872707  0.001999941567  0.003354591566
  29  Al  4.006768326194  6.089239421091  6.141005967716  0.223414129522  -0.036446166214  -0.146102369470  -0.003825579880  0.001308716384  0.006093415614
  30  Al  6.087064496621  4.004158183998  6.084519033201  -0.006713379460  0.053788113391  0.012838694584  0.001140443512  -0.004310486577  0.000943044334
  31  Al  6.116997586079  6.056299201590  4.045463475525  -0.088169299675  0.058884568293  -0.121640105915  0.003885402831  -0.001711716190  -0.000586049679


MDSTEP:  22
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -81.648219264882  -0.102380053349  0.019514531781
  -0.102380053349  -81.809190391385  -0.499370704478
  0.019514531781  -0.499370704478  -79.775065366216
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.052276028608  8.085969687564  8.077249498050  0.136867246770  0.013713215522  -0.098840101981  -0.004160319256  -0.001259341349  -0.002201186753
  1  Al  8.077919442815  1.992550099599  1.981228898383  0.126364152162  0.079789201143  0.002166554678  -0.001836209259  -0.002848860700  -0.003976348945
  2  Al  1.997728550718  8.054967249792  2.001178727208  0.058449093856  0.018379387885  0.100467133783  -0.002399892699  -0.004086982980  -0.002029233316
  3  Al  1.995686761414  2.011125945660  8.091160421124  0.022893846530  -0.018745930774  -0.165202596954  -0.002629570093  -0.001287728097  -0.001031736291
  4  Al  0.008174401465  8.065416992954  4.119251004940  0.103146169253  0.017077417695  -0.198231928360  0.000882484404  -0.003123360060  0.006039449283
  5  Al  0.006206253039  2.024181126593  6.101312922104  -0.014827916563  -0.035378745172  -0.072493687693  0.000541654801  -0.000118428363  0.002299221959
  6  Al  2.012219155097  8.093507358927  6.064962842776  -0.055790342466  0.169631799013  0.043761203399  -0.001244073912  -0.000359672954  -0.000861195187
  7  Al  2.021574654363  2.034331960252  4.077289903696  -0.022115327432  -0.068069691652  0.040830874079  -0.000342607266  0.000754099319  0.002538070726
  8  Al  8.081023575049  4.091800240513  8.040168256971  -0.005133372411  -0.117473370095  0.111138263024  -0.001730381925  0.003643510028  -0.005294388825
  9  Al  0.013890291213  6.069298098445  2.020886368123  -0.002084631103  -0.005743014873  0.080457374077  0.001270216449  -0.000523462364  -0.000262348653
  10  Al  2.051649116878  4.001295578291  2.018417021163  -0.063724081263  0.302059250840  0.130328107060  0.002344972623  -0.004017169101  -0.000429278443
  11  Al  2.035226803267  6.089755032176  0.050385086605  -0.095074964927  0.010091678317  0.098050954854  0.000797591629  0.001364150054  0.004725716450
  12  Al  8.075778163826  4.066191346969  4.012142570689  0.163670387073  0.008706256619  0.149277358848  -0.001984771069  0.001495397216  -0.003239912908
  13  Al  0.003913561761  6.059120569919  6.034379585772  -0.013666444148  0.016478523586  0.081892989146  0.000349007757  -0.001418757802  -0.003586328400
  14  Al  2.017030934512  4.032235260302  6.092545634159  -0.087478328725  -0.121534940998  -0.098289280283  -0.000848923956  -0.001781001252  0.001467797668
  15  Al  2.067351415118  6.081364743590  4.004760609949  -0.187467229017  -0.070274608662  -0.022769397532  0.003600757289  0.000487891447  -0.004161590248
  16  Al  4.100917453060  0.054611680787  8.098426505835  -0.019577505466  -0.018459934188  0.141895127063  0.004598420042  0.004951733205  0.000047316425
  17  Al  3.990090134975  1.977832391145  2.017622745557  0.201562033272  0.084493795024  -0.017321837006  -0.005176927359  -0.004179180846  -0.000694792050
  18  Al  6.114780244095  8.053934484628  1.970833336243  -0.192748899126  -0.014699851635  0.083949156529  0.003360986077  -0.004218264495  -0.004822644614
  19  Al  6.091663242942  2.077331836203  8.033937945566  -0.153471759260  -0.175697311459  0.024538271494  0.001306404388  0.004533656718  -0.005993594289
  20  Al  4.065459755141  0.056970608809  4.055241920924  -0.080332725153  -0.185323013116  -0.038443959010  0.001300571900  0.004935831324  0.000424908131
  21  Al  4.061935620205  2.008889362691  6.086706746377  0.030385940095  0.074433454780  0.109073516154  0.001124645829  -0.001372812702  0.001212039240
  22  Al  6.075631839227  0.005032108016  6.081474910100  0.018732610036  0.184297610521  0.065101830501  0.000087802915  0.000708737692  0.000676258867
  23  Al  6.116524561708  2.033335789373  4.035649076343  -0.125791750351  -0.008370136976  0.196459004873  0.003609163411  0.000744098789  -0.001035797830
  24  Al  4.060609314785  4.044091256715  0.058356008973  0.077257817153  -0.062926459499  -0.181075167035  0.001067787545  -0.000619194651  0.005076730190
  25  Al  4.030765295959  6.127271443082  2.074516669730  0.052729624857  -0.096087817431  -0.109843791103  -0.001691631205  0.004621284879  0.004365773048
  26  Al  6.047388604392  4.089707118211  1.988795944333  0.003406947917  0.036362314325  0.078321524350  -0.002516156287  0.003669079466  -0.003199527724
  27  Al  6.053971071030  6.098363414834  0.047681016176  0.022759262920  -0.091396875654  -0.100901105497  -0.001875009970  0.002005225801  0.004217962537
  28  Al  4.061117453864  4.072109954815  4.089171818500  -0.028617027774  -0.004389330742  -0.170005638521  0.000970659257  0.001999125915  0.003324671863
  29  Al  4.004865522785  6.089892150153  6.144046144800  0.234649777705  -0.040139373163  -0.149965252296  -0.003784629297  0.001301869692  0.006066947382
  30  Al  6.087634418292  4.002005345019  6.084991129253  -0.010054430190  0.059227634929  0.011702890290  0.001138944482  -0.004300383050  0.000945238334
  31  Al  6.118936346358  6.055445975615  4.045165013416  -0.094918174224  0.059968865891  -0.126028390930  0.003869034943  -0.001701090778  -0.000608191064


MDSTEP:  23
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -81.495327942117  -0.110705272789  0.022091179414
  -0.110705272789  -81.667571392101  -0.542396934234
  0.022091179414  -0.542396934234  -79.456022657364
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.050201986897  8.085340629865  8.076144486556  0.144534673067  0.014440741203  -0.102475944387  -0.004135162127  -0.001256824406  -0.002219184263
  1  Al  8.077006986618  1.991129235797  1.979240820754  0.132481332872  0.082465137971  0.004118408114  -0.001813068659  -0.002834355279  -0.003975787074
  2  Al  1.996531217022  8.052924579854  2.000168601395  0.057970462370  0.022310693444  0.105880824424  -0.002389484875  -0.004083345316  -0.002010785957
  3  Al  1.994372999714  2.010481243675  8.090637168482  0.020101590193  -0.020888334140  -0.170248873425  -0.002625726332  -0.001291271371  -0.001061725411
  4  Al  0.008620254263  8.063856076279  4.122261868685  0.107743040742  0.018318972002  -0.208047397841  0.000901337747  -0.003120195648  0.006003128203
  5  Al  0.006476417637  2.024120330994  6.102459292642  -0.013819291521  -0.038772057851  -0.077907561905  0.000539093761  -0.000125057392  0.002285776195
  6  Al  2.011594624333  8.093335104930  6.064534201293  -0.059324336595  0.175328233468  0.045150228794  -0.001254365081  -0.000328833776  -0.000853246569
  7  Al  2.021402362183  2.034705967221  4.078560764184  -0.025646734855  -0.071798501281  0.041497667926  -0.000346877160  0.000741595203  0.002545430838
  8  Al  8.080158154627  4.093616744510  8.037526030399  -0.003990338733  -0.122269154664  0.116680496086  -0.001731197578  0.003622077219  -0.005274021992
  9  Al  0.014525306255  6.069036110553  2.020758790212  -0.002719333722  -0.004791877895  0.084734048296  0.001269786978  -0.000524404175  -0.000247580658
  10  Al  2.052818754746  3.999300495680  2.018208207561  -0.070467116270  0.313276074415  0.138017579506  0.002332976027  -0.003962158566  -0.000405288532
  11  Al  2.035621349265  6.090437558298  0.052752327673  -0.100628100380  0.010605606358  0.099432092042  0.000780095916  0.001366000377  0.004743371292
  12  Al  8.074793094299  4.066939434743  4.010529286880  0.171923694804  0.007208002449  0.154931034350  -0.001954769200  0.001496819939  -0.003212716896
  13  Al  0.004087454754  6.058411927602  6.032590082159  -0.014632256433  0.018483881646  0.084248060029  0.000346477873  -0.001415632188  -0.003571475509
  14  Al  2.016602562284  4.031339327108  6.093275139497  -0.092572798133  -0.125177302082  -0.104632537717  -0.000865020397  -0.001803057149  0.001449656604
  15  Al  2.069143414045  6.081605548064  4.002678797041  -0.197902155016  -0.072317333075  -0.020315726853  0.003566305543  0.000475143830  -0.004165442028
  16  Al  4.103215787974  0.057086722237  8.098456506708  -0.020880350754  -0.021978751425  0.147491639876  0.004594803139  0.004948118015  0.000073187394
  17  Al  3.987510681046  1.975746577565  2.017274575252  0.208554933494  0.086788003843  -0.015768796210  -0.005140263197  -0.004163868376  -0.000697750329
  18  Al  6.116452121327  8.051824695302  1.968425766433  -0.198019443415  -0.013255987142  0.090985387266  0.003326051669  -0.004220763727  -0.004807005592
  19  Al  6.092309585004  2.079590810956  8.030942245274  -0.156204068154  -0.186371578964  0.029349786687  0.001278719592  0.004501288019  -0.005988776735
  20  Al  4.066106450247  0.059430240599  4.055452656558  -0.084776767305  -0.193889602077  -0.039800780159  0.001285811230  0.004901929989  0.000417913107
  21  Al  4.062499301360  2.008206283489  6.087317641544  0.030589175946  0.076912016399  0.111204083101  0.001130096961  -0.001359282526  0.001231731899
  22  Al  6.075676578026  0.005394714899  6.081815949562  0.021206998522  0.190317920817  0.065837875668  0.000091373488  0.000742228051  0.000687964783
  23  Al  6.118323520568  2.033707464625  4.035139959075  -0.128294214327  -0.010139106901  0.203078572212  0.003586448309  0.000742444076  -0.001000079458
  24  Al  4.061146661954  4.043778846600  0.060886280073  0.079005409339  -0.064854891199  -0.190651422597  0.001081757365  -0.000630618212  0.005043498100
  25  Al  4.029921837352  6.129577790430  2.076694646277  0.055846162751  -0.098094987836  -0.114571722580  -0.001681924608  0.004603925076  0.004345710463
  26  Al  6.046130678538  4.091543283326  1.987199681415  0.008298816306  0.036134842419  0.085315263857  -0.002515109800  0.003675560659  -0.003184898713
  27  Al  6.053034583376  6.099361942327  0.049785487202  0.025226747311  -0.093858354275  -0.108110976628  -0.001870720055  0.001988664117  0.004199277008
  28  Al  4.061601504322  4.073109321571  4.090826555240  -0.030864166923  -0.003579449497  -0.175605537427  0.000965341681  0.001998413512  0.003293774472
  29  Al  4.002983696897  6.090541290783  6.147072915098  0.242267943529  -0.040261467412  -0.156282722503  -0.003741993196  0.001294681915  0.006039569033
  30  Al  6.088203441103  3.999857800948  6.085464271535  -0.008497371616  0.064802467667  0.007227994781  0.001137285964  -0.004289294848  0.000946930742
  31  Al  6.120866621021  6.054598110812  4.044855284460  -0.096512137092  0.064906143616  -0.130761042783  0.003851921211  -0.001689927042  -0.000631147855


MDSTEP:  24
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -81.334030474081  -0.118210954144  0.025483213870
  -0.118210954144  -81.520181846863  -0.585526281962
  0.025483213870  -0.585526281962  -79.126929159172
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.048140866481  8.084712863158  8.075030313787  0.150959440595  0.015558340410  -0.105570729988  -0.004108745166  -0.001254142510  -0.002237783486
  1  Al  8.076106374156  1.989715744320  1.977253111308  0.137394736841  0.086781890900  0.003474235662  -0.001788941933  -0.002819224716  -0.003975108297
  2  Al  1.995339065844  8.050883904476  1.999167941251  0.061142095650  0.027039866052  0.109171679198  -0.002378836298  -0.004078933411  -0.001991560418
  3  Al  1.993061035082  2.009834674289  8.090098695713  0.021418592329  -0.021405417372  -0.174693402332  -0.002622014457  -0.001295052402  -0.001092563002
  4  Al  0.009075739212  8.062296797306  4.125254133143  0.111958055765  0.020095536552  -0.218160338753  0.000920978867  -0.003116761419  0.005965025538
  5  Al  0.006745346800  2.024056069202  6.103598698300  -0.013946749130  -0.040418054898  -0.080713699390  0.000536611497  -0.000132136931  0.002271595569
  6  Al  2.010964790016  8.093178525151  6.064109596207  -0.058790251229  0.181269054002  0.048756160980  -0.001264924440  -0.000296954235  -0.000844851405
  7  Al  2.021227777204  2.035073555455  4.079835334534  -0.024945968680  -0.074032524680  0.041674147415  -0.000351400111  0.000728558014  0.002552866339
  8  Al  8.079292377471  4.095422317733  8.034894234980  -0.004542257941  -0.127428732417  0.122479798593  -0.001731960386  0.003599754408  -0.005252641233
  9  Al  0.015160078191  6.068773694270  2.020638787464  -0.004400652371  -0.005471817361  0.086236436342  0.001269150456  -0.000525321742  -0.000232296020
  10  Al  2.053982092904  3.997333419725  2.018011732632  -0.073141370804  0.323571247041  0.143459756260  0.002320137531  -0.003905224873  -0.000380124660
  11  Al  2.036006899183  6.091121032553  0.055128457898  -0.102546815028  0.009476119272  0.100491502572  0.000761932225  0.001367795668  0.004761244318
  12  Al  8.073823394626  4.067688166908  4.008929853793  0.178910034663  0.005160186388  0.160234339706  -0.001923404917  0.001497925646  -0.003184541339
  13  Al  0.004260039635  6.057704937731  6.030808110262  -0.016764722242  0.018533769815  0.089418275484  0.000343671006  -0.001412322837  -0.003555949864
  14  Al  2.016165914115  4.030432203153  6.093995290762  -0.093481128357  -0.129083882118  -0.108665099655  -0.000881653485  -0.001825787916  0.001430587949
  15  Al  2.070917720661  6.081839887420  4.000595167921  -0.204403354431  -0.075795436946  -0.017866896057  0.003530339720  0.000461902655  -0.004168855527
  16  Al  4.105512256199  0.059559798803  8.098499693229  -0.021386533340  -0.024715324144  0.153232006382  0.004591024510  0.004943943599  0.000100071872
  17  Al  3.984949871777  1.973668522769  2.016924995228  0.216685265956  0.091223392988  -0.016684194339  -0.005102247030  -0.004147954285  -0.000700651603
  18  Al  6.118106295764  8.049713720901  1.966026330652  -0.206939271802  -0.010989768015  0.095268629413  0.003289848651  -0.004222931280  -0.004790354617
  19  Al  6.092941962534  2.081833124223  8.027949168832  -0.162785846395  -0.195068341499  0.035108477660  0.001250202123  0.004467187565  -0.005983014213
  20  Al  4.066745566371  0.061872538798  4.055659834031  -0.088846556941  -0.201692239147  -0.041335915325  0.001270289429  0.004866565257  0.000410659545
  21  Al  4.063065717166  2.007530080165  6.087938478276  0.031694257853  0.081448689986  0.115644483366  0.001135665055  -0.001345125193  0.001252011997
  22  Al  6.075723212715  0.005774336067  6.082162874883  0.019817811615  0.196650310747  0.069310187939  0.000095041076  0.000776822732  0.000700046923
  23  Al  6.120111010017  2.034078233449  4.034648996885  -0.134951213650  -0.009658312087  0.209185113220  0.003562914357  0.000740674201  -0.000963223382
  24  Al  4.061691072150  4.043460638504  0.063399507073  0.082185876122  -0.067753536573  -0.200113729760  0.001096167750  -0.000642473310  0.005008563977
  25  Al  4.029083371351  6.131875368158  2.078862380193  0.060244966543  -0.101892424055  -0.121670095377  -0.001671546144  0.004586046345  0.004324590615
  26  Al  6.044873494592  4.093382678870  1.985611045621  0.009263422365  0.034927902187  0.089743390488  -0.002513539748  0.003681913618  -0.003169248595
  27  Al  6.052100350975  6.100352078951  0.051880293184  0.024216777543  -0.098473510675  -0.115625687398  -0.001866299840  0.001971469787  0.004179275111
  28  Al  4.062082795545  4.074108368327  4.092465592972  -0.031936274494  -0.003525492718  -0.181245068828  0.000959727367  0.001997778335  0.003261872285
  29  Al  4.001123529589  6.091186832068  6.150085713833  0.250940295109  -0.042310793585  -0.160200632058  -0.003697900734  0.001287300014  0.006011275649
  30  Al  6.088771704256  3.997716050171  6.085938059994  -0.010915435938  0.070417976225  0.005125057469  0.001135550473  -0.004277206238  0.000948035096
  31  Al  6.122788267569  6.053756048572  4.044533865561  -0.102107226178  0.067561325725  -0.135468188893  0.003834164782  -0.001678084546  -0.000654948557


MDSTEP:  25
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -81.167718758054  -0.126419828876  0.029006675182
  -0.126419828876  -81.366022926080  -0.630599871833
  0.029006675182  -0.630599871833  -78.785743236093
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.046093241730  8.084086487355  8.073906703070  0.159124015221  0.016640548057  -0.108540325971  -0.004081023928  -0.001251263952  -0.002256924860
  1  Al  8.075218044685  1.988310011081  1.975265712457  0.143721959665  0.090065948987  0.004862322913  -0.001763810302  -0.002803414647  -0.003974363015
  2  Al  1.994152380725  8.048845646443  1.998177040977  0.061236724691  0.032021656405  0.113846210555  -0.002367895719  -0.004073653354  -0.001971622779
  3  Al  1.991750985257  2.009186191273  8.089544605479  0.019753140195  -0.022931692424  -0.178861952650  -0.002618333734  -0.001299016108  -0.001124170597
  4  Al  0.009541233131  8.060739314860  4.128226894223  0.117220510738  0.022093524239  -0.228660096131  0.000941467266  -0.003112989747  0.005925080113
  5  Al  0.007013029134  2.023988194064  6.104730888211  -0.012292816683  -0.043082544074  -0.085436107693  0.000534265699  -0.000139601824  0.002256741896
  6  Al  2.010329699893  8.093038150695  6.063689349888  -0.060998784592  0.186995790163  0.050979733921  -0.001275633494  -0.000264031623  -0.000835935088
  7  Al  2.021050962072  2.035434525235  4.081113630523  -0.027533830439  -0.077014876770  0.041709748560  -0.000356091767  0.000715054485  0.002560320799
  8  Al  8.078426194241  4.097216498918  8.032273389166  -0.003188745523  -0.132432009945  0.128438494784  -0.001732651532  0.003576523044  -0.005230209319
  9  Al  0.015794456712  6.068510788811  2.020526494192  -0.004589564505  -0.005155273710  0.089381234427  0.001268346737  -0.000526271797  -0.000216595927
  10  Al  2.055138892277  3.995395270807  2.017828082901  -0.079093146211  0.333684657273  0.150399682347  0.002306527875  -0.003846466668  -0.000353853838
  11  Al  2.036383281489  6.091805353966  0.057513571990  -0.107171945299  0.009187063641  0.101431235245  0.000743183518  0.001369464144  0.004779296065
  12  Al  8.072869689382  4.068437360389  4.007344745541  0.187702411290  0.002734238472  0.165300881444  -0.001890630028  0.001498631402  -0.003155438724
  13  Al  0.004431125761  6.056999604765  6.029034132295  -0.017416000507  0.019700925303  0.092964245760  0.000340615274  -0.001408904683  -0.003539644998
  14  Al  2.015720908800  4.029513539192  6.094705727446  -0.097340509336  -0.132874014630  -0.114366978628  -0.000898712802  -0.001849206764  0.001410649041
  15  Al  2.072673753765  6.082067450719  3.998509941514  -0.213857034121  -0.078395491453  -0.015111910667  0.003492947543  0.000448118097  -0.004171803808
  16  Al  4.107806812484  0.062030665836  8.098556578580  -0.023402411033  -0.027897790056  0.158859261489  0.004587020410  0.004939240024  0.000127972606
  17  Al  3.982408434016  1.971598623280  2.016573923649  0.222955204887  0.094518623985  -0.016013790975  -0.005062943488  -0.004131349083  -0.000703574779
  18  Al  6.119741969978  8.047601764023  1.963635411817  -0.212514224605  -0.008308564737  0.101659851978  0.003252349810  -0.004224656537  -0.004772749352
  19  Al  6.093559787127  2.084057998521  8.024959231062  -0.166101900195  -0.205112839680  0.041327920093  0.001220799795  0.004431411656  -0.005976180854
  20  Al  4.067376739677  0.064296805856  4.055863316103  -0.094163479143  -0.209742263938  -0.042753891361  0.001253928464  0.004829783309  0.000403141977
  21  Al  4.063634966415  2.006861158296  6.088569653541  0.031013260685  0.084713520782  0.118361420376  0.001141271062  -0.001330270411  0.001272931956
  22  Al  6.075771619102  0.006171537631  6.082515996484  0.021257409261  0.202525460349  0.070839140013  0.000098713171  0.000812508759  0.000712576172
  23  Al  6.121886434925  2.034448138826  4.034176735693  -0.138148491594  -0.010575130654  0.214771146562  0.003538499440  0.000738865346  -0.000925321997
  24  Al  4.062242829704  4.043136373290  0.065894844049  0.083367004697  -0.070243994366  -0.209470674013  0.001110968058  -0.000654810190  0.004971947426
  25  Al  4.028250291208  6.134163836775  2.081019236891  0.063041094148  -0.104545294339  -0.127325471779  -0.001660524459  0.004567590962  0.004302330590
  26  Al  6.043617138790  4.095225196944  1.984030432820  0.013581671316  0.033476927065  0.095976909075  -0.002511497413  0.003688028960  -0.003152645334
  27  Al  6.051168283536  6.101333412113  0.053964762313  0.025885844891  -0.101961522653  -0.123350209735  -0.001861820701  0.001953551039  0.004157910838
  28  Al  4.062561231689  4.075107099906  4.094088427525  -0.034767586418  -0.003189180647  -0.186780155825  0.000953764090  0.001997178048  0.003228971095
  29  Al  3.999285796163  6.091828590797  6.153084190747  0.257788794310  -0.043117879873  -0.165596934678  -0.003652420720  0.001279662752  0.005982149581
  30  Al  6.089338991577  3.995580594710  6.086412306630  -0.010312220441  0.076398446309  0.001125042169  0.001133652736  -0.004264080955  0.000948593850
  31  Al  6.124700785804  6.052920026266  4.044200335904  -0.104756355348  0.071823032919  -0.139965981605  0.003815671327  -0.001665623685  -0.000679572173


MDSTEP:  26
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -80.992570310740  -0.133831408673  0.033911169358
  -0.133831408673  -81.206389840920  -0.676294912354
  0.033911169358  -0.676294912354  -78.435899832953
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.044059842552  8.083461599205  8.072773388926  0.163316283383  0.017352614859  -0.112396982378  -0.004052197998  -0.001248224988  -0.002276676497
  1  Al  8.074342563854  1.986912329673  1.973278748293  0.146265491268  0.095427498096  0.003897728272  -0.001737885633  -0.002786831666  -0.003973579873
  2  Al  1.992971170124  8.046810251122  1.997196318472  0.065150505500  0.037119208312  0.116710393570  -0.002356596792  -0.004067472210  -0.001951011185
  3  Al  1.990442701348  2.008535658180  8.088974525116  0.021967177391  -0.022371851253  -0.183588893147  -0.002614603968  -0.001303066212  -0.001156573441
  4  Al  0.010017206478  8.059183807559  4.131179213256  0.119118187305  0.023594888763  -0.237893427591  0.000962595776  -0.003108905236  0.005883370564
  5  Al  0.007279612498  2.023916467377  6.105855440195  -0.014546214477  -0.043816617390  -0.088130101326  0.000531866308  -0.000147370547  0.002241225201
  6  Al  2.009689156522  8.092914493528  6.063273661120  -0.058952088319  0.191611316898  0.055114371308  -0.001286357016  -0.000230184420  -0.000826450351
  7  Al  2.020871685436  2.035788609941  4.082395655333  -0.025860841481  -0.078151178491  0.042450354632  -0.000360865213  0.000701182752  0.002567844652
  8  Al  8.077559725940  4.098998840777  8.029664025661  -0.005635722701  -0.137123025632  0.133464540478  -0.001733440433  0.003552425018  -0.005206795376
  9  Al  0.016428424929  6.068247422473  2.020422191537  -0.008658599333  -0.006841304129  0.090460631731  0.001267162361  -0.000527344282  -0.000200518193
  10  Al  2.056288620780  3.993486953057  2.017657878794  -0.081081634584  0.343614676026  0.155358264967  0.002292208365  -0.003785916596  -0.000326519297
  11  Al  2.036750082701  6.092490496696  0.059907753963  -0.107496496590  0.006765443740  0.100197115486  0.000723992314  0.001370890286  0.004797321495
  12  Al  8.071932764598  4.069186798310  4.005774415069  0.192461208409  0.000727476060  0.171339591313  -0.001856643674  0.001498940877  -0.003125343308
  13  Al  0.004600654909  6.056296033048  6.027268465265  -0.021805545598  0.018754961664  0.098545842868  0.000337108896  -0.001405466754  -0.003522524134
  14  Al  2.015267201313  4.028582996389  6.095405939804  -0.096680977490  -0.135512390611  -0.117969387960  -0.000916058183  -0.001873200315  0.001389878337
  15  Al  2.074410668204  6.082288005517  3.996423364113  -0.219176516099  -0.082782699579  -0.010601612342  0.003454234655  0.000433708883  -0.004174102579
  16  Al  4.110099276609  0.064499038827  8.098627665835  -0.021783522135  -0.031771959390  0.163152417660  0.004582980820  0.004933905591  0.000156760219
  17  Al  3.979886928289  1.969537173687  2.016221420449  0.233084560380  0.099783849556  -0.017009198354  -0.005022173861  -0.004113978581  -0.000706527011
  18  Al  6.121358645574  8.045489064364  1.961253581299  -0.222222057478  -0.005807029305  0.105870580075  0.003213484700  -0.004225918461  -0.004754196281
  19  Al  6.094162762329  2.086264535878  8.021972987978  -0.173113368314  -0.213306938216  0.047195202840  0.001190474194  0.004394005228  -0.005968266950
  20  Al  4.067999494835  0.066702322107  4.056062976008  -0.095916624204  -0.217954647619  -0.042954872629  0.001236935440  0.004791547513  0.000395479675
  21  Al  4.064206988228  2.006199809755  6.089211410232  0.034006345144  0.090172456271  0.122738560676  0.001147083768  -0.001314635730  0.001294486121
  22  Al  6.075821925886  0.006586844826  6.082875451054  0.018514642601  0.207579236110  0.074422021763  0.000102268764  0.000849171823  0.000725562415
  23  Al  6.123649509457  2.034817098795  4.033723674888  -0.145701179038  -0.009180390876  0.221194713601  0.003513123483  0.000737099216  -0.000886346963
  24  Al  4.062802040208  4.042805828314  0.068371454498  0.087979664118  -0.072159741619  -0.220481086667  0.001126286327  -0.000667540981  0.004933510048
  25  Al  4.027422846892  6.136442959119  2.083164710784  0.070108719565  -0.108920833651  -0.135017199503  -0.001648620962  0.004548507243  0.004278877344
  26  Al  6.042361997179  4.097070707830  1.982458400287  0.014233745843  0.032002430061  0.100481459991  -0.002509010735  0.003693882768  -0.003135082097
  27  Al  6.050238530274  6.102305629989  0.056038204022  0.023454675080  -0.107343155995  -0.132788278182  -0.001857409694  0.001934839351  0.004135012241
  28  Al  4.063036559635  4.076105546375  4.095694564067  -0.033716638164  -0.002652538326  -0.190706709208  0.000947641649  0.001996655803  0.003195224041
  29  Al  3.997471108870  6.092466494820  6.156067863415  0.268155238168  -0.046063067291  -0.168671150427  -0.003605401702  0.001271690040  0.005952266255
  30  Al  6.089905356992  3.993451969216  6.086886653844  -0.013899147359  0.083520721324  -0.001419790508  0.001131488257  -0.004249784297  0.000948567500
  31  Al  6.126603938896  6.052090424887  4.043854293388  -0.111569270791  0.073732591634  -0.142965101011  0.003796331972  -0.001652611117  -0.000704866008


MDSTEP:  27
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -80.813125034887  -0.142295198269  0.038086763772
  -0.142295198269  -81.040131556759  -0.723158633526
  0.038086763772  -0.723158633526  -78.074034370133
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.042041043733  8.082838262367  8.071630026573  0.171786068741  0.018130702179  -0.115255648897  -0.004022240089  -0.001245052805  -0.002297028478
  1  Al  8.073480159052  1.985523179415  1.971292132584  0.152793796601  0.097959360953  0.006494583060  -0.001711149948  -0.002769543020  -0.003972650808
  2  Al  1.991795783933  8.044778174232  1.996226029792  0.063787293479  0.042897944650  0.122413408416  -0.002345069845  -0.004060318734  -0.001929633689
  3  Al  1.989136381289  2.007883125061  8.088388032038  0.018591548303  -0.024596998695  -0.187192898493  -0.002610978047  -0.001307265194  -0.001189721067
  4  Al  0.010503828906  8.057630409624  4.134110264787  0.124338123494  0.025738076545  -0.248237886032  0.000984360595  -0.003104494904  0.005839910774
  5  Al  0.007544895442  2.023840823517  6.106972113412  -0.012406289534  -0.047252989430  -0.094205384376  0.000529456774  -0.000155512104  0.002224924540
  6  Al  2.009043342877  8.092807966275  6.062862899536  -0.061814918249  0.196182070072  0.056272851194  -0.001297153499  -0.000195515970  -0.000816492414
  7  Al  2.020690096859  2.036135707987  4.083681475174  -0.029761117706  -0.081908339762  0.042160268212  -0.000365837776  0.000686873546  0.002575408780
  8  Al  8.076692753808  4.100768923936  8.027066593790  -0.003636939626  -0.141830763984  0.139243629735  -0.001734269402  0.003527486750  -0.005182415461
  9  Al  0.017061619073  6.067983444528  2.020325975998  -0.008902496471  -0.005761885660  0.094390878119  0.001265592412  -0.000528470998  -0.000183992601
  10  Al  2.057431100642  3.991609354211  2.017501563604  -0.088681420530  0.353052089764  0.163329748250  0.002277031670  -0.003723635088  -0.000298028818
  11  Al  2.037107273804  6.093176244252  0.062310893485  -0.112922592553  0.006968180289  0.099689030603  0.000704287006  0.001372118062  0.004815191172
  12  Al  8.071013045708  4.069936301267  4.004219402233  0.201329024510  -0.001919554626  0.176382451700  -0.001821439111  0.001498834306  -0.003094257208
  13  Al  0.004768234657  6.055594138011  6.025511608161  -0.022262125244  0.020729056567  0.101100334128  0.000333169278  -0.001401936911  -0.003504675909
  14  Al  2.014804850617  4.027640338877  6.096095605783  -0.101360587557  -0.138172191527  -0.124689619212  -0.000933762956  -0.001897667520  0.001368184797
  15  Al  2.076127988420  6.082501159602  3.994335838936  -0.229653887791  -0.084637514873  -0.006352931760  0.003414109540  0.000418741636  -0.004175618303
  16  Al  4.112389793304  0.066964571427  8.098713338799  -0.023907339953  -0.036170560447  0.168010715142  0.004578896090  0.004927831579  0.000186365964
  17  Al  3.977386260155  1.967484644698  2.015867396638  0.238753704714  0.102068070787  -0.014789496292  -0.004979991860  -0.004095933165  -0.000709369791
  18  Al  6.122955454678  8.043375845562  1.958881215536  -0.226160234175  -0.002544356940  0.113545421089  0.003173399645  -0.004226665069  -0.004734580648
  19  Al  6.094750261321  2.088452003749  8.018990964112  -0.174737319717  -0.224398863053  0.054216660043  0.001159376593  0.004354874645  -0.005959200803
  20  Al  4.068613675116  0.069088353369  4.056258795778  -0.101503274500  -0.226062872686  -0.043722267595  0.001219286243  0.004751852666  0.000387730801
  21  Al  4.064782050183  2.005546522566  6.089864139662  0.032904691152  0.092697337934  0.123827837855  0.001153065566  -0.001298287302  0.001316528980
  22  Al  6.075873887866  0.007020709454  6.083241558899  0.020847193508  0.212240989473  0.074703511590  0.000105787684  0.000886703450  0.000738894130
  23  Al  6.125399558408  2.035185238043  4.033290388731  -0.147335525218  -0.010868956888  0.226278622963  0.003486926213  0.000735306819  -0.000846343169
  24  Al  4.063369116031  4.042468832309  0.070828354097  0.088539761028  -0.073878112225  -0.230585645889  0.001142067037  -0.000680596660  0.004893185006
  25  Al  4.026601670246  6.138712344019  2.085298114235  0.072956848803  -0.110574633583  -0.139939962568  -0.001635831003  0.004528884507  0.004254296372
  26  Al  6.041108128054  4.098919079711  1.980895350723  0.020402209600  0.030166197845  0.108335156351  -0.002505914306  0.003699440598  -0.003116414042
  27  Al  6.049310873842  6.103268251465  0.058099774554  0.026027680597  -0.109724985282  -0.141597448997  -0.001852986007  0.001915433616  0.004110482355
  28  Al  4.063508873338  4.077103755709  4.097283651566  -0.036812441111  -0.002022580207  -0.195399485043  0.000941336401  0.001996237850  0.003160706425
  29  Al  3.995680394462  6.093100280837  6.159036457002  0.274019122405  -0.045889627983  -0.174540390715  -0.003556931704  0.001263469535  0.005921583390
  30  Al  6.090470479834  3.991330810414  6.087360874130  -0.012360140213  0.090617750725  -0.007317065543  0.001129140696  -0.004234216443  0.000947786431
  31  Al  6.128497117776  6.051267415149  4.043495469895  -0.112858416790  0.078767960070  -0.146568977040  0.003776268298  -0.001638977677  -0.000730750147


MDSTEP:  28
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -80.624303990211  -0.149665608065  0.043775351852
  -0.149665608065  -80.868160412909  -0.770223556695
  0.043775351852  -0.770223556695  -77.704904669767
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.040037602464  8.082216546400  8.070476360448  0.177579818616  0.019235124791  -0.117334431913  -0.003991007030  -0.001241712327  -0.002317821864
  1  Al  8.072631413906  1.984142786653  1.969306097486  0.156771602641  0.102480107271  0.006070932530  -0.001683475024  -0.002751623876  -0.003971527460
  2  Al  1.990626100279  8.042749932388  1.995266684783  0.066113562344  0.049504612295  0.125421528685  -0.002333456802  -0.004052058012  -0.001907477424
  3  Al  1.987831723301  2.007228392987  8.087784804049  0.019295952290  -0.024870194422  -0.189752386528  -0.002607590932  -0.001311687525  -0.001223419704
  4  Al  0.011001567073  8.056079312654  4.137019124030  0.127464875402  0.028260332288  -0.259142335301  0.001006871602  -0.003099667486  0.005794551347
  5  Al  0.007809069272  2.023760955273  6.108080364736  -0.012852089474  -0.048731335080  -0.097203647604  0.000527198693  -0.000164093033  0.002207812711
  6  Al  2.008392003023  8.092718977558  6.062457168706  -0.060438125102  0.200651858078  0.060313473386  -0.001308082833  -0.000160039303  -0.000806069680
  7  Al  2.020505847660  2.036475483487  4.084971064113  -0.029417326453  -0.083681222639  0.040949438064  -0.000371128286  0.000672069958  0.002582838728
  8  Al  8.075825456537  4.102526327527  8.024481610200  -0.004559142647  -0.146818389268  0.145698563944  -0.001735002126  0.003501681724  -0.005156941834
  9  Al  0.017694017341  6.067718951475  2.020238198936  -0.011680737136  -0.006599732638  0.095131791622  0.001263752286  -0.000529576118  -0.000167049411
  10  Al  2.058565652450  3.989763317969  2.017359849975  -0.092139404164  0.361500683648  0.168485590081  0.002260866418  -0.003659754584  -0.000268364766
  11  Al  2.037454369707  6.093862614759  0.064722945135  -0.114332914410  0.005096180286  0.098787979854  0.000683970527  0.001373196608  0.004832934874
  12  Al  8.070111325488  4.070685632616  4.002680157861  0.207627956069  -0.005073698454  0.180719243136  -0.001784878651  0.001498209114  -0.003062332573
  13  Al  0.004933824187  6.054894096137  6.023763789355  -0.025256735489  0.020464347832  0.106890720681  0.000328921126  -0.001398254251  -0.003486081659
  14  Al  2.014333438357  4.026685328869  6.096774124600  -0.101652599195  -0.140677400121  -0.128579421249  -0.000951912189  -0.001922596473  0.001345542727
  15  Al  2.077824777744  6.082706747153  3.992247745811  -0.235847723850  -0.088347420254  -0.002198942056  0.003372494031  0.000403276907  -0.004176382834
  16  Al  4.114678172700  0.069426870406  8.098814031799  -0.023892629717  -0.040221557342  0.173140101412  0.004574622807  0.004921002179  0.000216864602
  17  Al  3.974906936430  1.965441240522  2.015512050657  0.246798532819  0.106703088919  -0.015410996374  -0.004936583839  -0.004077269174  -0.000712069694
  18  Al  6.124532045219  8.041262399296  1.956519000651  -0.233876085034  0.001341297045  0.118282927012  0.003132272729  -0.004226772621  -0.004713855361
  19  Al  6.095322138922  2.090619410523  8.016013787175  -0.180062522670  -0.233356359997  0.062501728131  0.001127657743  0.004313951657  -0.005948766263
  20  Al  4.069218781078  0.071454174773  4.056450706809  -0.104882265951  -0.233775593696  -0.044821994168  0.001200835524  0.004710743438  0.000379815008
  21  Al  4.065360053794  2.004901522452  6.090527939212  0.034115039985  0.097423604729  0.127561009274  0.001159057082  -0.001281290627  0.001339002962
  22  Al  6.075927713570  0.007473548275  6.083614345184  0.019043702855  0.216873107441  0.077952248453  0.000109353901  0.000925065941  0.000752541445
  23  Al  6.127136435669  2.035552405614  4.032877331719  -0.153181919538  -0.010301252555  0.230537524282  0.003460060170  0.000733414218  -0.000805504134
  24  Al  4.063944107245  4.042125231654  0.073264639504  0.091600487219  -0.076008654488  -0.240411691176  0.001158171445  -0.000693996429  0.004851078183
  25  Al  4.025787015890  6.140971843626  2.087419007155  0.078666984583  -0.114160489912  -0.147728279476  -0.001622275941  0.004508793348  0.004228579038
  26  Al  6.039856082873  4.100770148429  1.979341986245  0.022770529371  0.027485605975  0.113120256650  -0.002502054694  0.003704594628  -0.003096616087
  27  Al  6.048385544266  6.104221063605  0.060148686377  0.024790889843  -0.114413579359  -0.150603904496  -0.001848442864  0.001895395789  0.004084359764
  28  Al  4.063977896036  4.078101784225  4.098855270491  -0.037485451895  -0.001807261338  -0.200166639339  0.000934694222  0.001995895465  0.003125343098
  29  Al  3.993914177166  6.093729964355  6.161989446805  0.282413936612  -0.047884115547  -0.177541915088  -0.003507186989  0.001255086230  0.005890107486
  30  Al  6.091034497688  3.989217752773  6.087834440276  -0.014937716089  0.098098958388  -0.010444343975  0.001126700287  -0.004217345305  0.000946198574
  31  Al  6.130380207194  6.050451447210  4.043123543242  -0.118558481833  0.081609348121  -0.150224128457  0.003755579794  -0.001624640061  -0.000757283237


MDSTEP:  29
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -80.430183628619  -0.157642980266  0.049085380234
  -0.157642980266  -80.689773104329  -0.817961783495
  0.049085380234  -0.817961783495  -77.325665694469
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.038050036703  8.081596550040  8.069312204709  0.184999731993  0.020279477749  -0.119527727810  -0.003958592679  -0.001238179750  -0.002338997171
  1  Al  8.071796684028  1.982771555539  1.967320605125  0.162051490011  0.105896808560  0.007172393127  -0.001654972469  -0.002732995130  -0.003970343516
  2  Al  1.989462327130  8.040726116220  1.994318552368  0.066048251609  0.056503692980  0.129610305397  -0.002321641631  -0.004042580946  -0.001884677761
  3  Al  1.986528790357  2.006571437535  8.087164612334  0.017505697054  -0.026323449728  -0.192195962807  -0.002604300891  -0.001316264200  -0.001257565611
  4  Al  0.011510700508  8.054530742138  4.139904816134  0.131656184575  0.030954551446  -0.269988657546  0.001030036838  -0.003094373718  0.005747247417
  5  Al  0.008072094135  2.023676730484  6.109179926123  -0.011684775258  -0.051313247520  -0.101746760865  0.000525005115  -0.000173036947  0.002190026687
  6  Al  2.007735260044  8.092647926972  6.062056829856  -0.061220824110  0.204701329510  0.063113490923  -0.001318959056  -0.000123801019  -0.000795035398
  7  Al  2.020318968573  2.036807777945  4.086264313903  -0.031556037192  -0.086470493614  0.039718585836  -0.000376579261  0.000656858517  0.002590050392
  8  Al  8.074957751682  4.104270605660  8.021909651956  -0.003809361070  -0.151671421923  0.152031856835  -0.001735750264  0.003474996949  -0.005130324949
  9  Al  0.018325371359  6.067453868410  2.020158926587  -0.013141357401  -0.006330909397  0.097130320541  0.001261533208  -0.000530732108  -0.000149861317
  10  Al  2.059691967061  3.987949599627  2.017233198838  -0.098229437057  0.369644709940  0.174933408263  0.002243847581  -0.003594390712  -0.000237663355
  11  Al  2.037791244331  6.094549440860  0.067143828360  -0.117938671722  0.004261772567  0.097317303765  0.000663205615  0.001374033202  0.004850466546
  12  Al  8.069228167057  4.071434510381  4.001157069659  0.215447478987  -0.008493521288  0.185108583811  -0.001747056011  0.001496996215  -0.003029627829
  13  Al  0.005097155783  6.054195883761  6.022025526503  -0.026846843938  0.021491175625  0.111409310076  0.000324263104  -0.001394503457  -0.003466565793
  14  Al  2.013852938428  4.025717742404  6.097441148510  -0.104243200678  -0.142884921989  -0.133865137297  -0.000970319126  -0.001947946740  0.001322080372
  15  Al  2.079500482450  6.082904436509  3.990159456102  -0.244411391322  -0.090993324653  0.002696355946  0.003329559211  0.000387243974  -0.004176338366
  16  Al  4.116964416111  0.071885573606  8.098930203400  -0.025238930033  -0.044748440435  0.177874511874  0.004570230481  0.004913405922  0.000248245056
  17  Al  3.972449676316  1.963407375525  2.015155326944  0.253169082718  0.110027461657  -0.014478509467  -0.004891887094  -0.004057893618  -0.000714741794
  18  Al  6.126087727407  8.039149072941  1.954167360175  -0.238901273520  0.005734790999  0.124639051266  0.003090006774  -0.004226140024  -0.004692138311
  19  Al  6.095877919064  2.092765955406  8.013042197849  -0.182694597516  -0.243709500909  0.071104979098  0.001095227517  0.004271302313  -0.005936821919
  20  Al  4.069814510640  0.073799096807  4.056638610786  -0.109556070120  -0.241509282219  -0.045546788251  0.001181664891  0.004668253312  0.000371736104
  21  Al  4.065941107265  2.004265231939  6.091203142624  0.033742016635  0.100833670630  0.129652187098  0.001165123454  -0.001263566569  0.001361997637
  22  Al  6.075983241767  0.007945775395  6.083994100345  0.019512245915  0.220952199737  0.079634875651  0.000112800775  0.000964207208  0.000766629621
  23  Al  6.128859618578  2.035918652260  4.032484884597  -0.156385589617  -0.011033156300  0.234509068950  0.003432385057  0.000731506937  -0.000763929303
  24  Al  4.064527287477  4.041774835880  0.075679432280  0.092986049297  -0.077719556557  -0.250508882509  0.001174673349  -0.000707739621  0.004807190237
  25  Al  4.024979394305  6.143221137367  2.089526693273  0.082920571066  -0.116502031005  -0.154301488393  -0.001607830130  0.004488172285  0.004201577794
  26  Al  6.038606073361  4.102623674339  1.977798734636  0.027819357041  0.024510201266  0.119483622375  -0.002497531994  0.003709243016  -0.003075821468
  27  Al  6.047462430979  6.105163647254  0.062184134318  0.025744400456  -0.117895458816  -0.160190158531  -0.001843925045  0.001874627528  0.004056574998
  28  Al  4.064443567561  4.079099651174  4.100408994664  -0.039693060272  -0.001506803879  -0.204584179258  0.000927794519  0.001995599190  0.003089158666
  29  Al  3.992173207473  6.094355367067  6.164926564488  0.288957741482  -0.048595607901  -0.181669393605  -0.003456106772  0.001246461012  0.005857994253
  30  Al  6.091597180121  3.987113465109  6.088307072704  -0.015197121393  0.106050912196  -0.015201654758  0.001124006254  -0.004199094453  0.000943905840
  31  Al  6.132252697569  6.049642775088  4.042738186659  -0.121811756618  0.085858373271  -0.153334909735  0.003734090867  -0.001609668567  -0.000784421196


MDSTEP:  30
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -80.227042128757  -0.164439015951  0.056558243005
  -0.164439015951  -80.505328052628  -0.865929563370
  0.056558243005  -0.865929563370  -76.939647849543
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.036079009785  8.080978366650  8.068137363277  0.189253401837  0.021214408408  -0.121738672904  -0.003925134718  -0.001234470226  -0.002360566213
  1  Al  8.070976441437  1.981409791524  1.965335753970  0.164151222635  0.111692154312  0.006568124385  -0.001625810181  -0.002713542833  -0.003969115123
  2  Al  1.988304458648  8.038707351442  1.993382007022  0.069375931606  0.063762501106  0.132526325147  -0.002309534807  -0.004031829235  -0.001861242935
  3  Al  1.985227422410  2.005912128787  8.086527238438  0.019301539794  -0.025504722148  -0.194396436020  -0.002601010350  -0.001320897601  -0.001292126694
  4  Al  0.012031603911  8.052984938937  4.142766371447  0.133177518509  0.033470773166  -0.280659695928  0.001053712780  -0.003088614140  0.005698019851
  5  Al  0.008334074387  2.023587918326  6.110270391423  -0.013700755404  -0.051582643249  -0.104732119641  0.000522735667  -0.000182235766  0.002171567624
  6  Al  2.007073043967  8.092595176539  6.061662133307  -0.057934693815  0.207906491511  0.067405956843  -0.001329611473  -0.000086914177  -0.000783367054
  7  Al  2.020129268399  2.037132342004  4.087561114505  -0.029810063939  -0.087107586560  0.038413809589  -0.000382065346  0.000641340762  0.002597035372
  8  Al  8.074089706273  4.106001324476  8.019351285250  -0.006245282164  -0.156476100793  0.158327882885  -0.001736649142  0.003447448782  -0.005102579012
  9  Al  0.018955550549  6.067188219367  2.020088337619  -0.017667874996  -0.008386166592  0.097580700709  0.001258778885  -0.000532047804  -0.000132454292
  10  Al  2.060809500031  3.986168927256  2.017122186621  -0.100869797127  0.377395479670  0.179859229418  0.002226048253  -0.003527605857  -0.000205945148
  11  Al  2.038117575322  6.095236647960  0.069573411681  -0.117630750692  0.001084574341  0.094459328002  0.000642145878  0.001374511161  0.004867611238
  12  Al  8.068364269476  4.072182628831  3.999650530032  0.219946263503  -0.011840007682  0.189563750259  -0.001708132124  0.001495178412  -0.002996132392
  13  Al  0.005258087290  6.053499592680  6.020297223563  -0.031460497164  0.020014035711  0.117559039548  0.000319050469  -0.001390792921  -0.003446096187
  14  Al  2.013363119231  4.024737382129  6.098096204972  -0.102518946967  -0.144128550390  -0.137629355317  -0.000988803513  -0.001973605538  0.001297808960
  15  Al  2.081154336955  6.083093991127  3.988071407445  -0.249006012623  -0.095703004780  0.008506607252  0.003285448051  0.000370553456  -0.004175336829
  16  Al  4.119248403181  0.074340276328  8.099062276855  -0.023898771013  -0.049635244362  0.182078829780  0.004565837606  0.004904968088  0.000280424625
  17  Al  3.970015049336  1.961383346903  2.014797308863  0.262761292647  0.115634474795  -0.014803609011  -0.004845763290  -0.004037719604  -0.000717359594
  18  Al  6.127622051993  8.037036259272  1.951826862340  -0.247611321446  0.010291432249  0.129481852211  0.003046512898  -0.004224707291  -0.004669420085
  19  Al  6.096417366439  2.094890712836  8.010076965256  -0.188538028855  -0.251825428624  0.080376697280  0.001062039587  0.004227001847  -0.005923279566
  20  Al  4.070400445969  0.076122428085  4.056822442912  -0.111447475701  -0.249355086730  -0.045831926366  0.001161907333  0.004624370391  0.000363566912
  21  Al  4.066525177248  2.003637955883  6.091889936849  0.036096929336  0.106717730596  0.132840398974  0.001171367005  -0.001245011623  0.001385464285
  22  Al  6.076040514345  0.008437755483  6.084380974805  0.016085910173  0.224343739771  0.082780680727  0.000115983225  0.001004016345  0.000781149455
  23  Al  6.130568820726  2.036283912551  4.032113402416  -0.163480110575  -0.009152756782  0.238342457941  0.003403789294  0.000729702331  -0.000721656717
  24  Al  4.065118780594  4.041417492033  0.078071829742  0.097061833416  -0.079092244710  -0.261421675919  0.001191663493  -0.000721758483  0.004761424014
  25  Al  4.024179185760  6.145460015911  2.091620584949  0.090708203011  -0.120784835320  -0.162264781892  -0.001592307842  0.004466959010  0.004173276997
  26  Al  6.037358550879  4.104479391444  1.976266164777  0.029718073939  0.021063359936  0.124556892269  -0.002492388189  0.003713317259  -0.003054004421
  27  Al  6.046541619221  6.106095691133  0.064205261375  0.023053505305  -0.123707885697  -0.170731032435  -0.001839562547  0.001853028363  0.004026990882
  28  Al  4.064905690555  4.080097383416  4.101944429157  -0.038782520346  -0.001102340903  -0.208074487324  0.000920778858  0.001995365935  0.003052267278
  29  Al  3.990458070394  6.094976425366  6.167847441058  0.298310324029  -0.051816627236  -0.184291990510  -0.003403605430  0.001237484230  0.005825277569
  30  Al  6.092158503942  3.985018658320  6.088778346116  -0.019259371002  0.115029938530  -0.018972476740  0.001120925869  -0.004179329984  0.000940850697
  31  Al  6.134114298061  6.048841778643  4.042339122045  -0.129139675910  0.087580138456  -0.155680303212  0.003711655990  -0.001594163289  -0.000812046934


MDSTEP:  31
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -80.019262473451  -0.172254873102  0.063140940296
  -0.172254873102  -80.314769127742  -0.914305730642
  0.063140940296  -0.914305730642  -76.543602003580
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.034124901985  8.080362079814  8.066951638496  0.197727556404  0.021958343334  -0.123397394346  -0.003890538899  -0.001230610613  -0.002382481201
  1  Al  8.070170873847  1.980058012706  1.963351490001  0.170467097682  0.114109570767  0.008877757946  -0.001595895544  -0.002693356321  -0.003967734273
  2  Al  1.987152792323  8.036694286985  1.992457309433  0.067206606698  0.071848680792  0.137447017444  -0.002297324426  -0.004019705693  -0.001837107513
  3  Al  1.983927780007  2.005250539934  8.085872485640  0.015421887741  -0.027706324379  -0.195710216445  -0.002597906101  -0.001325654631  -0.001327001948
  4  Al  0.012564413288  8.051442127998  4.145602835985  0.138072855673  0.036667685077  -0.291747807990  0.001077962369  -0.003082343812  0.005646847032
  5  Al  0.008594829802  2.023494494718  6.111351493747  -0.011110740579  -0.055081404945  -0.110509055355  0.000520517537  -0.000191771455  0.002152325218
  6  Al  2.006405648570  8.092561012795  6.061273462802  -0.059889184164  0.210836481535  0.069414007116  -0.001340144843  -0.000049478857  -0.000771135447
  7  Al  2.019936903227  2.037449118707  4.088861349274  -0.033942264939  -0.090682725706  0.036365496418  -0.000387764759  0.000625446436  0.002603720588
  8  Al  8.073221102540  4.107718054442  8.016807072944  -0.003865781640  -0.161070202879  0.164840766301  -0.001737553064  0.003419060371  -0.005073687967
  9  Al  0.019584150243  6.066921820606  2.020026472296  -0.018259707460  -0.007165615195  0.099995695283  0.001255566985  -0.000533438122  -0.000114791104
  10  Al  2.061918015313  3.984421993770  2.017027253689  -0.109016372625  0.384532666608  0.187012872006  0.002207284580  -0.003459490029  -0.000173147046
  11  Al  2.038433390209  6.095923952021  0.072011439598  -0.122482133807  0.000787181826  0.091799225321  0.000620679959  0.001374678495  0.004884262619
  12  Al  8.067520034933  4.072929688793  3.998160937267  0.228812393416  -0.015763935552  0.193540589559  -0.001668013423  0.001492710639  -0.002961883140
  13  Al  0.005416206252  6.052805090840  6.018579430316  -0.031892840011  0.022016975771  0.121431296791  0.000313386727  -0.001387035379  -0.003424730623
  14  Al  2.012864134915  4.023744136866  6.098738957470  -0.106532522424  -0.145276569168  -0.143674839885  -0.001007492564  -0.001999478148  0.001272660567
  15  Al  2.082785930501  6.083274989965  3.985984119273  -0.259140358835  -0.097566431250  0.014586683008  0.003240020131  0.000353275308  -0.004173272305
  16  Al  4.121530253717  0.076790541694  8.099210628026  -0.026195960435  -0.055342259290  0.186220930671  0.004561359173  0.004895583175  0.000313350359
  17  Al  3.967603913026  1.959369655921  2.014437967350  0.267464289099  0.117987414821  -0.012657830807  -0.004798361504  -0.004016833975  -0.000719814627
  18  Al  6.129134240305  8.034924365649  1.949497940090  -0.250157997408  0.015658084494  0.136906027738  0.003002012679  -0.004222387423  -0.004645605200
  19  Al  6.096939958651  2.096992957253  8.007118918283  -0.188926057145  -0.263384153292  0.090279640869  0.001028294570  0.004180942481  -0.005908023012
  20  Al  4.070976417973  0.078423467198  4.057002177698  -0.117159559691  -0.256978497999  -0.046124004168  0.001141470029  0.004579104533  0.000355346118
  21  Al  4.067112474270  2.003020220316  6.092588606909  0.034355758184  0.109156114177  0.133570733602  0.001177665425  -0.001225712657  0.001409281248
  22  Al  6.076099224992  0.008949791740  6.084775249799  0.017952282331  0.227154759367  0.083482603714  0.000119026215  0.001044379986  0.000796013273
  23  Al  6.132263407871  2.036648354591  4.031763227880  -0.164365615246  -0.010872930706  0.241207952878  0.003374480122  0.000727912049  -0.000678785255
  24  Al  4.065718950969  4.041053077397  0.080440856294  0.096788218518  -0.080027913581  -0.271705359806  0.001208993548  -0.000735983711  0.004713762840
  25  Al  4.023387086462  6.147688096377  2.093699970270  0.094026158076  -0.122176416110  -0.168495083751  -0.001575792723  0.004445238449  0.004143707303
  26  Al  6.036113685171  4.106336991598  1.974744730215  0.037052717952  0.017385655443  0.132243897181  -0.002486418929  0.003716754573  -0.003031046616
  27  Al  6.045622868431  6.107016675617  0.066211125200  0.025356606915  -0.125884440629  -0.181233831142  -0.001835234718  0.001830714989  0.003995525477
  28  Al  4.065364346419  4.081095017109  4.103461261942  -0.042225021301  -0.000652154066  -0.212099245433  0.000913536843  0.001995209084  0.003014704049
  29  Al  3.988769602043  6.095592851297  6.170751842057  0.303049038516  -0.051337458138  -0.188535784147  -0.003349844335  0.001228262329  0.005791947034
  30  Al  6.092718105989  3.982934135125  6.089247923401  -0.018067276523  0.124054625839  -0.025294574162  0.001117588893  -0.004157955996  0.000936893255
  31  Al  6.135964353559  6.048048611799  4.041926139725  -0.130524072969  0.092815193032  -0.158038166407  0.003688442238  -0.001578036076  -0.000840093139


MDSTEP:  32
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -79.801513248506  -0.178533489898  0.071843895526
  -0.178533489898  -80.118431601262  -0.962660650972
  0.071843895526  -0.962660650972  -76.142865953927
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.032188470886  8.079747756037  8.065754882076  0.202049263846  0.022931005967  -0.125099998729  -0.003854799139  -0.001226597538  -0.002404696689
  1  Al  8.069380545893  1.978716435203  1.961368019698  0.172537003619  0.119633894113  0.008327091023  -0.001565231224  -0.002672459824  -0.003966196171
  2  Al  1.986007134222  8.034687645749  1.991544899509  0.070220475295  0.080479439683  0.140133763491  -0.002285038544  -0.004006087668  -0.001812291991
  3  Al  1.982629516310  2.004586474156  8.085200236490  0.016998135807  -0.027084045442  -0.196894238224  -0.002595007774  -0.001330552850  -0.001362100503
  4  Al  0.013109566280  8.049902595124  4.148413218479  0.139481405031  0.039934260454  -0.302575744963  0.001102775520  -0.003075495653  0.005593714934
  5  Al  0.008854591924  2.023396146871  6.112422716640  -0.012808926177  -0.055446408671  -0.113492993762  0.000518379136  -0.000201652562  0.002132299596
  6  Al  2.005732899124  8.092545697682  6.060890997860  -0.055874867376  0.213247985130  0.073866234320  -0.001350494066  -0.000011566011  -0.000758326297
  7  Al  2.019741503641  2.037757788440  4.090164835093  -0.032146650722  -0.091417260017  0.034307320939  -0.000393673060  0.000609166828  0.002610038687
  8  Al  8.072352153209  4.109420384848  8.014277597283  -0.006176306177  -0.165934112479  0.171185434808  -0.001738450820  0.003389826421  -0.005043647466
  9  Al  0.020211117534  6.066654781245  2.019973546515  -0.022944853536  -0.008952650310  0.099727350843  0.001251883327  -0.000534879084  -0.000096936007
  10  Al  2.063016784611  3.982709437227  2.016949039574  -0.111700011445  0.390892840412  0.191782615503  0.002187552694  -0.003390167547  -0.000139283002
  11  Al  2.038738255281  6.096611326455  0.074457674300  -0.121849469702  -0.002363750649  0.087632277042  0.000598836889  0.001374537551  0.004900303666
  12  Al  8.066696256053  4.073675339470  3.996688646892  0.233319293436  -0.019902888634  0.197652397402  -0.001626699183  0.001489522051  -0.002926910768
  13  Al  0.005571474017  6.052112557301  6.016872492939  -0.036426246104  0.020616132545  0.128153930618  0.000307279049  -0.001383224010  -0.003402417883
  14  Al  2.012355626668  4.022737903981  6.099368865540  -0.104419742203  -0.145863103183  -0.147342193590  -0.001026351544  -0.002025505825  0.001246643854
  15  Al  2.084394357086  6.083447266435  3.983898135140  -0.263284053404  -0.102158479830  0.021653457628  0.003193315764  0.000335420044  -0.004170032463
  16  Al  4.123809762354  0.079235859503  8.099375627214  -0.025009117769  -0.060816430253  0.189704498091  0.004556781476  0.004885198672  0.000346957822
  17  Al  3.965216687831  1.957366512929  2.014077494236  0.276438579004  0.123467536046  -0.012789291271  -0.004749736979  -0.003995248076  -0.000722089582
  18  Al  6.130624064672  8.032813871848  1.947181257140  -0.258201742073  0.021437623104  0.141734697437  0.002956565684  -0.004219071094  -0.004620694920
  19  Al  6.097445661009  2.099071655317  8.004168942244  -0.194324635037  -0.271758583899  0.100729650068  0.000994032234  0.004133101105  -0.005890946919
  20  Al  4.071541915997  0.080701532618  4.057177789031  -0.119240304343  -0.264398687658  -0.045809618743  0.001120336051  0.004532493788  0.000347127319
  21  Al  4.067702842673  2.002412243227  6.093299218097  0.036395026580  0.114807605997  0.136332896460  0.001183990494  -0.001205690461  0.001433410439
  22  Al  6.076159540560  0.009482135469  6.085176988078  0.013959877867  0.229617369107  0.086690866025  0.000121879139  0.001085215085  0.000811226658
  23  Al  6.133943300848  2.037011824600  4.031434617161  -0.171183377914  -0.009162542386  0.244125205475  0.003344482283  0.000726120892  -0.000635396820
  24  Al  4.066327774142  4.040681508323  0.082785592582  0.100600098121  -0.081151009091  -0.282902464851  0.001226639921  -0.000750392990  0.004664181300
  25  Al  4.022603393036  6.149905254360  2.095764292252  0.101974883833  -0.126237071799  -0.176841448843  -0.001558270371  0.004423030462  0.004112834466
  26  Al  6.034872131950  4.108196146018  1.973235118161  0.039396539302  0.012945409191  0.137353127167  -0.002479584420  0.003719466149  -0.003006944836
  27  Al  6.044706384503  6.107926406122  0.068200786852  0.022449498162  -0.131480875855  -0.192922792953  -0.001830960887  0.001807706715  0.003962076144
  28  Al  4.065819227397  4.082092592500  4.104959133206  -0.041540507906  -0.000396665226  -0.215026010747  0.000906048265  0.001995115320  0.002976519358
  29  Al  3.987108226059  6.096204687695  6.173639388092  0.311914207064  -0.054095515732  -0.190622299375  -0.003294867064  0.001218836697  0.005758050574
  30  Al  6.093276092835  3.980860702324  6.089715239370  -0.022503776637  0.133941664493  -0.029351442373  0.001113961870  -0.004134891313  0.000932007940
  31  Al  6.137802740299  6.047263742567  4.041499028906  -0.138099698441  0.094667314872  -0.159422275919  0.003664427466  -0.001561275275  -0.000868473874


MDSTEP:  33
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -79.578385973580  -0.185530769665  0.080663825418
  -0.185530769665  -79.916077298515  -1.011277871743
  0.080663825418  -1.011277871743  -75.733144491094
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.030270102846  8.079135482276  8.064546941807  0.209395762282  0.023633998680  -0.127235773027  -0.003818016250  -0.001222434660  -0.002427255326
  1  Al  8.068605642622  1.977385552883  1.959385293830  0.177522364165  0.122705567180  0.011098508829  -0.001533936169  -0.002650794850  -0.003964459537
  2  Al  1.984867753780  8.032688199317  1.990645017443  0.069726967137  0.089570417510  0.145519518703  -0.002272527343  -0.003990885334  -0.001786754793
  3  Al  1.981332772233  2.003919987084  8.084510385137  0.015171809047  -0.028767141206  -0.198153543608  -0.002592131804  -0.001335545906  -0.001397417491
  4  Al  0.013667188808  8.048366632345  4.151196550919  0.143481623199  0.043567768959  -0.313072438302  0.001128072211  -0.003068030632  0.005538676430
  5  Al  0.009113208938  2.023292842156  6.113483793342  -0.011274402595  -0.058257448396  -0.119809523655  0.000516226104  -0.000211817605  0.002111442519
  6  Al  2.005055154504  8.092549446785  6.060515136505  -0.055033609858  0.215043457804  0.075508972861  -0.001360409204  0.000026722936  -0.000744972261
  7  Al  2.019543230167  2.038058285536  4.091471387961  -0.034176689532  -0.094434325700  0.032452913174  -0.000399602319  0.000592551830  0.002616007004
  8  Al  8.071482651720  4.111107880863  8.011763425478  -0.004998380595  -0.170419959232  0.176965992490  -0.001739449828  0.003359756609  -0.005012522979
  9  Al  0.020836033570  6.066386941523  2.019929536288  -0.024559533052  -0.008323061340  0.102085425043  0.001247636469  -0.000536423520  -0.000078894090
  10  Al  2.064105568008  3.981031826223  2.016887970687  -0.118111665276  0.396936163945  0.199193326838  0.002167007696  -0.003319736201  -0.000104330034
  11  Al  2.039032227098  6.097298489572  0.076911743264  -0.124261371469  -0.003513871893  0.082474971829  0.000576834757  0.001374012096  0.004915511132
  12  Al  8.065893335750  4.074419210843  3.995234026499  0.241036059656  -0.024442340747  0.202211208420  -0.001584292156  0.001485557619  -0.002891163249
  13  Al  0.005723485302  6.051421866830  6.015177012432  -0.037812861015  0.021913658351  0.132203825099  0.000300642127  -0.001379421877  -0.003379142087
  14  Al  2.011837783371  4.021718631041  6.099985601323  -0.105624251259  -0.145878742101  -0.153747100606  -0.001045129326  -0.002051587336  0.001219726688
  15  Al  2.085979246265  6.083610410010  3.981814086810  -0.271008125969  -0.104386604648  0.029999595652  0.003145550428  0.000316955063  -0.004165414717
  16  Al  4.126087035193  0.081675740366  8.099557585848  -0.026651556143  -0.067128224309  0.192354976609  0.004552163049  0.004873760512  0.000381113664
  17  Al  3.962854176047  1.955374407845  2.013715877769  0.281982894317  0.126424981932  -0.010042453119  -0.004699814502  -0.003972907865  -0.000724130723
  18  Al  6.132090805989  8.030705294556  1.944877245170  -0.262276143856  0.027982365820  0.149611459277  0.002910035336  -0.004214652982  -0.004594648783
  19  Al  6.097933990885  2.101126058358  8.001227971363  -0.196103816780  -0.282716273077  0.111104796260  0.000959128211  0.004083531452  -0.005872009072
  20  Al  4.072096754024  0.082955960985  4.057349305016  -0.124222426815  -0.271892768405  -0.044645604443  0.001098570658  0.004484549717  0.000339040687
  21  Al  4.068296464765  2.001814529855  6.094022017348  0.035267705655  0.117938536521  0.136084040345  0.001190397091  -0.001184883124  0.001457764317
  22  Al  6.076221104131  0.010035006826  6.085586476458  0.013412469429  0.231352356604  0.086912985892  0.000124326207  0.001126425447  0.000826746718
  23  Al  6.135607890154  2.037374475483  4.031127831060  -0.173910901929  -0.010141385946  0.247005574379  0.003313631103  0.000724395135  -0.000591490082
  24  Al  4.066945590891  4.040302684407  0.085105037594  0.101023816170  -0.081595770092  -0.294594724648  0.001244664954  -0.000764942435  0.004612553467
  25  Al  4.021828816091  6.152111126839  2.097812804736  0.106668822377  -0.127967796283  -0.182891904092  -0.001539617774  0.004400304730  0.004080674563
  26  Al  6.033634100751  4.110056457747  1.971737785379  0.045360779391  0.008103456261  0.145339171215  -0.002472007177  0.003721347902  -0.002981672348
  27  Al  6.043791907545  6.108824382332  0.070173201344  0.022581844551  -0.134481114494  -0.205592389584  -0.001826935117  0.001783929904  0.003926449173
  28  Al  4.066270394684  4.083090132429  4.106437781300  -0.044116346223  -0.000025817820  -0.217258064725  0.000898390603  0.001995077551  0.002937873473
  29  Al  3.985474734980  6.096811687994  6.176509892631  0.317032541691  -0.054307283046  -0.194933939557  -0.003238639677  0.001209145565  0.005723582124
  30  Al  6.093832067860  3.978799243811  6.090179931342  -0.023670105413  0.144160743192  -0.036388490630  0.001109833958  -0.004110029158  0.000926130838
  31  Al  6.139628781025  6.046487336524  4.041057665851  -0.141853271289  0.099346455974  -0.159761312918  0.003639399872  -0.001543930584  -0.000897008657


MDSTEP:  34
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -79.346832918160  -0.191267013961  0.090573439164
  -0.191267013961  -79.707723231665  -1.058887616444
  0.090573439164  -1.058887616444  -75.318499096538
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.028370454636  8.078525321377  8.063327626751  0.214428588189  0.024466340586  -0.128443373980  -0.003780126658  -0.001218134524  -0.002450112857
  1  Al  8.067846609724  1.976065640352  1.957403560161  0.180226438336  0.127440067261  0.011772255487  -0.001501953683  -0.002628432010  -0.003962414907
  2  Al  1.983734606878  8.030696760416  1.989758144716  0.071096827923  0.099319273068  0.149093316935  -0.002259937797  -0.003973998731  -0.001760416617
  3  Al  1.980037384506  2.003250928250  8.083802818999  0.015335655922  -0.028755908782  -0.198176849062  -0.002589404459  -0.001340688425  -0.001432849143
  4  Al  0.014237638491  8.046834564492  4.153951894909  0.145417603674  0.047351315337  -0.324165611219  0.001153899594  -0.003059902531  0.005481707807
  5  Al  0.009370818028  2.023184329266  6.114534159159  -0.011999478314  -0.059381418096  -0.124037549482  0.000514145436  -0.000222334435  0.002089642766
  6  Al  2.004372489919  8.092572420618  6.060146025599  -0.051779411079  0.216390771637  0.079059828734  -0.001369958211  0.000065292846  -0.000731153921
  7  Al  2.019341901322  2.038350340270  4.092780842096  -0.033738782529  -0.095817860857  0.029539565137  -0.000405673913  0.000575543422  0.002621549087
  8  Al  8.070612703380  4.112780141457  8.009265074304  -0.006143853572  -0.175126761973  0.183606688553  -0.001740445936  0.003328864981  -0.004980288041
  9  Al  0.021458754002  6.066118357725  2.019894652425  -0.028541271894  -0.009337395781  0.102351102850  0.001242889295  -0.000538002352  -0.000060617612
  10  Al  2.065183792307  3.979389701027  2.016844709540  -0.122417473101  0.402152814047  0.204661992713  0.002145504564  -0.003248298221  -0.000068225660
  11  Al  2.039315090038  6.097985338551  0.079373185432  -0.124465035946  -0.006247551592  0.077110450281  0.000554598795  0.001373139431  0.004929777954
  12  Al  8.065111963898  4.075160897089  3.993797483643  0.246278781928  -0.029157024458  0.205884229476  -0.001540726560  0.001480765874  -0.002854679811
  13  Al  0.005872116144  6.050733135424  6.013493350852  -0.041457619450  0.021401557379  0.138314684109  0.000293555403  -0.001375549528  -0.003354957927
  14  Al  2.011310497341  4.020686316646  6.100588592227  -0.104329111893  -0.145488477135  -0.158283600031  -0.001063899006  -0.002077635355  0.001191831368
  15  Al  2.087539907513  6.083764221497  3.979732720423  -0.276350138059  -0.108250579499  0.038221312884  0.003096616993  0.000297945451  -0.004159315817
  16  Al  4.128361925403  0.084109620015  8.099756740878  -0.026202454079  -0.073445719415  0.195254928223  0.004547437938  0.004861193302  0.000415765710
  17  Al  3.960516873330  1.953393605064  2.013353363513  0.289641854553  0.131124833431  -0.008931475814  -0.004648711660  -0.003949883096  -0.000725826979
  18  Al  6.133534100008  8.028599218866  1.942586608357  -0.268258044301  0.034958207956  0.155507129604  0.002862605961  -0.004209026140  -0.004567371401
  19  Al  6.098404789220  2.103155186769  7.998296933172  -0.199653424061  -0.292158826552  0.122944757649  0.000923747799  0.004032138032  -0.005851085211
  20  Al  4.072640486655  0.085186082335  4.057516829717  -0.127179391187  -0.278991414941  -0.043900440223  0.001076095516  0.004435301068  0.000331124734
  21  Al  4.068893239764  2.001227360103  6.094756982414  0.036120994411  0.122742132519  0.137345470357  0.001196779189  -0.001163366445  0.001482208718
  22  Al  6.076283866767  0.010608560916  6.086003734796  0.010503011101  0.232752736035  0.089131155626  0.000126464234  0.001167916108  0.000842484937
  23  Al  6.137256931951  2.037736219734  4.030843127079  -0.178962803315  -0.009242718035  0.248847174803  0.003282084448  0.000722662210  -0.000547161203
  24  Al  4.067572439096  4.039916565888  0.087398146049  0.103463618508  -0.082041654440  -0.305968564691  0.001262945984  -0.000779571503  0.004558863541
  25  Al  4.021063775262  6.154305559089  2.099844966815  0.113946475043  -0.131214630954  -0.190786260781  -0.001519894925  0.004377134007  0.004047268004
  26  Al  6.032400124773  4.111917493920  1.970253445814  0.049596758553  0.002752260822  0.151649324630  -0.002463518041  0.003722318396  -0.002955121790
  27  Al  6.042879449386  6.109710336027  0.072127236025  0.020640267930  -0.139133461347  -0.218248349844  -0.001823071091  0.001759468958  0.003888558116
  28  Al  4.066717618001  4.084087670050  4.107897006679  -0.044423588396  0.000114014545  -0.219764454624  0.000890475197  0.001995085435  0.002898803974
  29  Al  3.983869586382  6.097413833261  6.179362970216  0.324348091644  -0.056216800431  -0.197296339738  -0.003181300710  0.001199264791  0.005688517019
  30  Al  6.094385926794  3.976750673165  6.090641370208  -0.027103479539  0.155060947981  -0.041923617260  0.001105294836  -0.004083278955  0.000919129791
  31  Al  6.141442140171  6.045719811983  4.040602020249  -0.148039606999  0.101980931681  -0.160368881303  0.003613483657  -0.001525932060  -0.000925628066


MDSTEP:  35
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -79.109309697042  -0.197474965765  0.100691228535
  -0.197474965765  -79.493113036194  -1.106576908931
  0.100691228535  -1.106576908931  -74.897481256841
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.026489976188  8.077917347752  8.062096828949  0.223299118926  0.025268420513  -0.128903728480  -0.003740994116  -0.001213688272  -0.002473119503
  1  Al  8.067103688939  1.974757120872  1.955422878923  0.186353647736  0.129815996960  0.014105813562  -0.001469181687  -0.002605433503  -0.003960101426
  2  Al  1.982607815982  8.028714200586  1.988884600825  0.067948844615  0.109949467890  0.153646678494  -0.002247507214  -0.003955290256  -0.001733351880
  3  Al  1.978743367775  2.002579298658  8.083077535994  0.010874458904  -0.031375414136  -0.197052220341  -0.002587061293  -0.001346064122  -0.001468182337
  4  Al  0.014821088402  8.045306729813  4.156678258726  0.150185328319  0.051746800904  -0.336252398843  0.001180326283  -0.003051043231  0.005422666912
  5  Al  0.009627354374  2.023070507721  6.115573436108  -0.009054305056  -0.062786723914  -0.129684075359  0.000512263242  -0.000233256179  0.002066960235
  6  Al  2.003685196293  8.092614739631  6.059783982584  -0.052583264454  0.217291893843  0.081729544071  -0.001379288160  0.000104063764  -0.000716779467
  7  Al  2.019137556254  2.038633828957  4.094092937047  -0.038092729026  -0.099271016300  0.025514230523  -0.000412095599  0.000558102616  0.002626470856
  8  Al  8.069742205784  4.114436745844  8.006783137436  -0.003652159697  -0.179563583620  0.191031358170  -0.001741321693  0.003297155919  -0.004946795669
  9  Al  0.022078922865  6.065848939171  2.019868918676  -0.029346906543  -0.008079058075  0.103449562327  0.001237714134  -0.000539559370  -0.000042219181
  10  Al  2.066251072572  3.977783528002  2.016819745028  -0.131516613029  0.406654939173  0.211309832583  0.002122803039  -0.003175991390  -0.000031038078
  11  Al  2.039586825894  6.098671629003  0.081841521218  -0.128964940664  -0.006792243338  0.071703820808  0.000531942338  0.001371973683  0.004943081843
  12  Al  8.064352609191  4.075899976718  3.992379346688  0.255195212951  -0.034472717820  0.208669089539  -0.001495895145  0.001475077421  -0.002817619043
  13  Al  0.006017040704  6.050046317302  6.011822054505  -0.041660854341  0.023308222218  0.143541601631  0.000286124671  -0.001371552506  -0.003329760178
  14  Al  2.010773884365  4.019640995685  6.101177432691  -0.107330127627  -0.144657109999  -0.164185551497  -0.001082821189  -0.002103574162  0.001163002857
  15  Al  2.089075863258  6.083908355461  3.977654770994  -0.285825330209  -0.109989042432  0.046613278010  0.003046358911  0.000278434986  -0.004151731665
  16  Al  4.130634473132  0.086536933669  8.099973351558  -0.029289889465  -0.080408188399  0.198563500538  0.004542476963  0.004847438874  0.000450972794
  17  Al  3.958205464386  1.951424524749  2.012990050790  0.293312646461  0.133431324942  -0.006360357222  -0.004596595947  -0.003926231966  -0.000727194058
  18  Al  6.134953411951  8.026496268415  1.940309873770  -0.269238287005  0.042710239380  0.163142575815  0.002814554176  -0.004202082637  -0.004538884346
  19  Al  6.098857738683  2.105158196390  7.995376886153  -0.198263697718  -0.303909575739  0.136032375479  0.000888174294  0.003978849946  -0.005827932841
  20  Al  4.073172849540  0.087391262053  4.057680429750  -0.133280987562  -0.286460566806  -0.043559626485  0.001052810546  0.004384750067  0.000323305867
  21  Al  4.069493243954  2.000651163410  6.095504226066  0.033310604575  0.125129297872  0.137024599343  0.001202986324  -0.001141206918  0.001506737205
  22  Al  6.076347568365  0.011202922934  6.086428961395  0.011860609837  0.233298125322  0.089812051461  0.000128463526  0.001209580720  0.000858482331
  23  Al  6.138889974602  2.038097137693  4.030580669857  -0.179003708335  -0.010785768942  0.249268322332  0.003250082499  0.000720871677  -0.000502630036
  24  Al  4.068208536874  4.039523112904  0.089663901135  0.102325867752  -0.081981623817  -0.316663851690  0.001281343416  -0.000794235066  0.004503200651
  25  Al  4.020308921166  6.156488260846  2.101860072740  0.117758484312  -0.132014602851  -0.197619126142  -0.001499180669  0.004353601503  0.004012544842
  26  Al  6.031170582710  4.113778776143  1.968782663589  0.058512192136  -0.003157724688  0.159229684169  -0.002453853179  0.003722282147  -0.002927329430
  27  Al  6.041968836453  6.110583851290  0.074061759460  0.023055217817  -0.141490228642  -0.230777007366  -0.001819164746  0.001734381402  0.003848415572
  28  Al  4.067160869881  4.085085217864  4.109336585274  -0.048372812079  0.000400528794  -0.222605043787  0.000882179266  0.001995131435  0.002859256460
  29  Al  3.982293434270  6.098010952785  6.182198409650  0.327637824077  -0.055661071457  -0.200831166408  -0.003123013638  0.001189262990  0.005652924707
  30  Al  6.094937362696  3.974715964857  6.091099061133  -0.026232988029  0.166367801111  -0.048856221043  0.001100526595  -0.004054543456  0.000911014139
  31  Al  6.143242264682  6.044961404464  4.040132037784  -0.149920457579  0.107483202053  -0.161037544193  0.003586846242  -0.001507206117  -0.000954361570


MDSTEP:  36
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -78.861472581936  -0.202191599948  0.113339103027
  -0.202191599948  -79.273106189199  -1.153388420438
  0.113339103027  -1.153388420438  -74.473704046026
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.024629460521  8.077311633105  8.060854507247  0.226865694226  0.025958044489  -0.129189109183  -0.003700749705  -0.001209108663  -0.002496192817
  1  Al  8.066377428036  1.973460206849  1.953443458735  0.187301003809  0.135720410398  0.013617527289  -0.001435777230  -0.002581694740  -0.003957622979
  2  Al  1.981487099664  8.026741470159  1.988024792837  0.070360844820  0.120763968348  0.156072333041  -0.002235142428  -0.003934664641  -0.001705663223
  3  Al  1.977450323212  2.001904864127  8.082334636662  0.012222331558  -0.030283053345  -0.195675099199  -0.002584996457  -0.001351576345  -0.001503291877
  4  Al  0.015417964774  8.043783521261  4.159374561821  0.150553357788  0.055852009065  -0.347851732756  0.001207212105  -0.003041423975  0.005361508495
  5  Al  0.009883081271  2.022951073088  6.116601119394  -0.011136970189  -0.062527948015  -0.132762113691  0.000510458157  -0.000244459220  0.002043497735
  6  Al  2.002993201760  8.092676484382  6.059429246132  -0.047005731472  0.217303307001  0.086496787256  -0.001388191344  0.000142916262  -0.000701740154
  7  Al  2.018929805723  2.038908442887  4.095407312953  -0.035986822023  -0.099385104537  0.021440342274  -0.000418718257  0.000540342902  0.002630668561
  8  Al  8.068871381687  4.116077297376  8.004318278635  -0.006354550811  -0.184299473564  0.198115670485  -0.001742216285  0.003264626824  -0.004912006205
  9  Al  0.022696468136  6.065578798355  2.019852433244  -0.035061564260  -0.010145393602  0.102169705225  0.001231956063  -0.000541188623  -0.000023836966
  10  Al  2.067306595346  3.976213709637  2.016813671462  -0.134434631658  0.410590876825  0.215674414172  0.002099027190  -0.003102930202  0.000007134007
  11  Al  2.039847032376  6.099357312234  0.084316267275  -0.127247529647  -0.010802404096  0.064817618010  0.000509037127  0.001370400734  0.004955286761
  12  Al  8.063616068752  4.076635974510  3.990979864600  0.258720120337  -0.039584511063  0.211582239543  -0.001449951484  0.001468456758  -0.002780048876
  13  Al  0.006158240815  6.049361582919  6.010163590674  -0.046724621840  0.021370956302  0.151164637718  0.000278223073  -0.001367558219  -0.003303413653
  14  Al  2.010227676152  4.018582742484  6.101751595085  -0.103895856696  -0.142949191401  -0.167557006746  -0.001101704640  -0.002129285959  0.001133345311
  15  Al  2.090586266424  6.084042656484  3.975580988758  -0.289078301625  -0.115023890065  0.055856074277  0.002994962940  0.000258318992  -0.004142570979
  16  Al  4.132904402366  0.088957058888  0.000211465928  -0.027738236632  -0.087588284519  0.201039905443  0.004537378689  0.004832420110  0.000486697051
  17  Al  3.955920277382  1.949467373098  2.012626169455  0.302088428239  0.139317085989  -0.005874734631  -0.004543367520  -0.003901848455  -0.000728287866
  18  Al  6.136348654184  8.024397136229  1.938047724011  -0.276081632240  0.050699801573  0.168122139493  0.002765802968  -0.004193731846  -0.004509269519
  19  Al  6.099292963514  2.107134036714  7.992469000330  -0.202447682553  -0.312093275903  0.149779133905  0.000852350985  0.003923779734  -0.005802381498
  20  Al  4.073693297201  0.089570832402  4.057840135584  -0.134781621287  -0.293457234139  -0.042448147616  0.001028845942  0.004332905833  0.000315616834
  21  Al  4.070096226088  2.000086153185  6.096263719619  0.035253170446  0.131111888060  0.138563066155  0.001209115877  -0.001118299140  0.001531374544
  22  Al  6.076412330293  0.011818141636  6.086862217127  0.006802200970  0.233212082390  0.092834292890  0.000130131967  0.001251286397  0.000874810783
  23  Al  6.140507014450  2.038457091411  4.030340497043  -0.185470648423  -0.008598946848  0.249671307983  0.003217498754  0.000719138698  -0.000458025192
  24  Al  4.068853782512  4.039122330821  0.091901346700  0.105859151126  -0.081729099151  -0.328284606644  0.001299955007  -0.000808870687  0.004445542723
  25  Al  4.019564594593  6.158659160592  2.103857511657  0.127034855467  -0.136238962444  -0.206630299373  -0.001477296320  0.004329619827  0.003976405234
  26  Al  6.029946271594  4.115639776067  1.967326116383  0.061919263337  -0.009500145616  0.164634149138  -0.002443086693  0.003721150543  -0.002898376237
  27  Al  6.041060284640  6.111444717429  0.075975651597  0.019459426492  -0.147428166238  -0.244490431808  -0.001815363968  0.001708552306  0.003805927005
  28  Al  4.067599797266  4.086082801485  4.110756263139  -0.047330636300  0.000676086087  -0.224565784001  0.000873623446  0.001995227684  0.002819279709
  29  Al  3.980746572743  6.098603096251  6.185015894922  0.336012774720  -0.058701293372  -0.201837626613  -0.003063683752  0.001179039077  0.005616926406
  30  Al  6.095486453388  3.972696129710  6.091552384347  -0.031518881432  0.178895873832  -0.053734159122  0.001095363619  -0.004023677132  0.000901842633
  31  Al  6.145028986413  6.044212605866  4.039647658679  -0.158156704247  0.108863987560  -0.160750492914  0.003559304365  -0.001487864834  -0.000983129189


MDSTEP:  37
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -78.608256662263  -0.207453065831  0.125883378265
  -0.207453065831  -79.047192481625  -1.199986372579
  0.125883378265  -1.199986372579  -74.042998766467
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.022789226483  8.076708239088  8.059600636132  0.234069651077  0.026627898073  -0.130068997124  -0.003659542417  -0.001204407518  -0.002519370305
  1  Al  8.065667911709  1.972175426133  1.951465255943  0.191846887051  0.138777332468  0.016391524835  -0.001401881682  -0.002557154839  -0.003954940192
  2  Al  1.980372673555  8.024779535945  1.987178937603  0.069233410000  0.132445210677  0.161091581589  -0.002222662802  -0.003912027923  -0.001677308997
  3  Al  1.976158371318  2.001227722313  8.081574244117  0.010162527508  -0.031960112572  -0.194441734640  -0.002582995266  -0.001357140839  -0.001538168041
  4  Al  0.016028300507  8.042265305839  4.162039767221  0.154147313600  0.060748779395  -0.358948422105  0.001234452126  -0.003030999948  0.005298321069
  5  Al  0.010137812531  2.022826048501  6.117616933843  -0.009401641725  -0.065129019751  -0.139103821983  0.000508622020  -0.000255871661  0.002019193116
  6  Al  2.002297004948  8.092757655893  6.059082242430  -0.044602062114  0.216910123270  0.088557860915  -0.001396381015  0.000181734630  -0.000686090395
  7  Al  2.018718837996  2.039174171859  4.096723605609  -0.037821706982  -0.102208348002  0.017651681103  -0.000425316687  0.000522320593  0.002634163360
  8  Al  8.067999989499  4.117701372668  8.001871131231  -0.004980797495  -0.188738525417  0.204589343902  -0.001743229657  0.003231277495  -0.004876004667
  9  Al  0.023310878928  6.065307750548  2.019845081710  -0.037052421311  -0.009523505827  0.103214417582  0.001225509124  -0.000542947009  -0.000005475773
  10  Al  2.068350099761  3.974680597800  2.016826879034  -0.141273540088  0.413886254425  0.222496476125  0.002074379077  -0.003029222540  0.000046306169
  11  Al  2.040095863021  6.100042029738  0.086796807979  -0.128722169528  -0.012400007707  0.056801612748  0.000486153621  0.001368326455  0.004966159433
  12  Al  8.062902657707  4.077368433476  3.989599297812  0.266143882592  -0.045449916030  0.215072676074  -0.001403029020  0.001460854742  -0.002741906234
  13  Al  0.006295263777  6.048678759083  6.008518640852  -0.048043440974  0.022558364247  0.156420932655  0.000269750876  -0.001363630970  -0.003275915724
  14  Al  2.009672179724  4.017511709727  6.102310778003  -0.103788918378  -0.140924778555  -0.173620713341  -0.001120271510  -0.002154664087  0.001102844269
  15  Al  2.092070826198  6.084166674453  3.973512200015  -0.295902949306  -0.117292813450  0.066645866308  0.002942666037  0.000237550046  -0.004131619394
  16  Al  4.135171851821  0.091369353779  0.000463800866  -0.029635709334  -0.095356233455  0.202468102494  0.004532249500  0.004816065002  0.000522770377
  17  Al  3.953662096866  1.947522676294  2.012261762924  0.306767299170  0.142242927112  -0.002623580885  -0.004488936256  -0.003876677192  -0.000729047609
  18  Al  6.137719214918  8.022302536569  1.935800604250  -0.278895759255  0.059785922835  0.175960137866  0.002716188388  -0.004183854502  -0.004478508811
  19  Al  6.099710089668  2.109081976124  7.989574504655  -0.202948949472  -0.323291197560  0.163252913771  0.000816108818  0.003866976819  -0.005774396658
  20  Al  4.074201695482  0.091724167886  4.057996046584  -0.139845101168  -0.300387806419  -0.040370582307  0.001004294510  0.004279816514  0.000308212899
  21  Al  4.070702359831  1.999532864270  6.097035600610  0.033313336681  0.134164876350  0.137199501174  0.001215245673  -0.001094583588  0.001556027519
  22  Al  6.076477700332  0.012454209331  6.087303772178  0.005242672432  0.232521771864  0.093102828578  0.000131208770  0.001292922668  0.000891433428
  23  Al  6.142107473356  2.038816276390  4.030122644665  -0.187674440198  -0.009440263749  0.250153598456  0.003184139852  0.000717526005  -0.000413341205
  24  Al  4.069508491881  4.038714242217  0.094109443858  0.105430871860  -0.081008006089  -0.340526770728  0.001318844182  -0.000823419267  0.004385751467
  25  Al  4.018831624845  6.160817880673  2.105836477974  0.132374841731  -0.137644421024  -0.213400287105  -0.001454105280  0.004305134850  0.003938854802
  26  Al  6.028727496016  4.117499926686  1.965884287352  0.069020775698  -0.016494192196  0.172703943152  -0.002431380748  0.003718826668  -0.002868218454
  27  Al  6.040153472485  6.112292403596  0.077867686465  0.019042301262  -0.150376917476  -0.259406231032  -0.001811921941  0.001681928745  0.003760879006
  28  Al  4.068034493327  4.087080445548  4.112155864984  -0.050156993674  0.000790067125  -0.225630323807  0.000864908122  0.001995358757  0.002779032501
  29  Al  3.979229750517  6.099189991863  6.187815336056  0.340045082767  -0.058762482866  -0.205043833570  -0.003003244666  0.001168537900  0.005580551497
  30  Al  6.096032726315  3.970692287725  6.092000903766  -0.033496311147  0.191459578647  -0.061417596428  0.001089551308  -0.003990567621  0.000891548149
  31  Al  6.146801569048  6.043473539630  4.039148908596  -0.162597941278  0.113469441657  -0.159172104271  0.003530629131  -0.001467988386  -0.001011730039


MDSTEP:  38
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -78.346847299902  -0.211471408765  0.140047910409
  -0.211471408765  -78.815580984038  -1.245128112265
  0.140047910409  -1.245128112265  -73.609594153148
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.020969918103  8.076107225587  8.058335136942  0.239035673161  0.027266015669  -0.129778751933  -0.003617247142  -0.001199589441  -0.002542600507
  1  Al  8.064975546355  1.970903052010  1.949488518543  0.194152397225  0.143422145298  0.017672698529  -0.001367373624  -0.002531926409  -0.003951894875
  2  Al  1.979264436862  8.022829442237  1.986347483840  0.069252220286  0.144562552287  0.164782455450  -0.002210282286  -0.003887263628  -0.001648176093
  3  Al  1.974867327946  2.000547723288  8.080796468621  0.009412272379  -0.032031037556  -0.191723671824  -0.002581245293  -0.001362861602  -0.001572690950
  4  Al  0.016652416900  8.040752521313  4.164672882890  0.155540495632  0.065689913593  -0.370991496945  0.001262137993  -0.003019696420  0.005233064966
  5  Al  0.010391703291  2.022695201426  6.118620312510  -0.009921178066  -0.066037727026  -0.143860827375  0.000506894574  -0.000267597874  0.001993896280
  6  Al  2.001596820745  8.092858219013  6.058743155737  -0.040478971673  0.215972367188  0.092082473355  -0.001403987198  0.000220434014  -0.000669941279
  7  Al  2.018504489036  2.039430763479  4.098041476313  -0.037954384119  -0.103415183607  0.012543448182  -0.000432091015  0.000503937997  0.002636862783
  8  Al  8.067128152030  4.119308574871  7.999442273968  -0.005873192737  -0.193274377399  0.212048317775  -0.001744199996  0.003197125816  -0.004838757560
  9  Al  0.023921977260  6.065035851346  2.019846957471  -0.041412282333  -0.010432983218  0.102723757727  0.001218494436  -0.000544731104  0.000012934951
  10  Al  2.069380974424  3.973184487097  2.016859977631  -0.146615693472  0.416477318759  0.227852863977  0.002048641987  -0.002954988634  0.000086567076
  11  Al  2.040333185997  6.100725638690  0.089282426707  -0.128704148664  -0.015572882854  0.048813592362  0.000463139893  0.001365825699  0.004975601356
  12  Al  8.062213039732  4.078096829252  3.988237958367  0.271014059687  -0.051363593592  0.217427962931  -0.001355007487  0.001452199684  -0.002703240988
  13  Al  0.006427991691  6.047997951949  6.006887674950  -0.051488914316  0.021913010861  0.163224541017  0.000260852756  -0.001359655261  -0.003247339649
  14  Al  2.009107404642  4.016428078396  6.102854439354  -0.102010569226  -0.138319708583  -0.178265000975  -0.001138669836  -0.002179628343  0.001071385939
  15  Al  2.093528932461  6.084280206529  3.971449369364  -0.300977252719  -0.121153325255  0.076987338612  0.002889305376  0.000216233133  -0.004118778689
  16  Al  4.137436651866  0.093773123890  0.000734236305  -0.029558063422  -0.103202225723  0.204435286392  0.004526957619  0.004798314018  0.000559147247
  17  Al  3.951431341126  1.945590695906  2.011897121846  0.313449625867  0.146961329093  -0.000600522673  -0.004433489309  -0.003850822540  -0.000729335842
  18  Al  6.139064842572  8.020213281727  1.933569215200  -0.282813550446  0.069113054352  0.182443218922  0.002665971980  -0.004172331026  -0.004446467809
  19  Al  6.100109072332  2.111001013533  7.986694603672  -0.204535337721  -0.332887129193  0.178402390641  0.000779680016  0.003808314949  -0.005743852920
  20  Al  4.074697591711  0.093850648917  4.058148348483  -0.142891252627  -0.307047662000  -0.038847799768  0.000979018084  0.004225512220  0.000301130833
  21  Al  4.071311471761  1.998991569597  6.097819747138  0.033409150027  0.138776237206  0.136859307892  0.001221210615  -0.001070182849  0.001580528179
  22  Al  6.076543539063  0.013111064305  6.087753650555  0.002037787989  0.231465903219  0.094750995459  0.000131859638  0.001334402832  0.000908227425
  23  Al  6.143691154302  2.039174617417  4.029927155838  -0.191418107099  -0.008440118018  0.249391368677  0.003150249251  0.000715927512  -0.000368682245
  24  Al  4.070172626694  4.038298911554  0.096287098168  0.107018035501  -0.080205181939  -0.352015015050  0.001337836962  -0.000837831610  0.004323838730
  25  Al  4.018110489313  6.162964295442  2.107796366459  0.140239528606  -0.140574536903  -0.221573115183  -0.001429733752  0.004280262275  0.003899968493
  26  Al  6.027514890846  4.119358602735  1.964457897929  0.075060642615  -0.023963373793  0.179569038482  -0.002418499973  0.003715209791  -0.002836725503
  27  Al  6.039248362699  6.113126646174  0.079736530603  0.017331711993  -0.154959531386  -0.273948768744  -0.001808670130  0.001654631887  0.003713197453
  28  Al  4.068464705388  4.088078160242  4.113535295640  -0.050730420855  0.000802410743  -0.227327733105  0.000855888860  0.001995501123  0.002738538377
  29  Al  3.977743328077  6.099771634151  6.190596446419  0.346064850135  -0.060425729788  -0.206845850987  -0.002941906932  0.001157882560  0.005543728855
  30  Al  6.096576004696  3.968705562089  6.092443932496  -0.036948790244  0.204721177402  -0.068059552812  0.001083253566  -0.003955149346  0.000879972985
  31  Al  6.148559615544  6.042744617480  4.038635928641  -0.168686341365  0.116162872161  -0.158172949011  0.003501012554  -0.001447459422  -0.001040100458


MDSTEP:  39
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -78.078466810430  -0.215408142205  0.154813635499
  -0.215408142205  -78.578031347560  -1.288953531420
  0.154813635499  -1.288953531420  -73.172345102916
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.019171979341  8.075508649648  8.057058035625  0.247000346463  0.027968231379  -0.129461016761  -0.003573795871  -0.001194651539  -0.002565776356
  1  Al  8.064300538085  1.969643499724  1.947513361069  0.198976175185  0.145895328609  0.019892376368  -0.001332228212  -0.002506061635  -0.003948536584
  2  Al  1.978162391269  8.020892272317  1.985530761510  0.065981670040  0.157604797331  0.168932430125  -0.002198192474  -0.003860250084  -0.001618342222
  3  Al  1.973577126024  1.999864860711  8.080001553167  0.005421858476  -0.034470581053  -0.188693449844  -0.002579919133  -0.001368806799  -0.001606699967
  4  Al  0.017290438501  8.039245609418  4.167272832187  0.159194459213  0.071245292479  -0.383100942080  0.001290275072  -0.003007454511  0.005165649645
  5  Al  0.010644707104  2.022558450626  6.119610830122  -0.007622532909  -0.068999672191  -0.149439935654  0.000505326179  -0.000279670121  0.001967675402
  6  Al  2.000893017750  8.092978089906  6.058412301151  -0.039136636673  0.214584111773  0.095202566332  -0.001411104776  0.000258925453  -0.000653198131
  7  Al  2.018286746982  2.039678109856  4.099360468392  -0.041492368498  -0.106564169454  0.007219348748  -0.000439193497  0.000485165994  0.002638629563
  8  Al  8.066255789502  4.120898498484  7.997032373672  -0.004028257295  -0.197696965783  0.219560429470  -0.001745085179  0.003162173260  -0.004800172048
  9  Al  0.024529373364  6.064763019444  2.019858016662  -0.043275008882  -0.009260965972  0.102501323981  0.001210923453  -0.000546491729  0.000031281926
  10  Al  2.070398741748  3.971725609166  2.016913446110  -0.155420884869  0.418309901680  0.233793300784  0.002021640134  -0.002880359257  0.000127837911
  11  Al  2.040559002914  6.101407855437  0.091772409335  -0.131655332738  -0.016701555314  0.039953940739  0.000439863943  0.001362940388  0.004983537110
  12  Al  8.061547650220  4.078820633160  3.986896056824  0.278799264108  -0.057829117431  0.219728910225  -0.001305854571  0.001442437934  -0.002664159478
  13  Al  0.006556116533  6.047319103823  6.005271301204  -0.052287769030  0.023504941353  0.169647799408  0.000251575195  -0.001355594928  -0.003217581101
  14  Al  2.008533509889  4.015332081383  6.103382163942  -0.103090712781  -0.135362914238  -0.183731941504  -0.001157005743  -0.002204095373  0.001039023673
  15  Al  2.094960131574  6.084382907586  3.969393421326  -0.309023716260  -0.123037377560  0.088306638204  0.002834771729  0.000194402660  -0.004104001526
  16  Al  4.139698809441  0.096167667797  0.001022948113  -0.032263149594  -0.111607674162  0.205907279615  0.004521430847  0.004779110168  0.000595831577
  17  Al  3.949228607557  1.943671853754  2.011532427082  0.317035721703  0.149467994980  0.002363493954  -0.004377124373  -0.003824321971  -0.000729178233
  18  Al  6.140385186898  8.018130205543  1.931354136441  -0.283013825259  0.079413825176  0.189947221648  0.002615387420  -0.004159052830  -0.004413176372
  19  Al  6.100489769684  2.112890291073  7.983830651735  -0.202417639166  -0.344531365251  0.194001523178  0.000743298713  0.003747754223  -0.005710560278
  20  Al  4.075180713565  0.095949680107  4.058297177417  -0.148342485280  -0.313888380191  -0.036977558092  0.000952981997  0.004170000985  0.000294352100
  21  Al  4.071923570446  1.998462681421  6.098616128789  0.030526411032  0.141295549231  0.135487121988  0.001226926408  -0.001045144633  0.001604875754
  22  Al  6.076609559971  0.013788612163  6.088211999603  0.001826928081  0.229571680376  0.095496677596  0.000132205141  0.001375619261  0.000925235430
  23  Al  6.145257722607  2.039532203902  4.029753962420  -0.191538985097  -0.009648382149  0.248004574294  0.003116013162  0.000714310413  -0.000324215405
  24  Al  4.070846328843  4.037876410606  0.098433282588  0.105728616695  -0.079002656221  -0.363764070121  0.001356856360  -0.000852064676  0.004259848595
  25  Al  4.017401891094  6.165098142949  2.109736446467  0.145405956897  -0.141280610386  -0.229156240618  -0.001404197251  0.004255064628  0.003859673613
  26  Al  6.026308996043  4.121215136476  1.963047561849  0.084493950207  -0.032029613329  0.187082120671  -0.002404235907  0.003710204058  -0.002803947153
  27  Al  6.038344802355  6.113947035482  0.081580883918  0.018660201741  -0.157471068679  -0.289258302664  -0.001805452479  0.001626700816  0.003662847146
  28  Al  4.068890382187  4.089075946671  4.114894403361  -0.054197144589  0.000820001677  -0.228404324714  0.000846508411  0.001995646166  0.002697796259
  29  Al  3.976287843585  6.100347874422  6.193359064911  0.348963971223  -0.059949859466  -0.209231752483  -0.002879771856  0.001147121069  0.005506531817
  30  Al  6.097115979881  3.966737138379  6.092880876751  -0.037454232659  0.218333685448  -0.075511654954  0.001076601990  -0.003917328546  0.000867137822
  31  Al  6.150302581602  6.042026080208  4.038108808138  -0.171754849485  0.121317587340  -0.156297887840  0.003470577357  -0.001426228840  -0.001068213924


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)
  -77.800473508860  -0.217979114768  0.172129649603
  -0.217979114768  -78.335667849929  -1.331756305133
  0.172129649603  -1.331756305133  -72.733899974727
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.017396122232  8.074912574048  8.055769360586  0.250447527105  0.028902579048  -0.128561452322  -0.003529324389  -0.001189567329  -0.002588843379
  1  Al  8.063643318142  1.968396990375  1.945539981959  0.199575666641  0.150846602750  0.020853957747  -0.001296597964  -0.002479533120  -0.003944893891
  2  Al  1.977066244389  8.018969192152  1.984729141618  0.067346981599  0.171251855989  0.172172889701  -0.002186272988  -0.003830850536  -0.001587847652
  3  Al  1.972287408813  1.999178916489  8.079189768654  0.006251913128  -0.034221013414  -0.184837873348  -0.002578875506  -0.001374947778  -0.001640093399
  4  Al  0.017942691972  8.037745066802  4.169838532535  0.159103526923  0.077183247916  -0.395212203080  0.001318730683  -0.002994185107  0.005096069010
  5  Al  0.010897029469  2.022415531306  6.120587987912  -0.009481883699  -0.069437581880  -0.153939623538  0.000503797056  -0.000292046311  0.001940553488
  6  Al  2.000185715969  8.093117144466  6.058089957606  -0.032466246670  0.212772113207  0.099116013045  -0.001417506022  0.000297130792  -0.000635826190
  7  Al  2.018065295539  2.039915929473  4.100680105875  -0.039785020602  -0.107430907238  0.001248406726  -0.000446459637  0.000466034988  0.002639386574
  8  Al  8.065383066851  4.122470748131  7.994642101920  -0.006268056216  -0.202665658034  0.227150479673  -0.001746005662  0.003126381129  -0.004760236414
  9  Al  0.025132900714  6.064489359617  2.019878239397  -0.049056723102  -0.010397669037  0.101061654561  0.001202669063  -0.000548249197  0.000049480310
  10  Al  2.071402614558  3.970304127839  2.016987815542  -0.159129451085  0.419129707099  0.238622069467  0.001993519561  -0.002805492759  0.000170071505
  11  Al  2.040773049939  6.102088579077  0.094265963817  -0.129444190480  -0.020327515874  0.030289811930  0.000416521833  0.001359630015  0.004989816850
  12  Al  8.060907185161  4.079539267186  3.985573798888  0.282039809693  -0.064758380809  0.221608351590  -0.001255715962  0.001431478700  -0.002624704244
  13  Al  0.006679566886  6.046642357021  6.003670093849  -0.057019907392  0.022452157723  0.177343370312  0.000241803167  -0.001351486397  -0.003186560340
  14  Al  2.007950398899  4.014223983023  6.103893463027  -0.098880712352  -0.131973837106  -0.187808516975  -0.001175061843  -0.002227995086  0.001005808223
  15  Al  2.096363704190  6.084474609189  3.967345367838  -0.311794972892  -0.127134888834  0.099947549195  0.002779270985  0.000172037439  -0.004087171737
  16  Al  4.141958082713  0.098552234058  0.001330067882  -0.031079547775  -0.119835020485  0.207117765091  0.004515768056  0.004758419358  0.000632755719
  17  Al  3.947054216753  1.941766373934  2.011167943613  0.324774985178  0.154414348184  0.004413451403  -0.004319746958  -0.003797155109  -0.000728572379
  18  Al  6.141680229992  8.016054228897  1.929156038828  -0.288083220539  0.090491134858  0.196023457356  0.002564331755  -0.004143863449  -0.004378670871
  19  Al  6.100852371045  2.114748767757  7.980984043394  -0.204972912957  -0.353900682150  0.210616849868  0.000706878291  0.003685314901  -0.005674387687
  20  Al  4.075650573708  0.098020649902  4.058442700584  -0.150037617667  -0.319835456572  -0.034773585895  0.000926307031  0.004113346530  0.000287937600
  21  Al  4.072538398170  1.997946424964  6.099424622892  0.031577839536  0.146124987968  0.134744271614  0.001232478484  -0.001019449444  0.001629034246
  22  Al  6.076675744204  0.014486683565  6.088678885985  -0.003712013511  0.227549399046  0.097318248761  0.000132036616  0.001416485556  0.000942472945
  23  Al  6.146807167464  2.039888927830  4.029602940433  -0.196800047107  -0.008340330862  0.246140979900  0.003081295932  0.000712702235  -0.000280039148
  24  Al  4.071529483054  4.037446846878  0.100546946763  0.108151534012  -0.077911814560  -0.375742190318  0.001375977091  -0.000866092717  0.004193737267
  25  Al  4.016706292062  6.167219360070  2.111656040071  0.154966319308  -0.144260235522  -0.237849733304  -0.001377344185  0.004229537482  0.003817923615
  26  Al  6.025110654939  4.123068806793  1.961653950776  0.089459830884  -0.040979967140  0.193702322570  -0.002388684564  0.003703677054  -0.002769905298
  27  Al  6.037442910220  6.114753346990  0.083399377749  0.014996897347  -0.162337679851  -0.305190051705  -0.001802443559  0.001598110144  0.003609703891
  28  Al  4.069311213799  4.090073806408  4.116233091899  -0.053586347348  0.000359339712  -0.229261001444  0.000836872644  0.001995751598  0.002656881308
  29  Al  3.974863556221  6.100918755219  6.196102978236  0.355963484007  -0.061870961402  -0.210238549070  -0.002816751849  0.001136230375  0.005469031474
  30  Al  6.097652606685  3.964788233543  6.093311070319  -0.043030771422  0.232554849282  -0.082097485547  0.001069406688  -0.003877019435  0.000853047679
  31  Al  6.152030192900  6.041318388641  4.037567714716  -0.180026672546  0.123587277986  -0.153979633965  0.003439128342  -0.001404334521  -0.001095952512


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)
  -77.517809545834  -0.221129975115  0.189285537555
  -0.221129975115  -78.087483371739  -1.373293049869
  0.189285537555  -1.373293049869  -72.290525410354
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.015642654952  8.074319082318  8.054469192246  0.258734991627  0.029482096406  -0.128016108121  -0.003483803839  -0.001184347781  -0.002611781228
  1  Al  8.063003940121  1.967163966604  1.943568467177  0.204848479942  0.153725625743  0.024384926903  -0.001260442737  -0.002452304582  -0.003940849567
  2  Al  1.975976118280  8.017061421780  1.983942913858  0.063442933447  0.185420037068  0.177589043964  -0.002174580464  -0.003798964326  -0.001556579187
  3  Al  1.970998250518  1.998489912933  8.078361459768  0.001871490162  -0.035999074022  -0.180885878302  -0.002578149280  -0.001381225403  -0.001672788839
  4  Al  0.018609169184  8.036251424312  4.172368901196  0.163094413777  0.083308835147  -0.407173307118  0.001347534947  -0.002979837230  0.005024336322
  5  Al  0.011148504160  2.022266404315  6.121551383611  -0.006558155864  -0.071844863137  -0.160946460292  0.000502363088  -0.000304676860  0.001912402899
  6  Al  1.999475511728  8.093275220698  6.057776474962  -0.030611808592  0.210190697456  0.100893494489  -0.001423145155  0.000334943363  -0.000617945484
  7  Al  2.017840287344  2.040144144844  4.101999854966  -0.043506725132  -0.110172422022  -0.004702232094  -0.000453905859  0.000446581407  0.002639077804
  8  Al  8.064509783840  4.124024879614  7.992272137257  -0.003507728200  -0.207080217477  0.234444970367  -0.001746879610  0.003089750143  -0.004718970113
  9  Al  0.025732042427  6.064214770246  2.019907496972  -0.050434310164  -0.009623148917  0.101593654051  0.001193774636  -0.000550039044  0.000067597549
  10  Al  2.072392261309  3.968920116407  2.017083517615  -0.168484983065  0.419573226124  0.245442769054  0.001964231066  -0.002730513320  0.000213346553
  11  Al  2.040975524747  6.102767485452  0.096762226186  -0.132174652694  -0.022240979706  0.019755704492  0.000393133297  0.001355824422  0.004994290884
  12  Al  8.060291934258  4.080252111860  3.984271352580  0.290097667130  -0.071777865533  0.223837618605  -0.001204567283  0.001419272458  -0.002584881695
  13  Al  0.006797919700  6.045967617426  6.002084740864  -0.057065981217  0.023615259543  0.182967697422  0.000231603971  -0.001347368003  -0.003154348790
  14  Al  2.007358448046  4.013104086297  6.104387972165  -0.099688941432  -0.127924754974  -0.194228258319  -0.001192813827  -0.002251229833  0.000971654411
  15  Al  2.097739402559  6.084554945025  3.965306249589  -0.319831370809  -0.129346942805  0.112872365938  0.002722804044  0.000149108148  -0.004068145790
  16  Al  4.144214577497  0.100926087155  0.001655703832  -0.034294672902  -0.129003794315  0.207385978955  0.004509923648  0.004736173347  0.000669812055
  17  Al  3.944908860600  1.939874698646  2.010803854703  0.327171294411  0.157312717911  0.008977834090  -0.004261463429  -0.003769286933  -0.000727375208
  18  Al  6.142949518653  8.013986342093  1.926975465570  -0.287197313825  0.102006849092  0.204729973493  0.002512902089  -0.004126654268  -0.004342843803
  19  Al  6.101196647975  2.116575605974  7.978156264048  -0.201951043715  -0.365252227738  0.227119334876  0.000670499582  0.003621023148  -0.005635254387
  20  Al  4.076107020596  0.100063026637  4.058585115017  -0.156132418138  -0.326195987846  -0.031840136889  0.000898935650  0.004055591784  0.000281982381
  21  Al  4.073156048929  1.997443231977  6.100245163036  0.027756845340  0.148859853671  0.131437261753  0.001237782962  -0.000993078011  0.001652830684
  22  Al  6.076741596587  0.015205097720  6.089154472548  -0.004188008243  0.224459925322  0.096721150716  0.000131330360  0.001456894865  0.000959819928
  23  Al  6.148339018539  2.040244906137  4.029473923272  -0.196253383294  -0.009111060574  0.244058039949  0.003046157238  0.000711142093  -0.000236215709
  24  Al  4.072222305934  4.037010317889  0.102627019856  0.105715487831  -0.076006344428  -0.388063097855  0.001395096649  -0.000879852890  0.004125453624
  25  Al  4.016024546908  6.169327680430  2.113554370081  0.159723383115  -0.145252596605  -0.244444711048  -0.001349211153  0.004203655243  0.003774806838
  26  Al  6.023920311479  4.124918813530  1.960277656551  0.099712936293  -0.050075089256  0.202660951230  -0.002371772655  0.003695536797  -0.002734470707
  27  Al  6.036542358796  6.115545145626  0.085190587809  0.016228733553  -0.165091678203  -0.321927177036  -0.001799652010  0.001568838195  0.003553640062
  28  Al  4.069727254831  4.091071698269  4.117551284669  -0.057623437188  0.000190355046  -0.229505499962  0.000826930570  0.001995800740  0.002615867913
  29  Al  3.973471091736  6.101484104797  6.198828096385  0.357645369788  -0.061627173593  -0.213255598240  -0.002752955731  0.001125189730  0.005431171402
  30  Al  6.098185386570  3.962860118944  6.093733924430  -0.043622578540  0.247280438276  -0.091138770723  0.001061659941  -0.003834122506  0.000837560482
  31  Al  6.153741709944  6.040621745687  4.037012855626  -0.182916513403  0.128200304345  -0.150745534349  0.003406681482  -0.001381824892  -0.001123194722


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)
  -77.225140484373  -0.222394346648  0.208841588023
  -0.222394346648  -77.834098113896  -1.412774881822
  0.208841588023  -1.412774881822  -71.848735640943
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.013912318393  8.073728226267  8.053157579358  0.263180924821  0.029455013721  -0.126018073466  -0.003437144931  -0.001179078846  -0.002634491701
  1  Al  8.062382875406  1.965944685793  1.941599132391  0.206113206241  0.158398386646  0.024966526666  -0.001223703058  -0.002424400920  -0.003936437583
  2  Al  1.974891663925  8.015170227826  1.983172562431  0.062978368687  0.199403289605  0.180071291281  -0.002163278490  -0.003764561397  -0.001524604610
  3  Al  1.969709259533  1.997797691086  8.077516979815  0.001102289302  -0.036141093408  -0.175320978212  -0.002577883426  -0.001387674682  -0.001704633476
  4  Al  0.019290226919  8.034765229572  4.174862868857  0.163530070313  0.088872254797  -0.419974882930  0.001376734941  -0.002964444364  0.004950389869
  5  Al  0.011399392557  2.022110854445  6.122500390811  -0.007501764073  -0.072246123524  -0.164886276627  0.000501106141  -0.000317558491  0.001883273687
  6  Al  1.998762570813  8.093452087828  6.057472012123  -0.024877280576  0.206399836429  0.105653522098  -0.001428105840  0.000372186257  -0.000599480329
  7  Al  2.017611389680  2.040362510880  4.103319183680  -0.043174831548  -0.110928367834  -0.012083239387  -0.000461655128  0.000426815155  0.002637577195
  8  Al  8.063636187241  4.125560498274  7.989923131806  -0.004847934396  -0.211051217534  0.242843741171  -0.001747626600  0.003052369494  -0.004676300846
  9  Al  0.026326675350  6.063939320573  2.019945836946  -0.055613778245  -0.010611045131  0.098994879627  0.001184294013  -0.000551847966  0.000085530019
  10  Al  2.073366845624  3.967573614519  2.017201162095  -0.173757923253  0.419972819812  0.249515194495  0.001933634797  -0.002655458508  0.000257595439
  11  Al  2.041166183236  6.103444403499  0.099260254700  -0.131131557734  -0.025832446272  0.009199219473  0.000369593911  0.001351526693  0.004996879433
  12  Al  8.059702617878  4.080958539644  3.982988917193  0.294043550417  -0.078318810507  0.224764026577  -0.001152345479  0.001405853923  -0.002544777031
  13  Al  0.006911170857  6.045294989018  6.000515745059  -0.060722843649  0.022694632210  0.191606957627  0.000221073735  -0.001343227932  -0.003120862085
  14  Al  2.006757585072  4.011972753190  6.104865117437  -0.096523132327  -0.122621227018  -0.197893302417  -0.001210355045  -0.002273628464  0.000936599025
  15  Al  2.099086508234  6.084623717337  3.963277222048  -0.323725773992  -0.133460814335  0.125116232697  0.002665270498  0.000125613323  -0.004046869780
  16  Al  4.146468006361  0.103288407405  0.001999879938  -0.034273358826  -0.138736410389  0.208515345834  0.004503793715  0.004712237565  0.000706993334
  17  Al  3.942792753324  1.937997087001  2.010440568405  0.333420132363  0.162158868959  0.010856625410  -0.004202407031  -0.003740726403  -0.000725602022
  18  Al  6.144193132082  8.011927574629  1.924813195025  -0.289913370645  0.113316743034  0.210466522647  0.002461308809  -0.004107404494  -0.004305725535
  19  Al  6.101522870627  2.118369790905  7.975348789008  -0.202276450183  -0.374571984478  0.245588715926  0.000634361935  0.003554883396  -0.005592994627
  20  Al  4.076549509358  0.102076241686  4.058724682964  -0.158686204430  -0.332686579696  -0.029794191395  0.000870791091  0.003996688157  0.000276472316
  21  Al  4.073776181131  1.996953346953  6.101077453576  0.027549453023  0.153576263812  0.130551045596  0.001242727305  -0.000966040440  0.001676252250
  22  Al  6.076807074564  0.015943578430  6.089638705913  -0.008465001691  0.220434562372  0.099025403288  0.000130199190  0.001496668112  0.000977319529
  23  Al  6.149853324702  2.040600069923  4.029366724724  -0.199707391193  -0.007708711498  0.240532913283  0.003010758630  0.000709638418  -0.000192893626
  24  Al  4.072924579703  4.036566993988  0.104672400387  0.106944952134  -0.073457275719  -0.399485676644  0.001414108339  -0.000893214830  0.004055047331
  25  Al  4.015357080910  6.171423015313  2.115430846910  0.168630540522  -0.148123379431  -0.253900532817  -0.001319856548  0.004177427642  0.003730255132
  26  Al  6.022738882284  4.126764343590  1.958919480070  0.106558381596  -0.059073578636  0.208775241847  -0.002353332148  0.003685778985  -0.002697688607
  27  Al  6.035643258210  6.116322185185  0.086953017811  0.013998969020  -0.169879538115  -0.338236950719  -0.001796949675  0.001538892009  0.003494621864
  28  Al  4.070138144369  4.092069607148  4.118848959812  -0.058030537527  0.000424120143  -0.230380234362  0.000816591188  0.001995855674  0.002574754459
  29  Al  3.972110600491  6.102043944950  6.201534149637  0.362955639630  -0.063389689247  -0.213365362320  -0.002688534519  0.001114013313  0.005393031795
  30  Al  6.098714266626  3.960954111037  6.094148630801  -0.047939113912  0.263228633114  -0.097561502412  0.001053474392  -0.003788483362  0.000820690813
  31  Al  6.155436874383  6.039936563748  4.036444519994  -0.189838229873  0.130502868118  -0.148142201835  0.003373357477  -0.001358697015  -0.001149915071


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)
  -76.926665290852  -0.224326515936  0.229561707576
  -0.224326515936  -77.575397388950  -1.451192236886
  0.229561707576  -1.451192236886  -71.403209817139
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.012205510020  8.073140003472  8.051834700545  0.270096023967  0.030097660217  -0.124694230084  -0.003389470356  -0.001173754880  -0.002656905201
  1  Al  8.061780237063  1.964739565685  1.939632029594  0.209729883426  0.161394706819  0.028507836079  -0.001186526985  -0.002395811647  -0.003931657013
  2  Al  1.973812839790  8.013296860383  1.982418309248  0.060000500465  0.214587769545  0.184964819270  -0.002152284268  -0.003727550895  -0.001491970645
  3  Al  1.968420367092  1.997102238251  8.076656826292  -0.001820212590  -0.037633433202  -0.170282331307  -0.002577947608  -0.001394270072  -0.001735530163
  4  Al  0.019985904124  8.033286979947  4.177319291066  0.165975327234  0.095829969273  -0.432345433543  0.001406192486  -0.002947932118  0.004874193047
  5  Al  0.011649610302  2.021948845824  6.123434657297  -0.005671211249  -0.074237602054  -0.171715260007  0.000499928487  -0.000330654030  0.001853181752
  6  Al  1.998047405888  8.093647406955  6.057176994632  -0.021152988890  0.203080368176  0.108049688424  -0.001432220913  0.000408793492  -0.000580375416
  7  Al  2.017378632216  2.040570960000  4.104637432161  -0.045771465710  -0.113164365187  -0.018906564372  -0.000469606863  0.000406781426  0.002634806729
  8  Al  8.062762157240  4.127077249107  7.987595836411  -0.003125161086  -0.215516270808  0.250517436300  -0.001748339389  0.003014234667  -0.004632194712
  9  Al  0.026916336441  6.063662922280  2.019993026991  -0.058168975412  -0.010040065034  0.098649278613  0.001174121917  -0.000553694161  0.000103199265
  10  Al  2.074325896106  3.966264657899  2.017341113054  -0.181772567561  0.419236377442  0.255653836567  0.001901850627  -0.002580433810  0.000302757187
  11  Al  2.041345118658  6.104119012145  0.101759105619  -0.132156590806  -0.028279564735  -0.002378391270  0.000346056140  0.001346689118  0.004997489210
  12  Al  8.059139588780  4.081657965782  3.981726575549  0.300867729757  -0.086069547052  0.226350291170  -0.001099160838  0.001391157722  -0.002504447736
  13  Al  0.007018993435  6.044624389494  5.998963878778  -0.061760208591  0.023492952608  0.198055735442  0.000210123838  -0.001339098795  -0.003086026521
  14  Al  2.006148093000  4.010830457834  6.105324571191  -0.095619181377  -0.117856343263  -0.203797219934  -0.001227532430  -0.002295126985  0.000900688182
  15  Al  2.100404673057  6.084680558348  3.961259379809  -0.330147934256  -0.136064903431  0.138708064166  0.002606814660  0.000101517918  -0.004023284078
  16  Al  4.148718371211  0.105638324720  0.002362697166  -0.036703756959  -0.148200514366  0.208473884332  0.004497448412  0.004686585610  0.000744271872
  17  Al  3.940706453568  1.936133972242  2.010078252681  0.336807221998  0.165460107019  0.015064124326  -0.004142489188  -0.003711437503  -0.000723284725
  18  Al  6.145410827463  8.009878937600  1.922669740036  -0.289634822139  0.126215192221  0.218885179896  0.002409497618  -0.004085990511  -0.004267341801
  19  Al  6.101831009909  2.120130489370  7.972563269421  -0.199989853449  -0.385702587248  0.263678926170  0.000598399617  0.003486915396  -0.005547466466
  20  Al  4.076977811687  0.104059714794  4.058861587333  -0.163487077713  -0.338565901902  -0.026609826898  0.000841989032  0.003936678668  0.000271429837
  21  Al  4.074398776234  1.996477191537  6.101921415285  0.024392001032  0.156478844883  0.127212311317  0.001247370834  -0.000938321736  0.001699296109
  22  Al  6.076871795776  0.016701765831  6.090131792077  -0.010501421328  0.216489589208  0.098606309830  0.000128503605  0.001535728816  0.000994987662
  23  Al  6.151349777169  2.040954544555  4.029281029646  -0.199947240607  -0.008343913489  0.237171799284  0.002975029794  0.000708203325  -0.000150187169
  24  Al  4.073636414273  4.036117103060  0.106682067186  0.105081594523  -0.071293632927  -0.411572971995  0.001433063360  -0.000906155457  0.003982539271
  25  Al  4.014704690360  6.173505108072  2.117284625214  0.174667032159  -0.149258459478  -0.261301116955  -0.001289165992  0.004150841919  0.003684196476
  26  Al  6.021566979331  4.128604592515  1.957579967944  0.115975390353  -0.069443059789  0.217207224225  -0.002333437789  0.003674289690  -0.002659606081
  27  Al  6.034745409121  6.117084037635  0.088685209673  0.013918715259  -0.172882395744  -0.355666109966  -0.001794453854  0.001508249339  0.003432587430
  28  Al  4.070543846019  4.093067553943  4.120126039128  -0.061264456776  -0.000138732319  -0.230337992915  0.000805926301  0.001995881187  0.002533566581
  29  Al  3.970782557218  6.102598118110  6.204221128180  0.365273240939  -0.063341868786  -0.215580270880  -0.002623431381  0.001102683603  0.005354684364
  30  Al  6.099238860961  3.959071635581  6.094554615243  -0.049972070657  0.278629626741  -0.106407447899  0.001044721202  -0.003740041624  0.000802456136
  31  Al  6.157115067421  6.039263048672  4.035862940555  -0.194117463956  0.135039996662  -0.144161577387  0.003339032114  -0.001334957674  -0.001176046818


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)
  -76.619246700635  -0.224566860432  0.252289897538
  -0.224566860432  -77.312646700292  -1.486689858409
  0.252289897538  -1.486689858409  -70.959817731204
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.010522848038  8.072554471387  8.050500674158  0.273123271939  0.029959037662  -0.123137251915  -0.003340906942  -0.001168385854  -0.002679061157
  1  Al  8.061196348421  1.963548874146  1.937667475378  0.209717946162  0.166274897077  0.028986504094  -0.001149028651  -0.002366518220  -0.003926517061
  2  Al  1.972739379657  8.011442676932  1.981680591786  0.061125005006  0.229421417107  0.187500869564  -0.002141455735  -0.003687856793  -0.001458672480
  3  Al  1.967131311926  1.996403421014  8.075781449652  -0.000731346750  -0.037516462013  -0.164542915783  -0.002578175715  -0.001400988419  -0.001765463299
  4  Al  0.020696419405  8.031817297453  4.179737061904  0.165276146404  0.101824638617  -0.444007876266  0.001435806129  -0.002930261939  0.004795847691
  5  Al  0.011899321044  2.021780200415  6.124353572563  -0.007896045745  -0.074473571448  -0.175797920588  0.000498715584  -0.000343948702  0.001822114323
  6  Al  1.997330349901  8.093860881321  6.056891636707  -0.012966250710  0.198201547690  0.112640013854  -0.001435271148  0.000444667807  -0.000560645915
  7  Al  2.017141782816  2.040769292307  4.105953990409  -0.043419209179  -0.113967803541  -0.026072120176  -0.000477580445  0.000386475974  0.002630785667
  8  Al  8.061887847852  4.128574732941  7.985290937095  -0.005413770119  -0.219484139990  0.258173043603  -0.001749102764  0.002975345943  -0.004586718149
  9  Al  0.027500797267  6.063385626413  2.020049036210  -0.064392229797  -0.011131373588  0.095610055615  0.001163165034  -0.000555586872  0.000120565909
  10  Al  2.075268696251  3.964993180709  2.017503919281  -0.185346481312  0.418406109416  0.259328229862  0.001869030448  -0.002505549174  0.000348796213
  11  Al  2.041512239376  6.104791092617  0.104257743910  -0.128909776879  -0.032247491850  -0.015171664220  0.000322716995  0.001341278043  0.004995920248
  12  Al  8.058603457040  4.082349697366  3.980484469457  0.303333392851  -0.092990645792  0.227758660790  -0.001045145693  0.001375149870  -0.002463850722
  13  Al  0.007121294695  6.043955890223  5.997429718538  -0.066242100973  0.022540994330  0.207132265376  0.000198680524  -0.001334983393  -0.003049803005
  14  Al  2.005530052642  4.009677626205  6.105765805619  -0.090087788686  -0.111537132302  -0.207116045772  -0.001244134499  -0.002315634597  0.000863952832
  15  Al  2.101693322893  6.084725235255  3.959253937970  -0.331877338400  -0.140039459013  0.152815397074  0.002547630077  0.000076834387  -0.003997222090
  16  Al  4.150965454773  0.107974993015  0.002744151809  -0.035737190951  -0.158441963270  0.207968806812  0.004490972243  0.004659171994  0.000781501548
  17  Al  3.938650264136  1.934285649498  2.009717283679  0.343743874146  0.170295154076  0.017176812789  -0.004081648410  -0.003681421224  -0.000720402409
  18  Al  6.146602629700  8.007841584118  1.920545853224  -0.293713448447  0.138540001360  0.224403270355  0.002357346702  -0.004062321587  -0.004227712133
  19  Al  6.102121270243  2.121856706301  7.969801322541  -0.201576796520  -0.395020105638  0.282308275881  0.000562499847  0.003417119350  -0.005498655604
  20  Al  4.077391498389  0.106012920354  4.058996112802  -0.165091683818  -0.344630805534  -0.023097750190  0.000812614327  0.003875601374  0.000266986016
  21  Al  4.075023551965  1.996015025217  6.102776749684  0.024961786047  0.161033267407  0.125698167361  0.001251783027  -0.000909936382  0.001721906123
  22  Al  6.076935578169  0.017479307246  6.090633693575  -0.016972450623  0.211609376486  0.100799421728  0.000126047461  0.001574000556  0.001012814391
  23  Al  6.152828354496  2.041308273247  4.029216537555  -0.205003286128  -0.006817575167  0.233869556439  0.002938827508  0.000706847898  -0.000108076410
  24  Al  4.074357643062  4.035660838532  0.108654939658  0.106812308676  -0.068245158842  -0.424172803313  0.001452006522  -0.000918630124  0.003907824200
  25  Al  4.014067914918  6.175573857233  2.119115043385  0.184915164423  -0.151924614481  -0.270796898836  -0.001257019603  0.004123916369  0.003636627296
  26  Al  6.020405444495  4.130438633280  1.956259873989  0.121570852500  -0.079281901365  0.223408474036  -0.002312201326  0.003660993785  -0.002620215355
  27  Al  6.033848804356  6.117830434524  0.090385605241  0.009699670738  -0.177639345408  -0.373814708282  -0.001792342387  0.001476912948  0.003367372370
  28  Al  4.070944070670  4.094065488336  4.121382526394  -0.060610050041  -0.000108902887  -0.229773043770  0.000795030808  0.001995859049  0.002492432986
  29  Al  3.969487169109  6.103146628553  6.206888834001  0.371082773789  -0.065095155662  -0.215244514683  -0.002557601683  0.001091201425  0.005316168938
  30  Al  6.099758987829  3.957214069413  6.094951086937  -0.056328060844  0.295383951534  -0.113046750212  0.001035218047  -0.003688725223  0.000782837089
  31  Al  6.158775906497  6.038601606074  4.035268473176  -0.203046886759  0.137103215028  -0.139785561226  0.003303525907  -0.001310628267  -0.001201431488


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)
  -76.307374872441  -0.225330442160  0.275712828073
  -0.225330442160  -77.044795046375  -1.520530256785
  0.275712828073  -1.520530256785  -70.513401041424
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.008864603079  8.071971617618  8.049155639389  0.280666339588  0.030302037181  -0.121128329709  -0.003291398549  -0.001162998558  -0.002700898324
  1  Al  8.060631208412  1.962373047464  1.935705512534  0.213854036818  0.168945286529  0.032958913570  -0.001111161620  -0.002336549777  -0.003920979185
  2  Al  1.971671384055  8.009609003590  1.980959636768  0.057495261627  0.245419374709  0.192812446788  -0.002130851168  -0.003645406368  -0.001424672743
  3  Al  1.965842191377  1.995701249832  8.074891362993  -0.004211104342  -0.039424691981  -0.158139938785  -0.002578617567  -0.001407866902  -0.001794310914
  4  Al  0.021421710254  8.030356718009  4.182115138757  0.168145089103  0.108927322670  -0.456542915818  0.001465613748  -0.002911420865  0.004715339099
  5  Al  0.012148325885  2.021604897122  6.125256771621  -0.005571844635  -0.076630267283  -0.183095138166  0.000497511564  -0.000357457277  0.001790029542
  6  Al  1.996612134740  8.094092074762  6.056616348717  -0.009081628024  0.193648944090  0.114518041749  -0.001437242213  0.000479698959  -0.000540338149
  7  Al  2.016901051771  2.040957435974  4.107268217828  -0.046102549245  -0.116547167038  -0.033890455233  -0.000485583626  0.000365868101  0.002625425056
  8  Al  8.061013054477  4.130052595051  7.983009118262  -0.003040604068  -0.223734970257  0.266097837405  -0.001749858578  0.002935722474  -0.004539848709
  9  Al  0.028079501474  6.063107335408  2.020113592900  -0.066543324354  -0.010205798070  0.095312113614  0.001151459489  -0.000557494400  0.000137634214
  10  Al  2.076194926553  3.963759108724  2.017689909266  -0.193903078525  0.416480071944  0.265729272022  0.001835125810  -0.002430910950  0.000395735976
  11  Al  2.041667835653  6.105460290187  0.106755025866  -0.130085278206  -0.034420666064  -0.027754978254  0.000299563023  0.001335317957  0.004992082637
  12  Al  8.058094443087  4.083033115652  3.979262724827  0.310294088423  -0.100877851821  0.228762093511  -0.000990287837  0.001357818165  -0.002423038095
  13  Al  0.007217673958  6.043289406101  5.995914075773  -0.066533536017  0.023710469326  0.213371306179  0.000186810477  -0.001330848546  -0.003012210289
  14  Al  2.004903958501  4.008514823237  6.106188524022  -0.089147367555  -0.105657139924  -0.213435757333  -0.001260157993  -0.002335051609  0.000826355803
  15  Al  2.102952303134  6.084757392735  3.957262157718  -0.338405472562  -0.142177067258  0.167201368920  0.002487707276  0.000051604433  -0.003968612822
  16  Al  4.153209343455  0.110297496714  0.003144198714  -0.038918467475  -0.168653133427  0.207425932548  0.004484298081  0.004629929927  0.000818637539
  17  Al  3.936624805158  1.932452551018  2.009357850272  0.345839120288  0.173180376572  0.022349222760  -0.004020000186  -0.003650714759  -0.000716868810
  18  Al  6.147768174165  8.005816616012  1.918442027903  -0.292246263958  0.152211058754  0.233282493471  0.002304962326  -0.004036328652  -0.004186795355
  19  Al  6.102393509757  2.123547608719  7.967064613818  -0.198219736511  -0.406371406610  0.301465938955  0.000526758325  0.003345475525  -0.005446466609
  20  Al  4.077790426014  0.107935316167  4.059128573349  -0.170632547333  -0.350178318399  -0.019611316215  0.000782600822  0.003813485938  0.000263167856
  21  Al  4.075650559261  1.995567255155  6.103643321409  0.020948196519  0.163472103439  0.121044915354  0.001255887346  -0.000880925835  0.001743964777
  22  Al  6.076997843237  0.018275766387  6.091144606468  -0.018930749045  0.206509039910  0.099771615078  0.000122837740  0.001611380041  0.001030745297
  23  Al  6.154288604677  2.041661392454  4.029172953235  -0.204659265794  -0.007515492484  0.229519159188  0.002902203971  0.000705566532  -0.000066649793
  24  Al  4.075088420795  4.035198472935  0.110589891387  0.103984362961  -0.065387407341  -0.436106196890  0.001470851593  -0.000930576780  0.003830915877
  25  Al  4.013447670758  6.177629024442  2.120921252509  0.190522956033  -0.152570892156  -0.277688644122  -0.001223455705  0.004096694690  0.003587593083
  26  Al  6.019254778005  4.132265586300  1.954959752590  0.131863430999  -0.090095988806  0.232584857518  -0.002289544483  0.003645851524  -0.002579449879
  27  Al  6.032953066734  6.118560950583  0.092052582043  0.009938524562  -0.180294789379  -0.391862243711  -0.001790586747  0.001444913894  0.003298921401
  28  Al  4.071338876827  4.095063412992  4.122618472114  -0.064369896959  -0.000720584389  -0.229445928907  0.000783857690  0.001995784893  0.002451379140
  29  Al  3.968224955534  6.103689319535  6.209537297118  0.372147069100  -0.064637739698  -0.217578778835  -0.002491157470  0.001079603398  0.005277474847
  30  Al  6.100274079008  3.955382910358  6.095337452332  -0.058166084818  0.311706957751  -0.122747295120  0.001024982353  -0.003634451733  0.000761757271
  31  Al  6.160418593327  6.037952420405  4.034661509067  -0.206929676595  0.141588329509  -0.135179611532  0.003266874297  -0.001285713443  -0.001226013177


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)
  -75.985809203611  -0.224569828445  0.302391721919
  -0.224569828445  -76.772148437833  -1.552293636385
  0.302391721919  -1.552293636385  -70.070640390864
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.007231449489  8.071391472829  8.047799775834  0.283918790791  0.030203009031  -0.119171746476  -0.003240925045  -0.001157589450  -0.002722380978
  1  Al  8.060085186801  1.961212324369  1.933746496193  0.213713177400  0.174020159227  0.033662732506  -0.001072937419  -0.002305888913  -0.003915023258
  2  Al  1.970608528489  8.007797270564  1.980255919043  0.057541153120  0.261147603851  0.195050685565  -0.002120566996  -0.003600119644  -0.001389998058
  3  Al  1.964552694359  1.994995554111  8.073987138738  -0.003745364925  -0.038851994721  -0.151740146797  -0.002579328870  -0.001414864782  -0.001822013971
  4  Al  0.022162033153  8.028905876588  4.184452401002  0.167131160008  0.115606629868  -0.468268290667  0.001495587203  -0.002891347691  0.004632661642
  5  Al  0.012396832608  2.021422743138  6.126143602105  -0.007478079936  -0.076221513130  -0.187220801470  0.000496344910  -0.000371122116  0.001756923564
  6  Al  1.995893107688  8.094340580279  6.056351298558  -0.000953709170  0.188018394547  0.119483973201  -0.001438139365  0.000513819744  -0.000519418537
  7  Al  2.016656199190  2.041135160408  4.108579415465  -0.044516067645  -0.116616386209  -0.041445258539  -0.000493684865  0.000345023448  0.002618690097
  8  Al  8.060137989273  4.131510455415  7.980751088385  -0.004842541757  -0.227753039051  0.273731682326  -0.001750563326  0.002895359771  -0.004491588339
  9  Al  0.028652256756  6.062828132013  2.020186670424  -0.072632357618  -0.011635668701  0.091720642503  0.001139017283  -0.000559447011  0.000154354808
  10  Al  2.077103822061  3.962562269758  2.017899655257  -0.198149612560  0.414507121029  0.268959364292  0.001800076582  -0.002356621293  0.000443536755
  11  Al  2.041811802400  6.106126410574  0.109249826547  -0.127089172335  -0.039065813808  -0.041857521996  0.000276571812  0.001328748319  0.004985859329
  12  Al  8.057613169202  4.083707515531  3.978061431362  0.312949499585  -0.108413695297  0.229979969078  -0.000934570309  0.001339107652  -0.002382026885
  13  Al  0.007308105172  6.042625041677  5.994417508249  -0.070563110996  0.022232282219  0.222876908886  0.000174554136  -0.001326741297  -0.002973210012
  14  Al  2.004269894649  4.007342574596  6.106592161422  -0.083868697607  -0.098673510244  -0.216632371508  -0.001275625505  -0.002353318622  0.000787908022
  15  Al  2.104181030169  6.084776839687  3.955285325148  -0.340446732193  -0.146793965234  0.182358411804  0.002427018377  0.000025770630  -0.003937362429
  16  Al  4.155449752854  0.112604922943  0.003562789349  -0.038548586949  -0.179303805979  0.206068933329  0.004477372582  0.004598822827  0.000855603683
  17  Al  3.934630263949  1.930634934739  2.009000414870  0.352062106799  0.178612572660  0.024597303683  -0.003957608319  -0.003619264722  -0.000712671824
  18  Al  6.148907592025  8.003805255466  1.916359057869  -0.294729248245  0.165686126977  0.238984612185  0.002252487138  -0.004007908872  -0.004144575016
  19  Al  6.102648028568  2.125202181826  7.964354855932  -0.198427382501  -0.415177774197  0.320959819430  0.000491298358  0.003272029620  -0.005390822194
  20  Al  4.078174099212  0.109826406292  4.059259280658  -0.172253107819  -0.355806846504  -0.015388608950  0.000751947092  0.003750371373  0.000260038888
  21  Al  4.076279439311  1.995134099382  6.104520714462  0.020731514984  0.168377927560  0.119130848954  0.001259613482  -0.000851258681  0.001765436318
  22  Al  6.077058415909  0.019090687287  6.091664438872  -0.025080710515  0.200700345488  0.101765495941  0.000118903148  0.001647784267  0.001048762570
  23  Al  6.155730558467  2.042013839780  4.029149887763  -0.208502748452  -0.005670622331  0.225343107135  0.002865267584  0.000704387703  -0.000025985434
  24  Al  4.075828494656  4.034730261752  0.112485855535  0.104836201588  -0.061938749135  -0.448812748963  0.001489520001  -0.000941959646  0.003751804760
  25  Al  4.012844459213  6.179670551923  2.122702636469  0.200565659252  -0.155585250211  -0.287513272359  -0.001188492664  0.004069145753  0.003537064439
  26  Al  6.018115900012  4.134084484804  1.953680424110  0.138481501809  -0.100964502354  0.238636639910  -0.002265375841  0.003628770854  -0.002537323016
  27  Al  6.032058217609  6.119275348417  0.093684526643  0.006273750353  -0.185417502696  -0.410954990003  -0.001789137381  0.001412219478  0.003227150118
  28  Al  4.071727928361  4.096061273229  4.123833905534  -0.064245819308  -0.000993961506  -0.228142542125  0.000772359538  0.001995631614  0.002410471060
  29  Al  3.966996011639  6.104226231951  6.212166308849  0.377141014056  -0.066700027963  -0.216853308096  -0.002424171655  0.001067861896  0.005238636931
  30  Al  6.100783970181  3.953579617681  6.095712844207  -0.064028158140  0.329067186816  -0.129543470393  0.001014058275  -0.003577166985  0.000739202658
  31  Al  6.162042780794  6.037315892631  4.034042459999  -0.215244321072  0.143405269997  -0.129766052384  0.003229132245  -0.001260235220  -0.001249699128


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)
  -75.661003783979  -0.224474224123  0.329075304791
  -0.224474224123  -76.495490085313  -1.581880920400
  0.329075304791  -1.581880920400  -69.625479330958
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.005623678034  8.070814028168  8.046433258411  0.291338724713  0.029743898583  -0.115943684563  -0.003189497437  -0.001152230240  -0.002743400128
  1  Al  8.059558270993  1.960067158551  1.931790489276  0.217470726296  0.177081314521  0.037880352884  -0.001034389888  -0.002274500694  -0.003908627357
  2  Al  1.969550817060  8.006008883946  1.979569638709  0.052592949834  0.277025311190  0.200333176341  -0.002110721086  -0.003552007373  -0.001354651026
  3  Al  1.963262862508  1.994286385050  8.073069349023  -0.008278688497  -0.040272596377  -0.143821453598  -0.002580403811  -0.001421938463  -0.001848436965
  4  Al  0.022917297457  8.027465370317  4.186747800399  0.169531394074  0.122267403410  -0.481407800394  0.001525684593  -0.002870081924  0.004547761283
  5  Al  0.012644670796  2.021233775006  6.127013695184  -0.005280700049  -0.077727430167  -0.194685888354  0.000495204284  -0.000384885041  0.001722781380
  6  Al  1.995173995375  8.094605894506  6.056096930180  0.002321325102  0.181813172861  0.121367612158  -0.001438017101  0.000546882420  -0.000497886578
  7  Al  2.016407366905  2.041302459421  4.109886907926  -0.048253412892  -0.118495343621  -0.050533253518  -0.000501978390  0.000324004628  0.002610467285
  8  Al  8.059262491151  4.132947954821  7.978517529923  -0.002280581076  -0.231209694765  0.282428508482  -0.001751200128  0.002854328833  -0.004441868018
  9  Al  0.029218518758  6.062547888397  2.020267947708  -0.074988854875  -0.011137890409  0.091131837114  0.001125820053  -0.000561482951  0.000170701688
  10  Al  2.077995003135  3.961402487431  2.018133446021  -0.207767491659  0.412408335882  0.275104181341  0.001763787885  -0.002282695647  0.000492175644
  11  Al  2.041944407466  6.106789038506  0.111740885196  -0.128930396659  -0.041946396018  -0.054778811693  0.000253683847  0.001321505886  0.004977220111
  12  Al  8.057159872778  4.084372223304  3.976880697941  0.319551634929  -0.115887491909  0.229925579319  -0.000878025163  0.001319055287  -0.002340911660
  13  Al  0.007392228094  6.041962664804  5.992940865761  -0.070731103492  0.022944082602  0.229157226225  0.000161922534  -0.001322702562  -0.002932798486
  14  Al  2.003628332996  4.006161504615  6.106976432044  -0.083599054393  -0.091238645233  -0.222905042915  -0.001290597002  -0.002370296632  0.000748613693
  15  Al  2.105379321511  6.084783163365  3.953324795289  -0.347750006593  -0.149482306876  0.196779406872  0.002365494084  -0.000000716255  -0.003903467781
  16  Al  4.157686716037  0.114896319541  0.003999802397  -0.041790164071  -0.190740292515  0.205749912444  0.004470190356  0.004565741151  0.000892419991
  17  Al  3.932667196839  1.928833286296  2.008645178448  0.353754676287  0.181881713549  0.030109654193  -0.003894508807  -0.003587036792  -0.000707781061
  18  Al  6.150020661303  8.001808707140  1.914297452887  -0.291626727084  0.179419348272  0.248112587391  0.002200067335  -0.003977056691  -0.004101028877
  19  Al  6.102884808114  2.126819638339  7.961673791624  -0.193310269516  -0.425969075352  0.341770017186  0.000456277294  0.003196831697  -0.005331574623
  20  Al  4.078542373106  0.111685687540  4.059388612236  -0.177487506791  -0.361770507237  -0.012321986790  0.000720680532  0.003686220473  0.000257561581
  21  Al  4.076910172744  1.994715996474  6.105408757727  0.016398837053  0.171185366310  0.113802122100  0.001262932909  -0.000820901967  0.001786260358
  22  Al  6.077116746384  0.019923550654  6.092193369038  -0.026160561640  0.193964570778  0.100398786339  0.000114322215  0.001683067027  0.001066835911
  23  Al  6.157153872261  2.042365780157  4.029146967802  -0.206733813958  -0.005849881061  0.219449157341  0.002828145734  0.000703357779  0.000013778675
  24  Al  4.076577940797  4.034256513289  0.114341696146  0.101509079451  -0.057788035791  -0.459980284248  0.001507967121  -0.000952663135  0.003670559317
  25  Al  4.012259178094  6.181698170195  2.124458316948  0.206342591455  -0.156533812142  -0.294451154801  -0.001152115359  0.004041242533  0.003485037238
  26  Al  6.016989402165  4.135894357154  1.952422429573  0.150185418174  -0.111748884807  0.248050129612  -0.002239569226  0.003609754430  -0.002493813569
  27  Al  6.031163929353  6.119973170061  0.095279732162  0.007477618077  -0.188402711956  -0.428856535728  -0.001787908019  0.001378800220  0.003152071572
  28  Al  4.072111236365  4.097059044606  4.125028943175  -0.068029167898  -0.000972389480  -0.228090889199  0.000760534249  0.001995455824  0.002369684120
  29  Al  3.965800783879  6.104757181431  6.214775934049  0.377542980781  -0.066727030844  -0.218860738084  -0.002356703449  0.001055933613  0.005199684409
  30  Al  6.101288137283  3.951805743373  6.096076654990  -0.064897452104  0.346766820446  -0.139688744243  0.001002532419  -0.003516747911  0.000715133492
  31  Al  6.163647725573  6.036692185185  4.033411809939  -0.218122002978  0.147399078156  -0.125223979214  0.003190389608  -0.001234237521  -0.001272495054


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)
  -75.327996653121  -0.222535582406  0.358538621127
  -0.222535582406  -76.215007445644  -1.608454600411
  0.358538621127  -1.608454600411  -69.184617534561
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.004041952052  8.070239242590  8.045056375706  0.295389659802  0.030291903474  -0.112864623389  -0.003137044341  -0.001146863082  -0.002763855426
  1  Al  8.059050796913  1.958937823675  1.929837868835  0.217948849389  0.180957440039  0.039286242106  -0.000995463692  -0.002242492287  -0.003901728719
  2  Al  1.968497807402  8.004245263191  1.978901268017  0.051515347974  0.294176700653  0.203216905400  -0.002101413879  -0.003500942324  -0.001318573939
  3  Al  1.961972290548  1.993573615648  8.072138701773  -0.008659159034  -0.040980108081  -0.135906117842  -0.002581918043  -0.001429202397  -0.001873444409
  4  Al  0.023687717746  8.026035794664  4.189000162285  0.169255247486  0.129990747317  -0.493725392287  0.001555971875  -0.002847530227  0.004460585078
  5  Al  0.012892036893  2.021037858097  6.127866383485  -0.006412976312  -0.078415047615  -0.199348710144  0.000494158878  -0.000398844066  0.001687554971
  6  Al  1.994455090587  8.094887462700  6.055853411980  0.009764333258  0.176418905844  0.125669131540  -0.001436936652  0.000578908110  -0.000475801671
  7  Al  2.016154220800  2.041459165036  4.111189882750  -0.047411104700  -0.119823090207  -0.059361817057  -0.000510530729  0.000302699132  0.002600642744
  8  Al  8.058386789145  4.134364784248  7.976309220367  -0.003278235877  -0.235805997532  0.290761353161  -0.001751697082  0.002812577966  -0.004390625257
  9  Al  0.029778076809  6.062266649062  2.020357372112  -0.080266342580  -0.011338580027  0.087706347652  0.001111940350  -0.000563492331  0.000186689693
  10  Al  2.078867609945  3.960279574112  2.018391830901  -0.212894950107  0.408691020519  0.278662508850  0.001726180965  -0.002209289955  0.000541681988
  11  Al  2.042065486247  6.107447916460  0.114227046658  -0.126887821618  -0.045516326043  -0.068797116530  0.000230813883  0.001313686781  0.004966172512
  12  Al  8.056735144039  4.085026570818  3.975720519702  0.322662350440  -0.124361217689  0.230129572404  -0.000820611695  0.001297577225  -0.002299783061
  13  Al  0.007470027706  6.041302339115  5.991484709764  -0.073811100292  0.022698496695  0.238236550987  0.000149000565  -0.001318622149  -0.002891013818
  14  Al  2.002979297648  4.004972277965  6.107340775115  -0.079162765507  -0.084532200666  -0.226585862932  -0.001305147791  -0.002386010419  0.000708429530
  15  Al  2.106546524253  6.084776123432  3.951381857367  -0.350646043649  -0.152719598685  0.211629918763  0.002303057980  -0.000027732888  -0.003866956281
  16  Al  4.159919943209  0.117170664094  0.004455209340  -0.042419114918  -0.200848271359  0.204638747074  0.004462662107  0.004530733416  0.000929108442
  17  Al  3.930735755143  1.927047897947  2.008292633808  0.358486907099  0.186197452575  0.033062188302  -0.003830834922  -0.003554130780  -0.000702133544
  18  Al  6.151107659361  7.999828198775  1.912258028992  -0.292416097193  0.194431211444  0.254345017457  0.002147854327  -0.003943634720  -0.004056109528
  19  Al  6.103104305862  2.128399013523  7.959023281309  -0.192126759840  -0.435746627485  0.362580184869  0.000421819501  0.003119794933  -0.005268606222
  20  Al  4.078894779744  0.113512626765  4.059516842238  -0.180137448744  -0.366178398818  -0.008573748620  0.000688709119  0.003621142365  0.000255693517
  21  Al  4.077542372220  1.994313197415  6.106306974820  0.015119139428  0.174760183005  0.110797675223  0.001265750594  -0.000789974684  0.001806339418
  22  Al  6.077172738124  0.020773754314  6.092731274783  -0.031351727325  0.188367005973  0.101700823205  0.000109180658  0.001717247195  0.001084903471
  23  Al  6.158558704201  2.042717197559  4.029163666437  -0.209326730901  -0.005022203647  0.214019125839  0.002790950221  0.000702385822  0.000052530427
  24  Al  4.077336461776  4.033777598617  0.116156414852  0.101310256302  -0.055062749881  -0.471598709108  0.001526099024  -0.000962751914  0.003587276825
  25  Al  4.011692343854  6.183711794456  2.126187673706  0.215401966357  -0.158173093269  -0.303698336956  -0.001114411699  0.004013107962  0.003431563103
  26  Al  6.015876330786  4.137694239234  1.951186610540  0.158043159188  -0.123905449799  0.254579516294  -0.002212013813  0.003588687102  -0.002448878841
  27  Al  6.030270309590  6.120654148637  0.096836598215  0.004979848689  -0.192381550953  -0.447572446067  -0.001786794330  0.001344758381  0.003073719452
  28  Al  4.072488462610  4.098056729053  4.126203589654  -0.068764218819  -0.002271805311  -0.227310080482  0.000748305019  0.001995165795  0.002328971601
  29  Al  3.964639308190  6.105282165563  6.217365993258  0.381087954203  -0.067488441788  -0.218471457780  -0.002288882389  0.001043934846  0.005160587226
  30  Al  6.101786502600  3.950062869769  6.096427977699  -0.069756151392  0.363486149058  -0.147178876275  0.000990494483  -0.003453251807  0.000689487733
  31  Al  6.165233170401  6.036081655110  4.032769964945  -0.225236270805  0.150103542260  -0.120028513657  0.003150753697  -0.001207641001  -0.001294420450


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)
  -74.992013342046  -0.221488437301  0.389179470415
  -0.221488437301  -75.930023552580  -1.633352132588
  0.389179470415  -1.633352132588  -68.742589073889
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.002486633693  8.069667165086  8.043669402985  0.301661517277  0.029831650753  -0.109362590356  -0.003083668396  -0.001141488080  -0.002783722379
  1  Al  8.058562807302  1.957824666264  1.927888760556  0.220577700265  0.184149228224  0.043216049881  -0.000956259734  -0.002209852014  -0.003894353074
  2  Al  1.967449403180  8.002507941621  1.978251064770  0.047554622139  0.310636132035  0.207893682815  -0.002092557095  -0.003446872492  -0.001281820948
  3  Al  1.960680944465  1.992857182654  8.071195904614  -0.011653182159  -0.042022205124  -0.127448444715  -0.002583733951  -0.001436622744  -0.001896988117
  4  Al  0.024473269332  8.024617840090  4.191208385477  0.170401505868  0.137189797063  -0.506542327699  0.001586336945  -0.002823644478  0.004371161863
  5  Al  0.013138829674  2.020834930940  6.128701250155  -0.005322402695  -0.079390797816  -0.206409059845  0.000493109744  -0.000412951795  0.001651280518
  6  Al  1.993737058723  8.095184802616  6.055621128509  0.014612016649  0.169807960532  0.128040638417  -0.001434757424  0.000609860543  -0.000453120201
  7  Al  2.015896836176  2.041605158553  4.112487550670  -0.049815676645  -0.121294050092  -0.068591417222  -0.000519222733  0.000281143433  0.002589203817
  8  Al  8.057510794068  4.135760532787  7.974126904666  -0.001484211313  -0.239272432280  0.299185882440  -0.001752122842  0.002770106296  -0.004337884399
  9  Al  0.030330459108  6.061984396066  2.020454637400  -0.083439194736  -0.011040373477  0.086186438203  0.001097305193  -0.000565492994  0.000202235583
  10  Al  2.079721184100  3.959193197476  2.018675128009  -0.221034777229  0.405587594969  0.283908879834  0.001687387960  -0.002136494033  0.000591975465
  11  Al  2.042175221348  6.108102725287  0.116707057707  -0.127472214187  -0.048909494006  -0.082561701920  0.000208074278  0.001305245181  0.004952641142
  12  Al  8.056339261083  4.085669800529  3.974580914881  0.328089268001  -0.132308359758  0.230031431966  -0.000762434968  0.001274631150  -0.002258644998
  13  Al  0.007541228659  6.040644042655  5.990049851942  -0.074703903863  0.023064219246  0.245323457330  0.000135723431  -0.001314530995  -0.002847783902
  14  Al  2.002323185205  4.003775494196  6.107684861574  -0.077543538549  -0.076829909080  -0.232231893366  -0.001319157222  -0.002400436075  0.000667411552
  15  Al  2.107682379491  6.084755430477  3.949457839008  -0.356471627665  -0.155670711195  0.226581357325  0.002239842169  -0.000055302760  -0.003827780508
  16  Al  4.162149378143  0.119427052957  0.004928910839  -0.045010957242  -0.212066456121  0.203602388088  0.004454845921  0.004493819136  0.000965604906
  17  Al  3.928836361918  1.925279155516  2.007943044904  0.360615722459  0.189980260376  0.038020148231  -0.003766547664  -0.003520500763  -0.000695778834
  18  Al  6.152168515630  7.997865072420  1.910241343359  -0.289868921448  0.209048405170  0.262897642310  0.002095798465  -0.003907563933  -0.004009868407
  19  Al  6.103306627615  2.129939433272  7.956405185401  -0.187904330903  -0.446244462194  0.383672202574  0.000387844994  0.003040945564  -0.005201891796
  20  Al  4.079231082224  0.115306829905  4.059644305753  -0.184490313433  -0.371539045930  -0.004897401723  0.000656111659  0.003555190957  0.000254489206
  21  Al  4.078175923337  1.993926021790  6.107215097145  0.011365760908  0.177649955720  0.105739460281  0.001268118325  -0.000758469471  0.001825697682
  22  Al  6.077225927042  0.021640797849  6.093278272509  -0.033767426318  0.181297632775  0.100708380144  0.000103359052  0.001750294947  0.001102998708
  23  Al  6.159944822481  2.043068165979  4.029199498229  -0.208353734444  -0.004899471453  0.207842528649  0.002753609888  0.000701498831  0.000090244556
  24  Al  4.078104039820  4.033293761375  0.117928972972  0.098399964748  -0.051089045397  -0.482666065306  0.001543952974  -0.000972241808  0.003501966241
  25  Al  4.011144766395  6.185711278157  2.127889880051  0.222032768106  -0.159388844487  -0.311203332554  -0.001075305349  0.003984718154  0.003376591337
  26  Al  6.014777388352  4.139483044256  1.949973550733  0.168698488655  -0.135354806994  0.263470174828  -0.002182803345  0.003565509422  -0.002402565571
  27  Al  6.029377135023  6.121317928441  0.098353451614  0.005164103807  -0.195578602937  -0.466155606443  -0.001785887468  0.001310075022  0.002992032822
  28  Al  4.072859541384  4.099054210402  4.127357914775  -0.071814512206  -0.002722233055  -0.226813577704  0.000735737382  0.001994719332  0.002288373273
  29  Al  3.963511901490  6.105801116277  6.219936521275  0.382000527488  -0.067654384042  -0.219849868042  -0.002220662828  0.001031853175  0.005121401614
  30  Al  6.102278631767  3.948352491566  6.096766142722  -0.071770678303  0.381270852722  -0.156890805560  0.000977842087  -0.003386671067  0.000662304122
  31  Al  6.166798479270  6.035484544184  4.032117389489  -0.229252363031  0.153761995851  -0.114696650863  0.003110122740  -0.001180475640  -0.001315404711


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)
  -74.647854985154  -0.218777766778  0.422645528818
  -0.218777766778  -75.641997594551  -1.654248395162
  0.422645528818  -1.654248395162  -68.306563964274
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.000958283656  8.069097754510  8.042272653326  0.304277026392  0.030515854313  -0.106412779608  -0.003029497926  -0.001136093056  -0.002803012542
  1  Al  8.058094537179  1.956727971661  1.925943515761  0.219452373801  0.189213071704  0.043771755873  -0.000916921362  -0.002176473693  -0.003886576427
  2  Al  1.966405250307  8.000798390698  1.977619447069  0.047423861162  0.328360774821  0.210013973624  -0.002084066087  -0.003389746629  -0.001244460304
  3  Al  1.959388556596  1.992136992905  8.070241713656  -0.010951085247  -0.041545255501  -0.119377215924  -0.002585754757  -0.001444093614  -0.001919054153
  4  Al  0.025274054690  8.023212150186  4.193371324149  0.168604509431  0.145131253817  -0.517937041509  0.001616643838  -0.002798405180  0.004279574145
  5  Al  0.013385146636  2.020624906303  6.129517664004  -0.007962803076  -0.078755462281  -0.210412238363  0.000491922056  -0.000427089957  0.001614016994
  6  Al  1.993020333163  8.095497323242  6.055400291779  0.023466995092  0.163837085587  0.133083783186  -0.001431353187  0.000639688170  -0.000429775865
  7  Al  2.015634998067  2.041740308469  4.113779086567  -0.047684373370  -0.121422999151  -0.077193384462  -0.000527939168  0.000259444703  0.002576170761
  8  Al  8.056634666304  4.137134890544  7.971971335968  -0.003648175677  -0.244176184434  0.307027725885  -0.001752581673  0.002726886338  -0.004283689338
  9  Al  0.030875382003  6.061701156068  2.020559607694  -0.090089646689  -0.012405187391  0.081939225906  0.001081791840  -0.000567589010  0.000217265896
  10  Al  2.080554997905  3.958143080079  2.018983806366  -0.225022506132  0.400864447045  0.286423417897  0.001647510760  -0.002064397801  0.000642962762
  11  Al  2.042273560525  6.108753161641  0.119179687800  -0.123969672231  -0.053773871145  -0.098146634891  0.000185595555  0.001296065362  0.004936485947
  12  Al  8.055972709071  4.086301201968  3.973461874704  0.329428585066  -0.140974221202  0.230551847965  -0.000703653346  0.001250199884  -0.002217469184
  13  Al  0.007605751137  6.039987808120  5.988636925862  -0.078845930796  0.021632154888  0.255051349976  0.000121996186  -0.001310535171  -0.002803050754
  14  Al  2.001660140426  4.002571841889  6.108008186668  -0.071693385097  -0.069546005731  -0.235042210754  -0.001332498895  -0.002413521977  0.000625637584
  15  Al  2.108786366421  6.084720820672  3.947554076859  -0.358129100386  -0.160037788903  0.242468686126  0.002175957378  -0.000083526873  -0.003785847772
  16  Al  4.164374789130  0.121664483230  0.005420814245  -0.044720534616  -0.222220091339  0.201450947338  0.004446823990  0.004454994231  0.001001816382
  17  Al  3.926969207479  1.923527397184  2.007596854974  0.366380922742  0.195382282831  0.040620247962  -0.003701554687  -0.003486049629  -0.000688748439
  18  Al  6.153203457826  7.995920634842  1.908248160586  -0.291308988134  0.224791441089  0.268437328345  0.002043841579  -0.003868778963  -0.003962367443
  19  Al  6.103492150856  2.131439959087  7.953821389513  -0.187144339809  -0.454682670095  0.404598417982  0.000354315913  0.002960403327  -0.005131420970
  20  Al  4.079550891403  0.117067817722  4.059771331444  -0.185692206972  -0.375161390817  -0.000371980531  0.000623017608  0.003488436475  0.000254018127
  21  Al  4.078810490545  1.993554727943  6.108132672502  0.011104611869  0.182287384316  0.102816264913  0.001270127160  -0.000726291332  0.001844342414
  22  Al  6.077276097176  0.022524049261  6.093834273491  -0.040172460132  0.175269802911  0.102361611007  0.000096748879  0.001782171819  0.001121153019
  23  Al  6.161312314088  2.043418696390  4.029253910993  -0.211983288058  -0.002787561631  0.202419304752  0.002716032060  0.000700811616  0.000126921668
  24  Al  4.078880414750  4.032805356809  0.119658381093  0.098889112555  -0.048204363521  -0.494900364368  0.001561590475  -0.000981118567  0.003414572506
  25  Al  4.010617038505  6.187696512610  2.129564265043  0.232474215212  -0.161822971423  -0.321005614513  -0.001034672752  0.003956002049  0.003320072312
  26  Al  6.013693527442  4.141259748655  1.948784044969  0.175887769883  -0.148313859480  0.269490466765  -0.002151997581  0.003540149647  -0.002354919273
  27  Al  6.028484422122  6.121964223659  0.099828631037  0.001624160525  -0.200595936006  -0.485889580941  -0.001785280602  0.001274657303  0.002906920667
  28  Al  4.073224199992  4.100051448385  4.128491962926  -0.071162124201  -0.004545105607  -0.224999316823  0.000722955373  0.001994069637  0.002247981525
  29  Al  3.962418645362  6.106314018738  6.222487394872  0.386244293093  -0.069561362590  -0.218439927002  -0.002151982294  0.001019586186  0.005082218822
  30  Al  6.102764344686  3.946676198702  6.097090281821  -0.077725238112  0.398181810398  -0.164033646444  0.000964477259  -0.003316988560  0.000633613707
  31  Al  6.168343293142  6.034901179470  4.031454560234  -0.237352578088  0.155064924527  -0.108364419370  0.003068408595  -0.001152866736  -0.001335346210


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)
  -74.302080174848  -0.217263385361  0.457286306199
  -0.217263385361  -75.350713699547  -1.673354814713
  0.457286306199  -1.673354814713  -67.870245516376
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.999457135766  8.068531072030  8.040866390443  0.310023752278  0.029663331701  -0.102980849240  -0.002974579879  -0.001130713080  -0.002821732182
  1  Al  8.057645885940  1.955648192571  1.924002184130  0.221450828547  0.192003822322  0.047363611670  -0.000877504933  -0.002142393177  -0.003878428990
  2  Al  1.965365337093  7.999118194993  1.977006604466  0.044447022315  0.344770084908  0.214403446375  -0.002075852896  -0.003329569214  -0.001206517692
  3  Al  1.958095189708  1.991413089039  8.069276850461  -0.012765595630  -0.042931509738  -0.110762150076  -0.002587875011  -0.001451645777  -0.001939628447
  4  Al  0.026089913171  8.021819434911  4.195487959622  0.169267698438  0.152082103261  -0.529882106141  0.001646849371  -0.002771834519  0.004185899867
  5  Al  0.013630751730  2.020407840983  6.130315267149  -0.007335663369  -0.080053014155  -0.217205738029  0.000490554384  -0.000441287320  0.001575788255
  6  Al  1.992305705536  8.095824490786  6.055191352644  0.029725802976  0.156274669471  0.135680272991  -0.001426597789  0.000668305930  -0.000405748552
  7  Al  2.015368897009  2.041864603256  4.115063721431  -0.048761062154  -0.123212593847  -0.086271111738  -0.000536561320  0.000237574457  0.002561557153
  8  Al  8.055758212395  4.138487419125  7.969843215328  -0.002103574158  -0.247239293207  0.315013490372  -0.001753095876  0.002682954148  -0.004228079301
  9  Al  0.031412250948  6.061416807056  2.020671903296  -0.093530445972  -0.011656416322  0.079903013045  0.001065376335  -0.000569740100  0.000231734476
  10  Al  2.081368694860  3.957128799675  2.019318090771  -0.231956818772  0.397290700220  0.291079520378  0.001606657137  -0.001993043305  0.000694591109
  11  Al  2.042360816903  6.109398790649  0.121643543654  -0.123129641697  -0.056985485937  -0.113108405762  0.000163505054  0.001286163555  0.004917599898
  12  Al  8.055635607737  4.086920000412  3.972363445697  0.334251308377  -0.148648029785  0.230628663932  -0.000644320841  0.001224307863  -0.002176239978
  13  Al  0.007663224845  6.039333507484  5.987246801188  -0.079762783197  0.022476623198  0.262426950605  0.000107816681  -0.001306591878  -0.002756788566
  14  Al  2.000990686309  4.001361972219  6.108310499157  -0.068708995815  -0.060926411759  -0.240256113135  -0.001345050767  -0.002425186117  0.000583146256
  15  Al  2.109858336868  6.084671903604  3.945671991236  -0.362661226600  -0.162514443850  0.258177740810  0.002111519241  -0.000112362810  -0.003741090342
  16  Al  4.166596202134  0.123882047188  0.005930727221  -0.047302915893  -0.234098682376  0.199463961287  0.004438597160  0.004414199661  0.001037657887
  17  Al  3.925134807231  1.921793105887  2.007254296465  0.368430331162  0.198665026358  0.045500046991  -0.003635863090  -0.003450822083  -0.000681049347
  18  Al  6.154212357209  7.993996293458  1.906278975916  -0.289322163603  0.239609383971  0.276641913349  0.001991933572  -0.003827261863  -0.003913637751
  19  Al  6.103660943528  2.132899836599  7.951273764432  -0.183541215048  -0.465248727805  0.425658734874  0.000321176891  0.002878162122  -0.005057196578
  20  Al  4.079854099832  0.118795266380  4.059898323880  -0.189713840310  -0.380320377016  0.004025961068  0.000589456578  0.003420896948  0.000254344790
  21  Al  4.079446050497  1.993199730458  6.109059439559  0.007434087140  0.184624365615  0.097491369915  0.001271784506  -0.000693489686  0.001862249772
  22  Al  6.077322675921  0.023422969668  6.094399425528  -0.043769613753  0.167469060995  0.101365366654  0.000089244518  0.001812812427  0.001139366064
  23  Al  6.162660854542  2.043768977595  4.029326419897  -0.211934493434  -0.003127754884  0.196309232056  0.002678134116  0.000700282791  0.000162567713
  24  Al  4.079665630295  4.032312642808  0.121343545477  0.095809603356  -0.043656366956  -0.506256538723  0.001578996400  -0.000989330850  0.003325069799
  25  Al  4.010110093643  6.189667280206  2.131209952363  0.239367053535  -0.162389104227  -0.328683992755  -0.000992490482  0.003927017722  0.003261990528
  26  Al  6.012625390771  4.143023193903  1.947618631459  0.185719852991  -0.159773391760  0.277889715181  -0.002119670120  0.003512606868  -0.002305983879
  27  Al  6.027591854420  6.122592585745  0.101260372281  0.000666169043  -0.203353230026  -0.505119062128  -0.001785075848  0.001238544539  0.002818325208
  28  Al  4.073582496757  4.101048280039  4.129605896300  -0.074089257629  -0.004884485633  -0.223655545967  0.000709970004  0.001993226638  0.002207872103
  29  Al  3.961359919196  6.106820702463  6.225018740097  0.386830810603  -0.069254542962  -0.219154911717  -0.002082869936  0.001007176144  0.005043098159
  30  Al  6.103243109026  3.945035503006  6.097399756429  -0.080814669484  0.416289937947  -0.173476575312  0.000950303906  -0.003244175372  0.000603440536
  31  Al  6.169866887864  6.034331677448  4.030782043279  -0.242220344243  0.159054752276  -0.102209910834  0.003025535120  -0.001124784663  -0.001354171404


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)
  -73.950154137065  -0.214474166176  0.494045383490
  -0.214474166176  -75.055688392066  -1.689341511744
  0.494045383490  -1.689341511744  -67.438433190673
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.997983703777  8.067967041430  8.039450921145  0.313753155485  0.029913782287  -0.099568696501  -0.002918814672  -0.001125386929  -0.002839839965
  1  Al  8.057217032246  1.954585578484  1.922065086771  0.221125254846  0.195748472986  0.049109745968  -0.000837938949  -0.002107728401  -0.003869804342
  2  Al  1.964329397411  7.997468821484  1.976412929377  0.043289616606  0.362416243304  0.217189544515  -0.002068009304  -0.003266347265  -0.001167933590
  3  Al  1.956800681586  1.990685347128  8.068302085209  -0.012588455035  -0.043643780236  -0.102161978748  -0.002590141645  -0.001459385545  -0.001958663711
  4  Al  0.026920904061  8.020440315666  4.197557224016  0.168122042692  0.160111151566  -0.541327435468  0.001677011771  -0.002743924667  0.004090134505
  5  Al  0.013875701020  2.020183618982  6.131093452259  -0.009056449417  -0.080247599277  -0.222207681510  0.000489088941  -0.000455618080  0.001536505011
  6  Al  1.991593735374  8.096165629173  6.054994543227  0.038196272314  0.149530558684  0.139922907217  -0.001420525605  0.000695644698  -0.000381109826
  7  Al  2.015098436747  2.041977882926  4.116340643720  -0.047437427945  -0.124257653560  -0.095049168973  -0.000545161396  0.000215450795  0.002545347250
  8  Al  8.054881570428  4.139817844691  7.967743256667  -0.003047694184  -0.251527550738  0.322699377545  -0.001753556395  0.002638364751  -0.004171068230
  9  Al  0.031940758338  6.061131415969  2.020791342170  -0.099124930594  -0.011846380920  0.076179297208  0.001048153083  -0.000571841233  0.000245688122
  10  Al  2.082161655042  3.956150036774  2.019678397476  -0.236624035317  0.392170956680  0.294107310519  0.001564766346  -0.001922466001  0.000746906391
  11  Al  2.042437065579  6.110039325196  0.124097287699  -0.120389056227  -0.060746705899  -0.128990388047  0.000141734658  0.001275638382  0.004895956440
  12  Al  8.055328388230  4.087525509830  3.971285634726  0.336374014740  -0.157272957993  0.230936861856  -0.000584367419  0.001196958747  -0.002134976352
  13  Al  0.007713567818  6.038681216242  5.985880137295  -0.082807051826  0.022137581621  0.271513671922  0.000093283055  -0.001302603400  -0.002709054659
  14  Al  2.000315089658  4.000146655772  6.108591332923  -0.063607666488  -0.053148476006  -0.243930797389  -0.001356879782  -0.002435384330  0.000539860294
  15  Al  2.110897885663  6.084608457862  3.943812986517  -0.364970333557  -0.165710055226  0.274291865824  0.002046469504  -0.000141705844  -0.003693487942
  16  Al  4.168813386290  0.126078682892  0.006458472132  -0.048376299579  -0.244634230952  0.196807649206  0.004430043507  0.004371401283  0.001073084283
  17  Al  3.923333344389  1.920076575101  2.006915805627  0.372681786601  0.203146326463  0.049002515498  -0.003569608200  -0.003414900437  -0.000672600886
  18  Al  6.155195391398  7.992093372979  1.904334522835  -0.289150918052  0.255640641772  0.283131217837  0.001940218494  -0.003782986867  -0.003863594436
  19  Al  6.103813327747  2.134318121209  7.948764192935  -0.181569374743  -0.474624130438  0.446793792585  0.000288536267  0.002794138165  -0.004979199950
  20  Al  4.080140347981  0.120488714670  4.060025676234  -0.191898565074  -0.383998261826  0.008936519869  0.000555340703  0.003352567412  0.000255503626
  21  Al  4.080082275051  1.992861238257  6.109994922274  0.005672755977  0.187827877361  0.093373842408  0.001272956248  -0.000660192723  0.001879312985
  22  Al  6.077365341695  0.024336861688  6.094973639555  -0.049488129614  0.160578019701  0.101891585136  0.000080907343  0.001842139600  0.001157537089
  23  Al  6.163990448204  2.044118979181  4.029416478706  -0.214185955584  -0.002103107364  0.190375174553  0.002640039254  0.000699815156  0.000197137020
  24  Al  4.080459411150  4.031816025959  0.122983450892  0.094843885228  -0.040407931252  -0.517881133047  0.001596040685  -0.000996846138  0.003233512628
  25  Al  4.009624548023  6.191623530332  2.132826255571  0.248484765016  -0.163702247758  -0.337578457177  -0.000948876880  0.003897865390  0.003202427145
  26  Al  6.011573857322  4.144772355524  1.946478061090  0.193736168172  -0.172624756746  0.284824759475  -0.002085747025  0.003482890713  -0.002255677610
  27  Al  6.026699346274  6.123202768198  0.102646956244  -0.001893772870  -0.207276056104  -0.525012938009  -0.001785185595  0.001201834576  0.002726232148
  28  Al  4.073934169996  4.102044675023  4.130699835030  -0.074580287898  -0.006621383873  -0.221774972125  0.000696679054  0.001992198022  0.002168050935
  29  Al  3.960335775426  6.107321194882  6.227530493031  0.389575273349  -0.069818857247  -0.218571240557  -0.002013459791  0.000994743082  0.005003965756
  30  Al  6.103714648592  3.943432023330  6.097693722357  -0.085783668109  0.433603777628  -0.181611380902  0.000935410134  -0.003168195485  0.000571695928
  31  Al  6.171368828262  6.033776394807  4.030100388831  -0.249274918910  0.161386733360  -0.095421370688  0.002981595798  -0.001096137425  -0.001371839498


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)
  -73.598893217671  -0.212210936428  0.532019508203
  -0.212210936428  -74.758251884450  -1.702416860942
  0.532019508203  -1.702416860942  -67.006919312205
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.996538321094  8.067405685101  8.038026550477  0.321100349073  0.028301527577  -0.094909995534  -0.002862059226  -0.001120182522  -0.002857226220
  1  Al  8.056807946991  1.953540464170  1.920132379788  0.224618410618  0.198174186102  0.054057175976  -0.000798089786  -0.002072511998  -0.003860581293
  2  Al  1.963297327789  7.995851847727  1.975838670877  0.037752308620  0.378527891646  0.222479920418  -0.002060764214  -0.003200107393  -0.001128627456
  3  Al  1.955505048064  1.989953703494  8.067318186750  -0.016705965712  -0.045131844665  -0.092065744446  -0.002592760545  -0.001467322022  -0.001976027530
  4  Al  0.027766924941  8.019075510244  4.199578094127  0.169583129154  0.166595537275  -0.554119948216  0.001707202370  -0.002714717324  0.003992202297
  5  Al  0.014119840671  2.019952222904  6.131851772161  -0.007039584488  -0.081544487063  -0.230032350436  0.000487649967  -0.000470082176  0.001496075078
  6  Al  1.990885179931  8.096520135484  6.054810242818  0.042126699128  0.140973398928  0.141555412884  -0.001413344789  0.000721615542  -0.000355945867
  7  Al  2.014823735613  2.042080054052  4.117609068681  -0.051021091302  -0.125966003659  -0.105423027209  -0.000553963517  0.000193080980  0.002527425180
  8  Al  8.054004655999  4.141125783876  7.965672147098  0.000445059861  -0.253830832214  0.331498243619  -0.001753789069  0.002593186075  -0.004112583433
  9  Al  0.032460404031  6.060844965823  2.020917591418  -0.101133513209  -0.010858895002  0.074832189811  0.001030250123  -0.000573871068  0.000259188440
  10  Al  2.082933461205  3.955206333674  2.020064997162  -0.245890090588  0.388603300525  0.299330167038  0.001521629930  -0.001852665344  0.000799959274
  11  Al  2.042502551560  6.110674429031  0.126539500095  -0.121981624961  -0.064079685321  -0.143186574343  0.000120066893  0.001264478992  0.004871624016
  12  Al  8.055051240318  4.088116959159  3.970228469344  0.342569734498  -0.164491323782  0.229903571801  -0.000523670337  0.001168193251  -0.002093777549
  13  Al  0.007756507901  6.038030904084  5.984537746529  -0.082007996597  0.023385167955  0.277765439742  0.000078548708  -0.001298533699  -0.002659949502
  14  Al  1.999633806528  3.998926587890  6.108850359452  -0.063083743800  -0.043688638188  -0.250100222925  -0.001368205903  -0.002444041498  0.000495694277
  15  Al  2.111904806372  6.084530197760  3.941978503294  -0.371855523706  -0.168123313849  0.289249483871  0.001980597802  -0.000171550307  -0.003643107751
  16  Al  4.171026245641  0.128253448471  0.007003811505  -0.052463577307  -0.257261245654  0.195432420606  0.004421028495  0.004326532189  0.001108150263
  17  Al  3.921565199031  1.918378205450  2.006581695579  0.372373475682  0.206246340538  0.054940158231  -0.003503000796  -0.003378301028  -0.000663308486
  18  Al  6.156152575703  7.990213306590  1.902415381481  -0.284031164677  0.270144849028  0.292616825373  0.001888976429  -0.003735982023  -0.003812122975
  19  Al  6.103949479795  2.135693974764  7.946294564482  -0.175087350976  -0.485158033464  0.468741001559  0.000256651413  0.002708334330  -0.004897351798
  20  Al  4.080409440536  0.122147833792  4.060153827507  -0.197114159297  -0.389551913724  0.012487373142  0.000520563246  0.003283412583  0.000257418907
  21  Al  4.080719006745  1.992539537734  6.110938752544  0.000240223807  0.189760044022  0.086835236756  0.001273484865  -0.000626436635  0.001895423547
  22  Al  6.077403583265  0.025265109268  6.095556962617  -0.050571207209  0.151731210851  0.099545943782  0.000071962111  0.001870059821  0.001175545460
  23  Al  6.165300893796  2.044468792751  4.029523556918  -0.211052643637  -0.002765312211  0.182969127522  0.002602023230  0.000699379923  0.000230513732
  24  Al  4.081261670980  4.031315796670  0.124577058106  0.089808874689  -0.035051719424  -0.527713055052  0.001612548509  -0.001003592177  0.003140037260
  25  Al  4.009161216763  6.193565145596  2.134412379508  0.253599907649  -0.164006850110  -0.344304004862  -0.000903990872  0.003868568433  0.003141467344
  26  Al  6.010539643747  4.146506084616  1.945362953849  0.206051021181  -0.183570973332  0.294211179021  -0.002050006338  0.003451047071  -0.002203912214
  27  Al  6.025806668825  6.123794420321  0.103986604429  -0.000357283543  -0.209639712390  -0.543127257518  -0.001785386838  0.001164562606  0.002630741183
  28  Al  4.074279175811  4.103040478060  4.131773947236  -0.079274305198  -0.006419351701  -0.221283486228  0.000682924564  0.001991032189  0.002128441828
  29  Al  3.959346459406  6.107815445545  6.230022705853  0.387967661049  -0.069198381747  -0.220078707966  -0.001943948012  0.000982315041  0.004964750766
  30  Al  6.104178519160  3.941867307520  6.097971452358  -0.086244352268  0.452066299746  -0.192101887230  0.000920030953  -0.003089017218  0.000538286231
  31  Al  6.172848483662  6.033235540023  4.029410203781  -0.251321676536  0.165828763307  -0.090004609188  0.002936842822  -0.001066884595  -0.001388416447


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)
  -73.242056696272  -0.208757851212  0.573395465246
  -0.208757851212  -74.458195501699  -1.712337967680
  0.573395465246  -1.712337967680  -66.582944398092
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.995121644552  8.066846858908  8.036593694924  0.324681583686  0.028444535366  -0.091324235810  -0.002804326786  -0.001115109465  -0.002873875427
  1  Al  8.056418942460  1.952513066486  1.918204505478  0.224049194167  0.202395434295  0.055825595317  -0.000757979225  -0.002036701363  -0.003850757852
  2  Al  1.962268633197  7.994268714091  1.975284301921  0.036755405830  0.396045921125  0.225324812703  -0.002054103278  -0.003130861052  -0.001088594035
  3  Al  1.954207921041  1.989218025106  8.066326057679  -0.016281387696  -0.045298545193  -0.083262593773  -0.002595709590  -0.001475406434  -0.001991701757
  4  Al  0.028628106431  8.017725598342  4.201549426313  0.168275519258  0.174427815537  -0.564937535714  0.001737406690  -0.002684230082  0.003892159364
  5  Al  0.014363350987  2.019713536807  6.132589527337  -0.008800732253  -0.081248629763  -0.235037094612  0.000486233854  -0.000484635763  0.001454498204
  6  Al  1.990180390585  8.096887244715  6.054638597360  0.050755274254  0.133931887619  0.145669352011  -0.001405041207  0.000746191877  -0.000330268179
  7  Al  2.014544473230  2.042170963907  4.118868068900  -0.049451043411  -0.126614590566  -0.114163603306  -0.000562945653  0.000170500457  0.002507794293
  8  Al  8.053127781359  4.142411030766  7.963630673234  -0.000152467812  -0.258123053255  0.338976069337  -0.001753762911  0.002547417766  -0.004052643512
  9  Al  0.032971008461  6.060557544900  2.021050530610  -0.106638205234  -0.011390966731  0.071047117555  0.001011675481  -0.000575860190  0.000272229945
  10  Al  2.083683284972  3.954297371430  2.020478356750  -0.250283718168  0.383074385757  0.301935805885  0.001477272349  -0.001783677914  0.000853712019
  11  Al  2.042557132472  6.111303804188  0.128968911714  -0.118891367490  -0.068520282485  -0.159486552951  0.000098533021  0.001252624651  0.004844565256
  12  Al  8.054804717893  4.088693703082  3.969191857177  0.344232557525  -0.173006821766  0.230125096781  -0.000462270706  0.001138021160  -0.002052651317
  13  Al  0.007792116527  6.037382682543  5.983220187794  -0.084643913038  0.022735198731  0.286555708617  0.000063650148  -0.001294410572  -0.002609499597
  14  Al  1.998946883756  3.997702614274  6.109087027200  -0.057783821783  -0.035536022897  -0.253524239796  -0.001379011376  -0.002451124126  0.000450670612
  15  Al  2.112878483465  6.084436907555  3.940169878766  -0.373954851666  -0.171595182706  0.305422004639  0.001913922891  -0.000201920896  -0.003589944548
  16  Al  4.173234414785  0.130405215081  0.007566622395  -0.053811515528  -0.267961677943  0.192335695404  0.004411527578  0.004279577638  0.001142816454
  17  Al  3.919830343594  1.916698274073  2.006252497141  0.376047239829  0.210964524897  0.058557220941  -0.003436092522  -0.003341002676  -0.000653161902
  18  Al  6.157084367826  7.988357390957  1.900522399860  -0.283495677969  0.286273510303  0.299021422224  0.001838239937  -0.003686238622  -0.003759230941
  19  Al  6.104069979160  2.137026455539  7.943866841137  -0.172802048187  -0.493824398999  0.489760900989  0.000225550351  0.002620814005  -0.004811662418
  20  Al  4.080660911227  0.123772127253  4.060283095141  -0.199282841968  -0.392714087565  0.017552227234  0.000485125639  0.003213478566  0.000260104426
  21  Al  4.081355759915  1.992234801623  6.111890345821  -0.001756131013  0.193275088545  0.082323698480  0.001273349344  -0.000592193570  0.001910546234
  22  Al  6.077437303805  0.026206921509  6.096149185015  -0.056340259236  0.144686887933  0.099776568837  0.000062404302  0.001896559385  0.001193364749
  23  Al  6.166592471434  2.044818359104  4.029646992438  -0.213184244395  -0.001232986786  0.176940224162  0.002564096757  0.000699022478  0.000262689369
  24  Al  4.082071959659  4.030812433782  0.126123488152  0.088233825628  -0.031663271570  -0.539140910107  0.001628465398  -0.001009556449  0.003044661284
  25  Al  4.008720557152  6.195492098765  2.135967722915  0.262432122563  -0.165408746198  -0.353015496622  -0.000857857980  0.003839118915  0.003079127482
  26  Al  6.009523850984  4.148223402595  1.944274148876  0.214186716481  -0.196570635117  0.301195233610  -0.002012437386  0.003417062685  -0.002150683309
  27  Al  6.024913959436  6.124367330804  0.105277697428  -0.003000288698  -0.213705888343  -0.562837320844  -0.001785687003  0.001126715814  0.002531868746
  28  Al  4.074617094560  4.104035707212  4.132828276858  -0.079779260251  -0.008254353447  -0.218966449872  0.000668705290  0.001989720371  0.002089083801
  29  Al  3.958391827414  6.108303509923  6.232495243797  0.389965878120  -0.070146021319  -0.219203795838  -0.001874401314  0.000969857751  0.004925479226
  30  Al  6.104634679545  3.940343006113  6.098232008588  -0.091184602647  0.469008032591  -0.200413349412  0.000904168932  -0.003006673835  0.000503195651
  31  Al  6.174305671085  6.032709510212  4.028711972383  -0.258096938897  0.167552939951  -0.083031576068  0.002891301165  -0.001037080510  -0.001403885758


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)
  -72.885741296994  -0.206295643850  0.615759240103
  -0.206295643850  -74.155631397398  -1.719753151255
  0.615759240103  -1.719753151255  -66.159337738373
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.993733994309  8.066290575636  8.035152675050  0.330145027400  0.027316184271  -0.086417557672  -0.002745785758  -0.001110124497  -0.002889765415
  1  Al  8.056049967766  1.951503762808  1.916281621936  0.225689076318  0.204937278054  0.059958369136  -0.000717772948  -0.002000286111  -0.003840406849
  2  Al  1.961243224511  7.992720986676  1.974750076842  0.032773951113  0.412627987715  0.229878097324  -0.002047887404  -0.003058566186  -0.001047899222
  3  Al  1.952909338473  1.988478297060  8.065326484993  -0.018486214422  -0.046480909831  -0.072953439391  -0.002598817789  -0.001483611451  -0.002005667358
  4  Al  0.029504331631  8.016391280162  4.203470253490  0.168143483110  0.181430338057  -0.577104953311  0.001767482307  -0.002652416619  0.003790061587
  5  Al  0.014606074525  2.019467587140  6.133306270365  -0.008597039964  -0.082145085563  -0.242099072980  0.000484678506  -0.000499243044  0.001411842574
  6  Al  1.989480138724  8.097266327361  6.054479974638  0.056559924694  0.125589025328  0.147875262936  -0.001395447306  0.000769392860  -0.000304025502
  7  Al  2.014260789960  2.042250554509  4.120116862975  -0.051102719550  -0.128165494323  -0.124309920620  -0.000571935087  0.000147723301  0.002486474932
  8  Al  8.052250893088  4.143673201642  7.961619503586  0.001853304551  -0.260893941443  0.347447249564  -0.001753610858  0.002501018020  -0.003991277761
  9  Al  0.033472079512  6.060269105633  2.021189821364  -0.110092902582  -0.010533681765  0.068833021050  0.000992299875  -0.000577820238  0.000284735129
  10  Al  2.084410733554  3.953422655760  2.020918709181  -0.257547012378  0.378402558920  0.305989246457  0.001431872647  -0.001715602424  0.000908060082
  11  Al  2.042601084581  6.111927053681  0.131384065351  -0.118673306421  -0.072140643195  -0.174253789299  0.000077294910  0.001240049665  0.004814729110
  12  Al  8.054588969612  4.089254980319  3.968175818027  0.348394163235  -0.180614253731  0.229208974778  -0.000400350376  0.001106407690  -0.002011587182
  13  Al  0.007820158048  6.036736493512  5.981928246932  -0.085312949584  0.023718363173  0.293434099401  0.000048456126  -0.001290257657  -0.002557648926
  14  Al  1.998254795152  3.996475463764  6.109301030064  -0.055501492165  -0.026340668965  -0.258761093298  -0.001389139002  -0.002456655858  0.000404872672
  15  Al  2.113818729263  6.084328276864  3.938388558746  -0.379039354160  -0.174005788362  0.320483151192  0.001846605751  -0.000232817374  -0.003533989077
  16  Al  4.175437773218  0.132533026109  0.008146627958  -0.056727349976  -0.279947300318  0.190340368944  0.004401645483  0.004230594969  0.001177027419
  17  Al  3.918129106509  1.915037202773  2.005928533677  0.377092355464  0.214470215187  0.063890955041  -0.003368762384  -0.003302969117  -0.000642215123
  18  Al  6.157990815640  7.986527067969  1.898656150539  -0.279567171901  0.301580418622  0.307538803796  0.001787902524  -0.003633684904  -0.003705004894
  19  Al  6.104175030146  2.138314788769  7.941482902064  -0.167559001250  -0.503921229517  0.511623538901  0.000195122318  0.002531616264  -0.004722139369
  20  Al  4.080894566175  0.125361312358  4.060413931932  -0.203005772979  -0.397200869471  0.021492419972  0.000449161326  0.003142860737  0.000263594989
  21  Al  4.081992356089  1.991947344165  6.112849298778  -0.005983643852  0.195246743521  0.076176293903  0.001272657413  -0.000557459997  0.001924716019
  22  Al  6.077465987567  0.027161668653  6.096750327366  -0.059021337447  0.136060216345  0.097981406132  0.000052091059  0.001921657974  0.001211044169
  23  Al  6.167864990553  2.045167815229  4.029786246287  -0.211699819516  -0.001513519767  0.169464452692  0.002526112428  0.000698776942  0.000293657698
  24  Al  4.082890136378  4.030306240221  0.127621719389  0.084233048961  -0.026984983870  -0.548840866070  0.001643883813  -0.001014799561  0.002947396496
  25  Al  4.008303358783  6.197404264511  2.137491506990  0.268878192582  -0.165703577975  -0.360243818299  -0.000810359220  0.003809517712  0.003015362612
  26  Al  6.008527206360  4.149923147301  1.943212270540  0.224884672602  -0.208278095623  0.309916984602  -0.001973184720  0.003380869500  -0.002096050316
  27  Al  6.024020981823  6.124921136135  0.106518473175  -0.002808426063  -0.216123246865  -0.581246122265  -0.001786206298  0.001088289399  0.002429588510
  28  Al  4.074947881100  4.105030198431  4.133863031036  -0.082768958996  -0.008988501580  -0.218132203187  0.000654173596  0.001988178872  0.002050007496
  29  Al  3.957472058092  6.108785303296  6.234948185079  0.389571121394  -0.069646940560  -0.219875280809  -0.001804711267  0.000957360361  0.004886225873
  30  Al  6.105082688092  3.938860633685  6.098474648009  -0.093138444039  0.486856010227  -0.210260025551  0.000887690584  -0.002921220278  0.000466481747
  31  Al  6.175739784827  6.032198459513  4.028006318023  -0.261585404179  0.171393393304  -0.077034553071  0.002844841937  -0.001006778952  -0.001418195554


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)
  -72.526121690197  -0.202409336644  0.661077456466
  -0.202409336644  -73.851079579846  -1.723299565640
  0.661077456466  -1.723299565640  -65.744274243575
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.992375858794  8.065736734411  8.033703929509  0.332273123206  0.027834943790  -0.082302965283  -0.002686566052  -0.001105194026  -0.002904848908
  1  Al  8.055701169512  1.950512780375  1.914364098629  0.223522148328  0.209793099680  0.060957803378  -0.000677613787  -0.001963209514  -0.003829597030
  2  Al  1.960220745793  7.991210147905  1.974236402699  0.032663245450  0.430370046046  0.231884456902  -0.002042037365  -0.002983202769  -0.001006617982
  3  Al  1.951609103252  1.987734413655  8.064320390322  -0.016850929323  -0.045954131593  -0.063717211868  -0.002601976904  -0.001491875077  -0.002017885616
  4  Al  0.030395588738  8.015073181723  4.205339487900  0.165248774404  0.189552232038  -0.587603908804  0.001797287335  -0.002619251044  0.003685937453
  5  Al  0.014848029493  2.019214293763  6.134001369911  -0.011956370880  -0.080937947660  -0.246278144174  0.000482841046  -0.000513822550  0.001368182003
  6  Al  1.988784943279  8.097656637575  6.054334571858  0.066169410321  0.118803680249  0.152764022517  -0.001384475392  0.000791241392  -0.000277148566
  7  Al  2.013972538143  2.042318687208  4.121354543832  -0.048372173896  -0.127960867880  -0.133144171462  -0.000580828071  0.000124825788  0.002463458721
  8  Al  8.051374170501  4.144912048787  7.959639395472  -0.000080398985  -0.265577643988  0.354877517461  -0.001753452361  0.002453951839  -0.003928490433
  9  Al  0.033963308336  6.059979724662  2.021335265739  -0.116936200676  -0.011715464484  0.064237790981  0.000972003637  -0.000579809295  0.000296631564
  10  Al  2.085115157619  3.952581769006  2.021386416831  -0.260502244187  0.372053831719  0.307531338241  0.001385559416  -0.001648512162  0.000962908380
  11  Al  2.042634427382  6.112543853853  0.133783640824  -0.114562571380  -0.077325139523  -0.190666820192  0.000056443790  0.001226687532  0.004782105470
  12  Al  8.054404367518  4.089800110772  3.967180269995  0.348254328252  -0.189418280537  0.229130888222  -0.000338070502  0.001073327048  -0.001970611928
  13  Al  0.007840572653  6.036092424886  5.980662538868  -0.089186584601  0.022332817468  0.302812816457  0.000032855994  -0.001286140714  -0.002504344881
  14  Al  1.997557744754  3.995245958416  6.109491899872  -0.049218107897  -0.018509237537  -0.261300093260  -0.001398500858  -0.002460665407  0.000358379576
  15  Al  2.114725089216  6.084204090181  3.936635889689  -0.379946110396  -0.178167913257  0.336165387357  0.001778752997  -0.000264301450  -0.003475285171
  16  Al  4.177636060268  0.134635810050  0.008743649814  -0.057162869047  -0.289907784125  0.187110761095  0.004391463779  0.004179650335  0.001210771278
  17  Al  3.916461581209  1.913395304956  2.005610282018  0.381802391456  0.220059747784  0.066719203807  -0.003300917740  -0.003264122451  -0.000630538669
  18  Al  6.158872270350  7.984723706053  1.896817394966  -0.279582552794  0.318083882025  0.313101165554  0.001737914941  -0.003578287361  -0.003649520127
  19  Al  6.104265101478  2.139558071803  7.939144701768  -0.165934083742  -0.511514005401  0.532712776379  0.000165308276  0.002440837085  -0.004628776454
  20  Al  4.081110072553  0.126914987990  4.060546690130  -0.203708900675  -0.399446419233  0.026454260454  0.000412801327  0.003071641043  0.000267881388
  21  Al  4.082628417328  1.991677341625  6.113815061840  -0.006821540211  0.199382604674  0.072158604116  0.001271512639  -0.000522180418  0.001937977052
  22  Al  6.077489394864  0.028128579483  6.097360229184  -0.065635281221  0.129384516878  0.098619168952  0.000040946847  0.001945388542  0.001228620119
  23  Al  6.169118583861  2.045517136046  4.029940650136  -0.214694217389  0.000844439816  0.163255943847  0.002487993108  0.000698717127  0.000323402662
  24  Al  4.083715843472  4.029797634222  0.129070884648  0.083636733626  -0.024180960873  -0.559664630181  0.001658891250  -0.001019373759  0.002848296902
  25  Al  4.007910197932  6.199301616477  2.138983085527  0.278888445632  -0.167658537885  -0.369423260831  -0.000761389277  0.003779715379  0.002950130901
  26  Al  6.007550666264  4.151604272095  1.942178098560  0.232093039271  -0.221719303017  0.316072411384  -0.001932331241  0.003342428042  -0.002040087315
  27  Al  6.023127753138  6.125455620203  0.107707285937  -0.006066366804  -0.220869927045  -0.600537756422  -0.001786999698  0.001049222524  0.002323937881
  28  Al  4.075271268156  4.106023886084  4.134878284353  -0.081928376263  -0.011543312157  -0.215794105482  0.000639449773  0.001986343343  0.002011214796
  29  Al  3.956587116148  6.109260870284  6.237381469669  0.392531780966  -0.071298507550  -0.218181840270  -0.001734791830  0.000944759940  0.004847063881
  30  Al  6.105522370129  3.937421785835  6.098698490335  -0.098863091684  0.503047498378  -0.217824726812  0.000870525785  -0.002832723616  0.000428211278
  31  Al  6.177150513022  6.031702731259  4.027293776829  -0.269074448863  0.172162043201  -0.070126682064  0.002797401328  -0.000976065343  -0.001431351663


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)
  -72.168592158265  -0.199484911492  0.707849269592
  -0.199484911492  -73.545126365876  -1.724389852210
  0.707849269592  -1.724389852210  -65.331039137541
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.991047428257  8.065185381610  8.032247826142  0.337787849978  0.026555513965  -0.078246682200  -0.002626663083  -0.001100331558  -0.002919201931
  1  Al  8.055372353978  1.949540553294  1.912452024905  0.224797559245  0.212603172472  0.064547125898  -0.000637534328  -0.001925447591  -0.003818376980
  2  Al  1.959201187146  7.989737783907  1.973743458859  0.029597143664  0.446389284680  0.235865370488  -0.002036471331  -0.002904821115  -0.000964801484
  3  Al  1.950307361569  1.986986421983  8.063308599377  -0.018053091819  -0.046986140521  -0.054414788475  -0.002605097299  -0.001500183871  -0.002028446531
  4  Al  0.031301618966  8.013772029118  4.207156190943  0.164951245235  0.196206103869  -0.598026114675  0.001826806979  -0.002584764527  0.003579942982
  5  Al  0.015088915571  2.018953764591  6.134674452368  -0.011950288534  -0.081472617870  -0.252869832869  0.000480703808  -0.000528341937  0.001323558533
  6  Al  1.988095663332  8.098057568753  6.054202826072  0.072856646054  0.110161752655  0.155414703370  -0.001372046562  0.000811710737  -0.000249597610
  7  Al  2.013679961888  2.042375380297  4.122580321696  -0.049012952612  -0.129245561917  -0.141932749939  -0.000589534231  0.000101831719  0.002438867043
  8  Al  8.050497440727  4.146127153481  7.957691013153  0.001958389539  -0.268257878323  0.362101771897  -0.001753284470  0.002406227328  -0.003864393000
  9  Al  0.034444083149  6.059689296338  2.021486452927  -0.120276743720  -0.011057957296  0.061591273956  0.000950796971  -0.000581845223  0.000307880592
  10  Al  2.085796292970  3.951774143597  2.021881617562  -0.266741546411  0.367291484367  0.310801896950  0.001338424201  -0.001582415223  0.001018186927
  11  Al  2.042657528372  6.113153741213  0.136166170821  -0.113379623003  -0.081140241029  -0.206683346389  0.000036065922  0.001212520841  0.004746582651
  12  Al  8.054250899110  4.090328307367  3.966205206099  0.351930944735  -0.196744959725  0.229152207174  -0.000275474443  0.001038804332  -0.001929641749
  13  Al  0.007853014042  6.035450352798  5.979423902052  -0.089542363270  0.023138167193  0.309929603876  0.000016877754  -0.001282075641  -0.002449566149
  14  Al  1.996856294293  3.994014798357  6.109659409640  -0.046073647591  -0.009041990721  -0.265959633228  -0.001407019873  -0.002463128467  0.000311242936
  15  Al  2.115597482260  6.084063975414  3.934913273575  -0.384030226587  -0.180623036548  0.351998404596  0.001710454062  -0.000296377102  -0.003413763823
  16  Al  4.179829236998  0.136712676443  0.009357399236  -0.060644055195  -0.301919822519  0.183706131718  0.004380931925  0.004126741373  0.001243922041
  17  Al  3.914828188769  1.911773080322  2.005297995008  0.382476238681  0.223600590116  0.071638656001  -0.003232591781  -0.003224459536  -0.000618169576
  18  Al  6.159728730581  7.982948780608  1.895006630412  -0.276073621882  0.333143283389  0.321131856598  0.001688239679  -0.003520068121  -0.003592820151
  19  Al  6.104340338423  2.140755625854  7.936854125610  -0.161071226298  -0.520752295364  0.553207283786  0.000136074237  0.002348553220  -0.004531695982
  20  Al  4.081307367502  0.128432953400  4.060681813320  -0.207374713693  -0.403593384093  0.031572016421  0.000376050748  0.002999849862  0.000273068895
  21  Al  4.083263868728  1.991425163747  6.114787275830  -0.011232792080  0.201364461316  0.066064795664  0.001269898595  -0.000486353918  0.001950334125
  22  Al  6.077506934414  0.029107057196  6.097978947485  -0.069071125646  0.120745174317  0.096772183782  0.000028904191  0.001967749957  0.001246087966
  23  Al  6.170352983661  2.045866532355  4.030109648949  -0.213816557466  0.000786084978  0.156927429482  0.002449684553  0.000698862894  0.000352026825
  24  Al  4.084549027629  4.029286866462  0.130470016291  0.079249491598  -0.019365819685  -0.570036904230  0.001673453162  -0.001023266810  0.002747302398
  25  Al  4.007541969507  6.201183979890  2.140441637891  0.285053177744  -0.167882530540  -0.376634154153  -0.000710973301  0.003749718249  0.002883433905
  26  Al  6.006594875119  4.153265575342  1.941172183226  0.242095511106  -0.233165558297  0.324093692554  -0.001889939126  0.003301761663  -0.001982856926
  27  Al  6.022233982125  6.125970358658  0.108842411056  -0.006593345834  -0.223578969721  -0.619542656334  -0.001788131467  0.001009489112  0.002214863570
  28  Al  4.075587330873  4.107016541774  4.135874245832  -0.084972984594  -0.012215266883  -0.213523158165  0.000624528911  0.001984219343  0.001972834141
  29  Al  3.955737266262  6.109730063236  6.239795248960  0.391515592235  -0.070939020658  -0.218415530661  -0.001664698559  0.000932044007  0.004808032391
  30  Al  6.105953213877  3.936027910069  6.098902859287  -0.101333098387  0.520402685050  -0.227152649704  0.000852628390  -0.002741227907  0.000388430621
  31  Al  6.178537186155  6.031222394169  4.026574966360  -0.273025785193  0.175595293345  -0.063078203187  0.002748937957  -0.000944976088  -0.001443260084


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)
  -71.809398726528  -0.195728295365  0.756289491441
  -0.195728295365  -73.237238212285  -1.721738401401
  0.756289491441  -1.721738401401  -64.924065043894
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.989749195711  8.064636402853  8.030784727578  0.341169801143  0.026244789025  -0.073713283640  -0.002565964758  -0.001095611249  -0.002932787043
  1  Al  8.055063635184  1.948587332783  1.910545721648  0.223765201519  0.216295475122  0.066443441982  -0.000597433140  -0.001887104361  -0.003806666518
  2  Al  1.958184274462  7.988305326790  1.973271601214  0.028512532077  0.463236917477  0.238341441657  -0.002031276368  -0.002823501188  -0.000922407737
  3  Al  1.949004005953  1.986234229784  8.062291943790  -0.017155529947  -0.047448609265  -0.044649202603  -0.002608244924  -0.001508626269  -0.002037302781
  4  Al  0.032222395717  8.012488417197  4.208919430882  0.162803528391  0.203559944279  -0.608329144571  0.001856108020  -0.002549025730  0.003472095690
  5  Al  0.015328733301  2.018685951825  6.135324928443  -0.014392269073  -0.080993234464  -0.257809936165  0.000478348802  -0.000542866268  0.001277904129
  6  Al  1.987412896717  8.098468348312  6.054084974248  0.081616660265  0.102253697495  0.159524091184  -0.001358236760  0.000830700525  -0.000221442308
  7  Al  2.013383003911  2.042420518926  4.123793410874  -0.047235264389  -0.129704405317  -0.150909145956  -0.000598138753  0.000078681778  0.002412687188
  8  Al  8.049620886031  4.147318276115  7.955775002472  0.001467230371  -0.271942438877  0.369425657537  -0.001752978222  0.002357933808  -0.003798994975
  9  Al  0.034914105307  6.059397879439  2.021643146331  -0.125778127944  -0.011233940319  0.057554657116  0.000928799842  -0.000583838103  0.000318532152
  10  Al  2.086453581819  3.950999353783  2.022404603758  -0.270506093961  0.361257613929  0.312670660599  0.001290394648  -0.001517283458  0.001073924925
  11  Al  2.042670493305  6.113756374694  0.138530223475  -0.110157768550  -0.085402273986  -0.222853127731  0.000016081840  0.001197632060  0.004708182399
  12  Al  8.054128893075  4.090838915105  3.965250628246  0.352912900228  -0.204715169827  0.228950678966  -0.000212461910  0.001002914086  -0.001888687681
  13  Al  0.007857450407  6.034810349246  5.978212972719  -0.092087486277  0.022854471021  0.318325132593  0.000000640176  -0.001277963932  -0.002393400628
  14  Al  1.996150724881  3.992782829950  6.109803142808  -0.040908752688  -0.000352888218  -0.269290868361  -0.001414796037  -0.002463968362  0.000263391927
  15  Al  2.116435543278  6.083907713078  3.933222125866  -0.385931252445  -0.183772684782  0.367466420214  0.001641620060  -0.000328953818  -0.003349444185
  16  Al  4.182016992193  0.138762551422  0.009987571855  -0.062526821268  -0.312660130352  0.180314594410  0.004369920537  0.004071798367  0.001276465232
  17  Al  3.913228989429  1.910170845420  2.004992112443  0.385421050130  0.228248868638  0.075268737716  -0.003163942316  -0.003184064520  -0.000605036160
  18  Al  6.160560510029  7.981203637932  1.893224574815  -0.274538967703  0.349012229533  0.327477893952  0.001639015309  -0.003459083909  -0.003534834906
  19  Al  6.104401175715  2.141906625024  7.934613005785  -0.158045476731  -0.528892664087  0.573940620177  0.000107545433  0.002254715716  -0.004430929771
  20  Al  4.081486123301  0.129914837853  4.060819759026  -0.209131508272  -0.406382371764  0.036487339757  0.000338815391  0.002927438612  0.000279153353
  21  Al  4.083898315923  1.991190987707  6.115765395965  -0.013556500668  0.204189812055  0.061158441407  0.001267682450  -0.000450097658  0.001961707791
  22  Al  6.077518299055  0.030096329440  6.098606317150  -0.074544870804  0.113054706113  0.096373842383  0.000016065024  0.001988651498  0.001263355081
  23  Al  6.171568268414  2.046215998940  4.030292676961  -0.215334803141  0.002055383535  0.150436231436  0.002411318730  0.000699116920  0.000379504915
  24  Al  4.085389296633  4.028774367412  0.131818187046  0.077050968932  -0.015729447723  -0.580018178791  0.001687426310  -0.001026404302  0.002644488301
  25  Al  4.007199224630  6.203051334726  2.141866519432  0.293353162374  -0.168793487072  -0.384991954454  -0.000659264191  0.003719619655  0.002815345079
  26  Al  6.005660727138  4.154906033757  1.940195241634  0.250080198640  -0.245620276424  0.330848894690  -0.001845938972  0.003258958553  -0.001924305530
  27  Al  6.021339621671  6.126465109315  0.109922149508  -0.008812771346  -0.227246485378  -0.638391425590  -0.001789508763  0.000969185641  0.002102405169
  28  Al  4.075895797067  4.108008105427  4.136851118495  -0.085580017941  -0.014194051525  -0.211395803450  0.000609281595  0.001981858369  0.001934846692
  29  Al  3.954922417588  6.110192914291  6.242189502060  0.392742330341  -0.071436811170  -0.217334941537  -0.001594586465  0.000919315710  0.004769076612
  30  Al  6.106374998519  3.934680557928  6.099086920956  -0.105705533545  0.536872051943  -0.235234786279  0.000834119285  -0.002646708306  0.000347093517
  31  Al  6.179899450979  6.030757755172  4.025850516745  -0.278965747720  0.177385410385  -0.056086978647  0.002699590312  -0.000913419867  -0.001453913365


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)
  -71.454595090342  -0.192799337888  0.806398773615
  -0.192799337888  -72.928799011377  -1.716006279511
  0.806398773615  -1.716006279511  -64.519966207618
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.988481463500  8.064089770361  8.029315039099  0.347579069118  0.024602673353  -0.068305189097  -0.002504391104  -0.001091065522  -0.002945483392
  1  Al  8.054774920838  1.947653448933  1.908645358388  0.226093338360  0.218487762813  0.071492734859  -0.000557216111  -0.001848235052  -0.003794335123
  2  Al  1.957169910777  7.986914282719  1.972821051122  0.023319150403  0.478740161283  0.243453826435  -0.002026642653  -0.002739289115  -0.000879335586
  3  Al  1.947699116645  1.985477795714  8.061271296596  -0.020131703127  -0.048570988250  -0.034139635540  -0.002611578376  -0.001517210352  -0.002044346446
  4  Al  0.033157726985  8.011223003388  4.210628286633  0.163066829964  0.210007441588  -0.619661912582  0.001885240595  -0.002512053103  0.003362314173
  5  Al  0.015567264373  2.018410898323  6.135952356496  -0.013373610501  -0.081751064489  -0.265400294261  0.000475866552  -0.000557415491  0.001231129511
  6  Al  1.986737426573  8.098888269279  6.053981383764  0.086161204033  0.093429260003  0.160963713133  -0.001343237539  0.000848194441  -0.000192790929
  7  Al  2.013081823136  2.042454062075  4.124993008884  -0.050149739219  -0.131340701219  -0.160827865931  -0.000606844902  0.000055344533  0.002384818123
  8  Al  8.048744462504  4.148485087290  7.953892018179  0.005224253623  -0.274148680903  0.377399997331  -0.001752380009  0.002309113655  -0.003732229298
  9  Al  0.035372882991  6.059105458235  2.021804985080  -0.127990183811  -0.010076721034  0.055771231005  0.000906113138  -0.000585743260  0.000328663405
  10  Al  2.087086687618  3.950256860139  2.022955542486  -0.278515200607  0.356518243005  0.316335270712  0.001241312540  -0.001453114813  0.001130157602
  11  Al  2.042673610212  6.114351373273  0.140874353220  -0.111073617876  -0.089220883060  -0.237424971807  -0.000003696086  0.001182020875  0.004667033868
  12  Al  8.054038437200  4.091331221453  3.964316518418  0.357380649923  -0.211758349547  0.227785775344  -0.000148962178  0.000965681653  -0.001847855770
  13  Al  0.007853654218  6.034172388866  5.977030501424  -0.091200308574  0.024240338342  0.324132653046  -0.000015745621  -0.001273753690  -0.002335965364
  14  Al  1.995441498257  3.991550829994  6.109922801567  -0.040067290594  0.009210057021  -0.274610329954  -0.001422035237  -0.002463176538  0.000214767551
  15  Al  2.117239102320  6.083735021596  3.931563829390  -0.391975846863  -0.185723756139  0.381786519313  0.001572075725  -0.000361986534  -0.003282461512
  16  Al  4.184199157535  0.140784474811  0.010633864469  -0.067009769068  -0.324848590777  0.177744824799  0.004358340059  0.004014805546  0.001308475487
  17  Al  3.911664246453  1.908589015803  2.004692958848  0.384296738505  0.231531013072  0.081044442662  -0.003095130099  -0.003142960529  -0.000591061875
  18  Al  6.161367745890  7.979489696698  1.891471795506  -0.268279836524  0.363665615148  0.336505473278  0.001590487699  -0.003395371023  -0.003475475271
  19  Al  6.104447883856  2.143010341570  7.932423195839  -0.150879293536  -0.538296803675  0.594906738339  0.000079927781  0.002159309746  -0.004326435658
  20  Al  4.081646182894  0.131360392013  4.060960966673  -0.213644174053  -0.410621244487  0.040530165433  0.000301019550  0.002854399077  0.000286038662
  21  Al  4.084531551177  1.990975066089  6.116748983621  -0.019304753083  0.205510821133  0.054072391560  0.001264744677  -0.000413470716  0.001972009344
  22  Al  6.077522999438  0.031095708694  6.099242302567  -0.075695307977  0.104068147795  0.093229409824  0.000002633660  0.002008062125  0.001280305476
  23  Al  6.172764302390  2.046565649275  4.030489153864  -0.211785278321  0.001530293916  0.142928848154  0.002373134502  0.000699437477  0.000405731542
  24  Al  4.086236453939  4.028260462160  0.133114504592  0.070998687848  -0.010792978681  -0.588410569343  0.001700661843  -0.001028775388  0.002540031612
  25  Al  4.006882705316  6.204903599545  2.143256982969  0.297834267621  -0.168567684374  -0.391125777299  -0.000606412460  0.003689459809  0.002745960712
  26  Al  6.004748936147  4.156524533896  1.939247877696  0.261964980705  -0.256605228861  0.339902714796  -0.001800162501  0.003214059955  -0.001864340819
  27  Al  6.020444473362  6.126939544299  0.110944816225  -0.007014376993  -0.229067865860  -0.655508945934  -0.001790923698  0.000928391466  0.001986731407
  28  Al  4.076196612468  4.108998400142  4.137809092524  -0.089749244384  -0.014647382687  -0.210376173593  0.000593607285  0.001979279965  0.001897140581
  29  Al  3.954142679797  6.110649378946  6.244564325572  0.390000823022  -0.070479725049  -0.218438508094  -0.001524609791  0.000906628474  0.004730118779
  30  Al  6.106787333162  3.933381201763  6.099249952805  -0.105741959392  0.553638839942  -0.245521479233  0.000815216031  -0.002549217417  0.000304114253
  31  Al  6.181236776466  6.030308974302  4.025121052995  -0.280338498623  0.181337980680  -0.050235077353  0.002649588914  -0.000881350254  -0.001463418480


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)
  -71.098670797747  -0.188742188120  0.859838044683
  -0.188742188120  -72.619950831241  -1.706721181809
  0.859838044683  -1.706721181809  -64.124817999555
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.987244804607  8.063545337331  8.027839244185  0.350874752798  0.024326645893  -0.063757802713  -0.002441949835  -0.001086691276  -0.002957289729
  1  Al  8.054506419074  1.946739097731  1.906751386526  0.224742571553  0.222365667059  0.073491246841  -0.000516911705  -0.001808823073  -0.003781373659
  2  Al  1.956157631808  7.985566037675  1.972392265628  0.022512913027  0.495054744933  0.246031347788  -0.002022545300  -0.002652232551  -0.000835575964
  3  Al  1.946392427577  1.984717019432  8.060247597344  -0.018838113966  -0.048766406065  -0.024653902731  -0.002615062249  -0.001525912245  -0.002049602546
  4  Al  0.034107636312  8.009976364094  4.212281745055  0.160634894508  0.217153509072  -0.629214641886  0.001914179296  -0.002473865221  0.003250665508
  5  Al  0.015804599853  2.018128536335  6.136556057954  -0.015885642335  -0.081056384497  -0.270341697516  0.000473250796  -0.000571970360  0.001183234562
  6  Al  1.986069659178  8.099316542753  6.053892183319  0.094984505966  0.085754299657  0.164922214096  -0.001327043243  0.000864213322  -0.000163656962
  7  Al  2.012776159009  2.042475863460  4.126178228998  -0.048114631372  -0.131658346444  -0.169341719061  -0.000615629666  0.000031832608  0.002355301200
  8  Al  8.047868506022  4.149627389770  7.952042773174  0.005008328452  -0.277940177430  0.384372970005  -0.001751465223  0.002259757309  -0.003664127343
  9  Al  0.035820218444  6.058812136179  2.021971809736  -0.133381468837  -0.010328147707  0.051865651330  0.000882746700  -0.000587567441  0.000338286065
  10  Al  2.087694894359  3.949546238970  2.023534761360  -0.281789254202  0.350324653834  0.317820087205  0.001191221725  -0.001389923567  0.001186850635
  11  Al  2.042666797218  6.114938395569  0.143197257343  -0.107570311093  -0.093736597086  -0.253555062242  -0.000023242696  0.001165664608  0.004623140607
  12  Al  8.053979930897  4.091804596757  3.963402772475  0.357870536627  -0.219564335368  0.227632486734  -0.000085019236  0.000927121715  -0.001807141706
  13  Al  0.007841704787  6.033536595556  5.975877007355  -0.093487815294  0.023974230074  0.332045961241  -0.000032256606  -0.001269443342  -0.002277303468
  14  Al  1.994728689645  3.990319653412  6.110017910359  -0.034753165740  0.017727282058  -0.277715161929  -0.001428724132  -0.002460768359  0.000165390049
  15  Al  2.118007619003  6.083545726545  3.929939664354  -0.393555105335  -0.188865430223  0.396774127797  0.001501849823  -0.000395474537  -0.003212858750
  16  Al  4.186375332252  0.142777356969  0.011296047342  -0.069220457328  -0.335383955841  0.173946930054  0.004346161175  0.003955781232  0.001339916476
  17  Al  3.910133859330  1.907027884891  2.004401050568  0.386809216880  0.236203120497  0.084655067694  -0.003026193782  -0.003101145434  -0.000576248458
  18  Al  6.162150997728  7.977808266909  1.889749099544  -0.266517677136  0.379275770954  0.342820944870  0.001542677186  -0.003328952598  -0.003414743978
  19  Al  6.104481103496  2.144065934770  7.930286570127  -0.147710327000  -0.545758464673  0.614986107018  0.000053234084  0.002062395985  -0.004218272109
  20  Al  4.081787142851  0.132769236930  4.061105797688  -0.215200594544  -0.412926202177  0.045576510708  0.000262681136  0.002780774528  0.000293736537
  21  Al  4.085163060600  1.990777516990  6.117737405309  -0.021864161754  0.208287369162  0.048883020836  0.001261064206  -0.000376477456  0.001981213484
  22  Al  6.077520932715  0.032104391565  6.099886622626  -0.081192425948  0.096570152502  0.092303276499  -0.000011391990  0.002025999044  0.001296891964
  23  Al  6.173941402916  2.046915436417  4.030698408504  -0.213212552101  0.002876803895  0.136679816545  0.002335140002  0.000699831468  0.000430728356
  24  Al  4.087089958476  4.027745592024  0.134358218658  0.068294640949  -0.007358990456  -0.597963000669  0.001713114566  -0.001030398161  0.002433970669
  25  Al  4.006592812170  6.206740794535  2.144612480144  0.305695989120  -0.169333759920  -0.399046952957  -0.000552457289  0.003659251663  0.002675319839
  26  Al  6.003860564637  4.158120093712  1.938330900815  0.269837988859  -0.268911421352  0.346543290597  -0.001752619699  0.003167079144  -0.001802973040
  27  Al  6.019548697973  6.127393500781  0.111908880914  -0.009225875164  -0.232607398820  -0.673665661844  -0.001792375565  0.000887118030  0.001867904153
  28  Al  4.076489404352  4.109987385392  4.138748259075  -0.090400981305  -0.016751445302  -0.207907001654  0.000577501985  0.001976472933  0.001859746366
  29  Al  3.953397807798  6.111099542765  6.246919620839  0.390623002905  -0.071003327706  -0.217318406765  -0.001454822582  0.000893979991  0.004691162425
  30  Al  6.107190214550  3.932131340511  6.099391035209  -0.109981976913  0.569160730406  -0.253582156712  0.000795930467  -0.002448839943  0.000259494747
  31  Al  6.182549039894  6.029876404918  4.024387098265  -0.285986804276  0.182895811070  -0.043287889181  0.002598959840  -0.000848788015  -0.001471779366


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)
  -70.746800320207  -0.185673543727  0.914004278234
  -0.185673543727  -72.310233014578  -1.694576673953
  0.914004278234  -1.694576673953  -63.732875934218
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.986039513664  8.063003079085  8.026357749370  0.355877415859  0.022932725216  -0.058320732270  -0.002378766700  -0.001082466323  -0.002968203462
  1  Al  8.054258009133  1.945844625860  1.904863984729  0.225451586251  0.224777427689  0.077447487874  -0.000476664671  -0.001768848802  -0.003767879845
  2  Al  1.955147365478  7.984262050169  1.971985475158  0.018617958922  0.510411012460  0.249891749437  -0.002018868229  -0.002562344636  -0.000791240796
  3  Al  1.945084054396  1.983951883468  8.059221694050  -0.020303254134  -0.049661952337  -0.014193994795  -0.002618561460  -0.001534711670  -0.002053075521
  4  Al  0.035071906282  8.008749138167  4.213878952141  0.159246384925  0.223624893580  -0.639577026923  0.001942776453  -0.002434459949  0.003137236446
  5  Al  0.016040515169  2.017838927964  6.137135591058  -0.016595018229  -0.081265603569  -0.276946895549  0.000470347048  -0.000586481828  0.001134307356
  6  Al  1.985410383329  8.099752482601  6.053817726802  0.100818718881  0.077023690669  0.167329123956  -0.001309538576  0.000878765557  -0.000133953932
  7  Al  2.012466193470  2.042485894683  4.127348310084  -0.049464803110  -0.132705514832  -0.178687268845  -0.000624353197  0.000008198669  0.002324187659
  8  Al  8.046992997281  4.150744844598  7.950227890835  0.007286524994  -0.280420178593  0.391841880148  -0.001750366072  0.002209840295  -0.003594734294
  9  Al  0.036255629691  6.058517890794  2.022143271144  -0.136891911476  -0.009394214199  0.049170854440  0.000858584454  -0.000589330606  0.000347318656
  10  Al  2.088277909343  3.948866936572  2.024142393121  -0.288013676829  0.344949262959  0.320265092731  0.001140281753  -0.001327766579  0.001243894991
  11  Al  2.042650367516  6.115517037881  0.145497493827  -0.107058406963  -0.097648263733  -0.268479876211  -0.000042430349  0.001148554939  0.004576471059
  12  Al  8.053953417963  4.092258343168  3.962509376713  0.360597679385  -0.226621860694  0.226787589054  -0.000020788695  0.000887232990  -0.001766516878
  13  Al  0.007821397612  6.032902945524  5.974753197956  -0.093950000882  0.025060369388  0.338459845020  -0.000049013412  -0.001265059684  -0.002217360732
  14  Al  1.994012774125  3.989090061635  6.110088191616  -0.032622560997  0.027059574013  -0.282179775365  -0.001434747473  -0.002456764446  0.000115335845
  15  Al  2.118740952144  6.083339547059  3.928350970640  -0.398054519000  -0.191130333561  0.410942020046  0.001431080493  -0.000429445885  -0.003140649508
  16  Al  4.188545318710  0.144740256042  0.011973780945  -0.072876617188  -0.346974458350  0.170853567206  0.004333457799  0.003894778881  0.001370741393
  17  Al  3.908638052671  1.905487870369  2.004116710390  0.386864173726  0.239912256720  0.089565726801  -0.002957027937  -0.003058581062  -0.000560673244
  18  Al  6.162910423076  7.976160744101  1.888057051528  -0.261236077715  0.394016368927  0.350801735455  0.001495496380  -0.003259820837  -0.003352734610
  19  Al  6.104501117940  2.145072737555  7.928204923730  -0.141473306235  -0.554200795090  0.635252874841  0.000027381275  0.001964060419  -0.004106501643
  20  Al  4.081908864030  0.134141166541  4.061254703210  -0.218181215317  -0.416414193760  0.049898453264  0.000223937114  0.002706632094  0.000302271930
  21  Al  4.085792615383  1.990598588633  6.118730197105  -0.026460048453  0.209803655481  0.042472090584  0.001256744056  -0.000339100419  0.001989380565
  22  Al  6.077511607448  0.033121707738  6.100539194531  -0.083399487266  0.087740530606  0.089701412331  -0.000026106389  0.002042476287  0.001313163053
  23  Al  6.175099442392  2.047265480743  4.030919882220  -0.210943884351  0.002677802571  0.129471095618  0.002297220722  0.000700328046  0.000454522056
  24  Al  4.087949568505  4.027230064000  0.135548475261  0.063372877508  -0.002853861570  -0.606183964731  0.001724885548  -0.001031311182  0.002326320796
  25  Al  4.006330248026  6.208562851208  2.145932302808  0.311202736146  -0.169249808262  -0.405674574763  -0.000497306987  0.003628982536  0.002603378313
  26  Al  6.002996316448  4.159691613040  1.937444904656  0.280275792749  -0.279995910342  0.354435126774  -0.001703439923  0.003118007224  -0.001740306074
  27  Al  6.018652097797  6.127826662329  0.112812720378  -0.008456975097  -0.234754143176  -0.690776554423  -0.001793956399  0.000845336244  0.001745924001
  28  Al  4.076774114453  4.110974873075  4.139668838890  -0.093279440994  -0.017775698954  -0.206437400332  0.000561081087  0.001973386231  0.001822704275
  29  Al  3.952687857214  6.111543358937  6.249255487997  0.389036124156  -0.070385477109  -0.217518346835  -0.001385121618  0.000881339933  0.004652288332
  30  Al  6.107583263629  3.930932361819  6.099509447552  -0.111072199211  0.585199366769  -0.262640779360  0.000776168382  -0.002345640982  0.000213344788
  31  Al  6.183835736306  6.029460186287  4.023649273629  -0.288314570057  0.186263331083  -0.036970535179  0.002547617710  -0.000815785453  -0.001478954412


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)
  -70.394475049209  -0.181553405954  0.971645347218
  -0.181553405954  -72.000870764973  -1.678378185112
  0.971645347218  -1.678378185112  -63.351983300201
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.984866037907  8.062462871008  8.024871040724  0.357637903014  0.023018716689  -0.053657889339  -0.002314978944  -0.001078358297  -0.002978214270
  1  Al  8.054029754403  1.944970248929  1.902983506681  0.222587467306  0.229153669569  0.078428494597  -0.000436610302  -0.001728267689  -0.003753944644
  2  Al  1.954138763579  7.983003693039  1.971601024832  0.019478362524  0.526611611089  0.251465485628  -0.002015462446  -0.002469635559  -0.000746419820
  3  Al  1.943773866118  1.983182307762  8.058194521823  -0.017127852331  -0.049311258040  -0.004762102183  -0.002621907774  -0.001543559804  -0.002054770182
  4  Al  0.036050412764  8.007541904144  4.215418981501  0.155610447684  0.230858593323  -0.648199406872  0.001970924427  -0.002393829453  0.003022110159
  5  Al  0.016274946902  2.017542054506  6.137690365310  -0.020863157197  -0.079805590447  -0.280797184669  0.000466998314  -0.000600881477  0.001084445436
  6  Al  1.984760120602  0.000199060567  6.053758229387  0.111346431845  0.069470986412  0.172048540995  -0.001290571164  0.000891862076  -0.000103613812
  7  Al  2.012151805812  2.042484062128  4.128502416657  -0.045617726626  -0.132598499168  -0.186796222185  -0.000632853507  -0.000015519319  0.002291513698
  8  Al  8.046118139950  4.151837230064  7.948448038879  0.005818647348  -0.284554785044  0.398278226291  -0.001749194479  0.002159331939  -0.003524098125
  9  Al  0.036678802899  6.058222805573  2.022319128392  -0.143426945665  -0.010113619289  0.044326930619  0.000833524150  -0.000591074592  0.000355677290
  10  Al  2.088835176111  3.948218472391  2.024778656351  -0.289231907112  0.338067212686  0.320356252523  0.001088676413  -0.001266705398  0.001301166078
  11  Al  2.042624366869  6.116086950508  0.147773728402  -0.101867355800  -0.102617725388  -0.285066946813  -0.000061108162  0.001130651304  0.004526984371
  12  Al  8.053959142202  4.092691829748  3.961636255597  0.359142629969  -0.234539472410  0.226828466333  0.000043555571  0.000846005499  -0.001725963929
  13  Al  0.007792691375  6.032271535871  5.973659646623  -0.097320087690  0.024204295741  0.347050766440  -0.000066112820  -0.001260655459  -0.002156076576
  14  Al  1.993293942172  3.987862888965  6.110133246204  -0.025731756342  0.035419126077  -0.284010749266  -0.001439964307  -0.002451178896  0.000064718819
  15  Al  2.119438699496  6.083116280659  3.926799014846  -0.397729372155  -0.194440632043  0.425730142931  0.001359937985  -0.000463915652  -0.003065851619
  16  Al  4.190708790051  0.146672135849  0.012666788735  -0.074368933316  -0.356857753128  0.166482592918  0.004320294153  0.003831856787  0.001400899003
  17  Al  3.907176831392  1.903969303829  2.003840377324  0.390445060093  0.245189933615  0.092273036214  -0.002887537051  -0.003015213275  -0.000544416989
  18  Al  6.163646494108  7.974548446072  1.886396364934  -0.260800012419  0.409625796636  0.355816916553  0.001448826729  -0.003187975805  -0.003289563411
  19  Al  6.104508484771  2.146029995188  7.926180068484  -0.139502547601  -0.560586668634  0.654421959513  0.000002262236  0.001864399222  -0.003991205641
  20  Al  4.082011079965  0.135475869023  4.061408069618  -0.218492657157  -0.417983734357  0.055245842594  0.000184898784  0.002632037519  0.000311671755
  21  Al  4.086419804657  1.990438416571  6.119726785875  -0.027872565665  0.212890631723  0.038038327147  0.001251886760  -0.000301311854  0.001996578139
  22  Al  6.077494826326  0.034146867852  6.101199785678  -0.090436686353  0.080715708243  0.089419679543  -0.000041647218  0.002057536153  0.001329176349
  23  Al  6.176238623637  2.047615764462  4.031152930559  -0.213935283950  0.004816455574  0.123630971233  0.002259236830  0.000700998027  0.000477149198
  24  Al  4.088814844024  4.026714280842  0.136684539454  0.061547650048  0.000077965369  -0.615579036518  0.001736053353  -0.001031559345  0.002217096063
  25  Al  4.006095505183  6.210369777070  2.147215858457  0.320042360341  -0.170254339871  -0.414072352822  -0.000440874130  0.003598631109  0.002530093528
  26  Al  6.002157124714  4.161238100936  1.936590594741  0.286411307315  -0.292453782643  0.360090290481  -0.001652778504  0.003066830633  -0.001676428016
  27  Al  6.017754741574  6.128238837025  0.113654804915  -0.011985965841  -0.238671968063  -0.708634653252  -0.001795783983  0.000803012291  0.001620817646
  28  Al  4.077050485440  4.111960771623  4.140570963350  -0.092360462590  -0.020486693303  -0.203566421877  0.000544485014  0.001969965600  0.001786050228
  29  Al  3.952012686180  6.111980882698  6.251571909171  0.390629211185  -0.071369756445  -0.215526258520  -0.001315420098  0.000868667117  0.004613574456
  30  Al  6.107966382933  3.929785699530  6.099604379997  -0.116641518384  0.599686304543  -0.269591489039  0.000755810940  -0.002239713055  0.000165763606
  31  Al  6.185096657604  6.029060619464  4.022908143853  -0.295384684477  0.186839270984  -0.029672209199  0.002495435417  -0.000782430349  -0.001484912225


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)
  -70.050401341736  -0.178352524228  1.029574245855
  -0.178352524228  -71.692044056412  -1.659479723113
  1.029574245855  -1.659479723113  -62.973941491049
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.983724534720  8.061924720788  8.023379535100  0.362109363417  0.021664690794  -0.048187156212  -0.002250634056  -0.001074363632  -0.002987319144
  1  Al  8.053821398831  1.944116358171  1.901110040084  0.222747593179  0.231668300461  0.082376714464  -0.000396797668  -0.001687070536  -0.003739568774
  2  Al  1.953131903032  7.981792414609  1.971239055338  0.015956524515  0.541095241555  0.255383110536  -0.002012294592  -0.002374183335  -0.000701107920
  3  Al  1.942462146622  1.982408323665  8.057166923868  -0.018174049626  -0.049855473243  0.005290533654  -0.002625063738  -0.001552425238  -0.002054722941
  4  Al  0.037042830709  8.006355308714  4.216901062300  0.153656621913  0.236900604099  -0.657721690608  0.001998572680  -0.002352012117  0.002905361753
  5  Al  0.016507513483  2.017238046486  6.138220036495  -0.022033668342  -0.079776103809  -0.287308599880  0.000463163369  -0.000615147966  0.001033657188
  6  Al  1.984119812165  0.000648096933  6.053714112989  0.117195946613  0.061023860698  0.174167981998  -0.001270139640  0.000903528222  -0.000072662304
  7  Al  2.011833339963  2.042470375364  4.129639823782  -0.046610227200  -0.133515374985  -0.195491328690  -0.000641098620  -0.000039309708  0.002257337466
  8  Al  8.045243802802  4.152904176538  7.946703792710  0.008044739802  -0.287071015330  0.405286904645  -0.001747955102  0.002108229004  -0.003452259981
  9  Al  0.037089153841  6.057926816202  2.022498948435  -0.147102941364  -0.009262912051  0.041798296427  0.000807550987  -0.000592806840  0.000363376824
  10  Al  2.089366585755  3.947600231175  2.025443559199  -0.294821395661  0.332781441162  0.322293818704  0.001036462468  -0.001206732011  0.001358618532
  11  Al  2.042589259354  6.116647689184  0.150024478198  -0.101033832063  -0.106800367324  -0.299616912046  -0.000079247382  0.001111929477  0.004474714055
  12  Al  8.053996973534  4.093104348667  3.960783412784  0.360915097297  -0.241179394091  0.226121097967  0.000107928213  0.000803476575  -0.001685470564
  13  Al  0.007755284792  6.031642290065  5.972597121379  -0.097898389072  0.025272200975  0.352833118871  -0.000083565211  -0.001256232296  -0.002093507461
  14  Al  1.992572809818  3.986638882740  6.110152910435  -0.023476191291  0.044478265259  -0.288186692390  -0.001444363462  -0.002444036126  0.000013564780
  15  Al  2.120100890129  6.082875631407  3.925285119021  -0.401812971607  -0.196595319598  0.439249368123  0.001288459475  -0.000498873985  -0.002988523073
  16  Al  4.192865612862  0.148572112830  0.013374679948  -0.078008477037  -0.368206582130  0.162987007917  0.004306671722  0.003767036558  0.001430353348
  17  Al  3.905750515620  1.902472657093  2.003572293401  0.390392608046  0.248957173490  0.097151668295  -0.002817730726  -0.002971036880  -0.000527482557
  18  Al  6.164359249806  7.972972768295  1.884767488117  -0.255362547333  0.423723331404  0.363633628122  0.001402682168  -0.003113474993  -0.003225245050
  19  Al  6.104503380176  2.146937136777  7.924213718089  -0.133199120075  -0.568228582067  0.673541494239  -0.000022117097  0.001763483951  -0.003872486664
  20  Al  4.082093762814  0.136773204060  4.061566374964  -0.221005848135  -0.421051678040  0.059683552723  0.000145607934  0.002557028357  0.000321946360
  21  Al  4.087044502143  1.990297276778  6.120726775243  -0.032216309173  0.214366365339  0.031415262654  0.001246514858  -0.000263115386  0.002002787240
  22  Al  6.077469960230  0.035179243891  6.101868370880  -0.092638636102  0.072263377420  0.086390131471  -0.000058014020  0.002071212374  0.001344893620
  23  Al  6.177358679222  2.047966478770  4.031397031418  -0.211787680945  0.004845021899  0.116920627339  0.002221177503  0.000701861756  0.000498654338
  24  Al  4.089685621858  4.026198504654  0.137765571324  0.056478299859  0.004401842760  -0.623253614189  0.001746604788  -0.001031158854  0.002106345316
  25  Al  4.005889373897  6.212161482317  2.148462396336  0.325346425779  -0.170141309844  -0.420195099414  -0.000383176837  0.003568199983  0.002455510618
  26  Al  6.001343537945  4.162758443674  1.935768476640  0.296524035069  -0.303020468167  0.367920592554  -0.001600664504  0.003013595664  -0.001611344367
  27  Al  6.016856313814  6.128629674620  0.114433538024  -0.011208805970  -0.240655470038  -0.724766242048  -0.001797857579  0.000760160763  0.001492672638
  28  Al  4.077318599467  4.112944838675  4.141454889118  -0.094761958195  -0.021555951442  -0.201847302078  0.000527756404  0.001966207018  0.001749806533
  29  Al  3.951372437116  6.112412026054  6.253869062452  0.388792166554  -0.070805118556  -0.215736860213  -0.001245740387  0.000855956786  0.004575019843
  30  Al  6.108339074569  3.928692648764  6.099675211158  -0.117615997054  0.614529162205  -0.278564253564  0.000734868487  -0.002131163066  0.000116758877
  31  Al  6.186331171723  6.028677755938  4.022164361404  -0.297390375797  0.189750241192  -0.023569159372  0.002442441753  -0.000748763518  -0.001489671965


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)
  -69.706434158980  -0.174096933100  1.090225579985
  -0.174096933100  -71.384119722907  -1.636378007717
  1.090225579985  -1.636378007717  -62.605877483004
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.982615403850  8.061388507376  8.021883721580  0.365454189802  0.021208876577  -0.043013731507  -0.002185590398  -0.001070530766  -0.002995472438
  1  Al  8.053632956735  1.943283178393  1.899243937907  0.221400865016  0.235250215653  0.084362296559  -0.000357091115  -0.001645328357  -0.003724662427
  2  Al  1.952126468987  7.980629509704  1.970899916911  0.015546205455  0.556178287376  0.257643216670  -0.002009478271  -0.002276087871  -0.000655243736
  3  Al  1.941148802380  1.981629882524  8.056139798883  -0.016064610090  -0.049982239744  0.014997658814  -0.002628124650  -0.001561350658  -0.002052909191
  4  Al  0.038048985444  8.005189892027  4.218324343254  0.151206795418  0.243508198822  -0.666225264963  0.002025827250  -0.002309063916  0.002787001848
  5  Al  0.016738110271  2.016926906540  6.138724022498  -0.024739652675  -0.078737435179  -0.291917789914  0.000458981868  -0.000629318962  0.000981874766
  6  Al  1.983489980962  0.001102588789  6.053685567083  0.126209046502  0.053199332091  0.177900895803  -0.001248379409  0.000913739693  -0.000041187600
  7  Al  2.011510707192  2.042444752420  4.130759754122  -0.044244270674  -0.133916763079  -0.203602211880  -0.000649220946  -0.000063217949  0.002221658791
  8  Al  8.044370184848  4.153945459069  7.944995778898  0.008589486417  -0.290560969115  0.411689315327  -0.001746468014  0.002056589121  -0.003379222895
  9  Al  0.037486353886  6.057629998733  2.022682505216  -0.151790715086  -0.009278162944  0.037696011274  0.000780830110  -0.000594464399  0.000370483558
  10  Al  2.089871638579  3.947011740380  2.026137274883  -0.297100387262  0.326330515283  0.322646306791  0.000983545086  -0.001147807876  0.001416275715
  11  Al  2.042545119487  6.117198879985  0.152248442457  -0.097261142851  -0.111172361286  -0.315155646608  -0.000096974810  0.001092442872  0.004419753831
  12  Al  8.054067070415  4.093495306323  3.959950785034  0.360833748365  -0.248373450252  0.225905108119  0.000172452041  0.000759710903  -0.001645059746
  13  Al  0.007709126164  6.031015303576  5.971566139163  -0.099583425374  0.025221483135  0.360167334651  -0.000101219943  -0.001251718197  -0.002029765733
  14  Al  1.991849578709  3.985418852839  6.110146810984  -0.018296383020  0.052965686401  -0.290695454639  -0.001448097900  -0.002435324707  -0.000038186867
  15  Al  2.120727158971  6.082617406675  3.923810491774  -0.402826723401  -0.199149612706  0.453008431221  0.001216525266  -0.000534253297  -0.002908755868
  16  Al  4.195015461772  0.150439172407  0.014097142083  -0.081300630828  -0.378351365016  0.158765919618  0.004292429602  0.003700294814  0.001459117828
  17  Al  3.904359100666  1.900998266950  2.003312894767  0.391825232145  0.253658087900  0.100527046277  -0.002747801014  -0.002926103437  -0.000509810222
  18  Al  6.165049176276  7.971434971079  1.883171119884  -0.252984692646  0.438473083749  0.369329600054  0.001357236291  -0.003036395254  -0.003159718665
  19  Al  6.104486367675  2.147793479139  7.922307581819  -0.129585953565  -0.574646679271  0.692162922391  -0.000045609893  0.001661311725  -0.003750393672
  20  Al  4.082156687899  0.138032897380  4.061730015978  -0.222778874434  -0.422900156442  0.064621316755  0.000105933899  0.002481579671  0.000333059126
  21  Al  4.087666319514  1.990175301185  6.121729573114  -0.035599945529  0.216480289052  0.026239135400  0.001240452133  -0.000224598005  0.002007941501
  22  Al  6.077436812307  0.036218080225  6.102544679298  -0.097962827575  0.064705270216  0.084952603192  -0.000075053653  0.002083457272  0.001360211537
  23  Al  6.178459801140  2.048317626219  4.031651584897  -0.212881203081  0.006221399871  0.110739648127  0.002183212410  0.000702851086  0.000519007003
  24  Al  4.090561448812  4.025683121988  0.138790884770  0.052665897482  0.007614858154  -0.631302393445  0.001756362201  -0.001030084569  0.001994188912
  25  Al  4.005712328346  6.213937977053  2.149671369075  0.331724972332  -0.170477174785  -0.427530904487  -0.000324435127  0.003537748936  0.002379724523
  26  Al  6.000556460211  4.164251696600  1.934979250375  0.303669862750  -0.314612195375  0.374142522491  -0.001547007601  0.002958379748  -0.001545004458
  27  Al  6.015956883995  6.128998997788  0.115147477553  -0.013139206190  -0.243596435097  -0.741364388935  -0.001800034274  0.000716868991  0.001361601614
  28  Al  4.077578241844  4.113926978641  4.142320769883  -0.095642880668  -0.023833908484  -0.199537588141  0.000510734348  0.001962149197  0.001713923013
  29  Al  3.950766945793  6.112836839484  6.256146929014  0.388301137813  -0.070923121906  -0.214540190838  -0.001176268805  0.000843286383  0.004536553384
  30  Al  6.108701251419  3.927654536463  6.099721138875  -0.121274019104  0.628510389899  -0.285923272622  0.000713511891  -0.002020036225  0.000066294099
  31  Al  6.187539099357  6.028311855946  4.021418471888  -0.302369895444  0.190986056505  -0.016688451555  0.002388823617  -0.000714725967  -0.001493270967


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)
  -69.371429628602  -0.171396254868  1.150907286401
  -0.171396254868  -71.076863333530  -1.610420432699
  1.150907286401  -1.610420432699  -62.241556192962
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.981538944322  8.060854190022  8.020384062663  0.371392786336  0.018994428249  -0.037029574401  -0.002119716809  -0.001066936620  -0.003002628252
  1  Al  8.053464307716  1.942471029815  1.897385377658  0.222914853034  0.237377209638  0.089887572310  -0.000317369610  -0.001603075805  -0.003709084614
  2  Al  1.951122424762  7.979516326738  1.970583811602  0.010665235417  0.569306577392  0.262533907868  -0.002007134987  -0.002175470334  -0.000608740275
  3  Al  1.939834021972  1.980846973007  8.055114014677  -0.018176106034  -0.050514886281  0.025521347057  -0.002631185745  -0.001570335028  -0.002049286821
  4  Al  0.039068657959  8.004046244798  4.219688064148  0.149988476732  0.248706604104  -0.675867101378  0.002052753891  -0.002265060267  0.002667019756
  5  Al  0.016966495351  2.016608727524  6.139201911261  -0.024784888866  -0.078643095113  -0.299614527620  0.000454554410  -0.000643388668  0.000928992202
  6  Al  1.982871432756  0.001561836626  6.053672925389  0.130517671893  0.043907218712  0.178853860416  -0.001225428225  0.000922420949  -0.000009293982
  7  Al  2.011184119016  2.042407157415  4.131861482572  -0.046862439274  -0.134551685881  -0.212640258455  -0.000657365821  -0.000087218835  0.002184447013
  8  Al  8.043497334787  4.154960765658  7.943324569815  0.012671519502  -0.292126694326  0.418689662670  -0.001744567296  0.002004497263  -0.003304987612
  9  Al  0.037869983950  6.057332351803  2.022869431993  -0.154038737594  -0.008160955110  0.036301997598  0.000753489177  -0.000596023444  0.000377098926
  10  Al  2.090350130842  3.946452423299  2.026859834914  -0.303772820580  0.321649915600  0.325238458686  0.000929827454  -0.001089878892  0.001474196147
  11  Al  2.042492284543  6.117740132056  0.154444232029  -0.097783408221  -0.115382897424  -0.328876961390  -0.000114411653  0.001072188995  0.004362177779
  12  Al  8.054169425575  4.093864059570  3.959138353037  0.364069961440  -0.254237858093  0.224804477460  0.000237257911  0.000714777814  -0.001604766634
  13  Al  0.007654064849  6.030390571869  5.970567355646  -0.098531454762  0.026680495365  0.364472945370  -0.000118931271  -0.001247078197  -0.001964983414
  14  Al  1.991124711917  3.984203558032  6.110114723568  -0.017655624438  0.062721803735  -0.295880146287  -0.001451311984  -0.002424982329  -0.000090626304
  15  Al  2.121317415395  6.082341378110  3.922376363154  -0.408088101697  -0.201176440018  0.465637588925  0.001144030064  -0.000570042158  -0.002826629575
  16  Al  4.197158042465  0.152272407644  0.014833797776  -0.086552479560  -0.390198801203  0.155486181602  0.004277423655  0.003631586983  0.001487211740
  17  Al  3.903002714606  1.899546553657  2.003062483179  0.389787104300  0.257403589738  0.106366560995  -0.002677925433  -0.002880414891  -0.000491314083
  18  Al  6.165716486096  7.969936373041  1.881607769452  -0.245537171304  0.451364612458  0.378394087930  0.001312668795  -0.002956844404  -0.003092872705
  19  Al  6.104457770283  2.148598448502  7.920463324417  -0.121644627476  -0.581719502861  0.710624751519  -0.000068069726  0.001557933420  -0.003624985464
  20  Al  4.082199696713  0.139254783731  4.061899434090  -0.226314216664  -0.426674865172  0.068640846224  0.000065785300  0.002405628275  0.000344972667
  21  Al  4.088284954276  1.990072678773  6.122734716745  -0.041497327208  0.217527537672  0.018472437680  0.001233559692  -0.000185798018  0.002011938684
  22  Al  6.077394906577  0.037262701163  6.103228582417  -0.098463002389  0.055539082388  0.080256945939  -0.000092613981  0.002094207031  0.001374981152
  23  Al  6.179541891632  2.048669329856  4.031916038421  -0.208687713749  0.005756523311  0.103682229580  0.002145524453  0.000703921904  0.000538176164
  24  Al  4.091441984059  4.025168420085  0.139759760236  0.045784710770  0.012710203839  -0.637576526109  0.001765163614  -0.001028267523  0.001880752049
  25  Al  4.005564938770  6.215699231253  2.150842120859  0.334950751089  -0.170267837763  -0.432222994170  -0.000264834797  0.003507286577  0.002302863143
  26  Al  5.999796530344  4.165716823422  1.934223472182  0.314755017006  -0.323929732339  0.382643513093  -0.001491720862  0.002901294559  -0.001477348331
  27  Al  6.015056279540  6.129346543611  0.115795139639  -0.010845152590  -0.245286872574  -0.755988589336  -0.001802178459  0.000673163175  0.001227739336
  28  Al  4.077829333815  4.114906987872  4.143168812131  -0.099813231108  -0.024130904446  -0.198340942702  0.000493260713  0.001957861178  0.001678352958
  29  Al  3.950196168311  6.113255312437  6.258405615837  0.384442163201  -0.070122850012  -0.215917598077  -0.001107186110  0.000830676975  0.004498070768
  30  Al  6.109052586460  3.926672612539  6.099741505257  -0.120451442216  0.643065734535  -0.295444873419  0.000691901809  -0.001906358234  0.000014320205
  31  Al  6.188719995340  6.027963029971  4.020671090437  -0.302440304990  0.194414341879  -0.011109279578  0.002334754020  -0.000680271449  -0.001495756064


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)
  -69.037800874671  -0.166869036501  1.216012437497
  -0.166869036501  -70.771637277531  -1.580815772538
  1.216012437497  -1.580815772538  -61.891341722969
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.980495687042  8.060321570756  8.018881093328  0.372395177769  0.019476117683  -0.031532586997  -0.002053222700  -0.001063497381  -0.003008757659
  1  Al  8.053315587125  1.941680102588  1.895534853293  0.219281081057  0.240888901522  0.090119840885  -0.000277837612  -0.001560319159  -0.003692992081
  2  Al  1.950119334000  7.978454039370  1.970291176636  0.010303775359  0.584416543734  0.262939166496  -0.002005260372  -0.002072328318  -0.000561763361
  3  Al  1.938517616634  1.980059547496  8.054090512062  -0.015921722774  -0.050427196602  0.035008598097  -0.002634234066  -0.001579359178  -0.002043875487
  4  Al  0.040101739335  8.002924831760  4.220991363010  0.144963615858  0.255717164462  -0.683449588173  0.002079122396  -0.002219965145  0.002545497823
  5  Al  0.017192664680  2.016283517872  6.139653014700  -0.029857294368  -0.077515063736  -0.302388306839  0.000449669438  -0.000657349095  0.000875173582
  6  Al  1.982264552737  0.002025009737  6.053676273101  0.139243118823  0.037207309624  0.184141001722  -0.001201311804  0.000929672529  0.000023157498
  7  Al  2.010853341372  2.042357533586  4.132944201136  -0.044284957521  -0.134790785524  -0.220140592875  -0.000665514332  -0.000111297858  0.002145756717
  8  Al  8.042625617552  4.155949956331  7.941690791286  0.011438286440  -0.296538252922  0.424925640594  -0.001742411896  0.001951871040  -0.003229569011
  9  Al  0.038239843063  6.057033975290  2.023059604142  -0.160788770546  -0.008052330215  0.030690069691  0.000725343824  -0.000597472900  0.000383087969
  10  Al  2.090801466033  3.945921861488  2.027611471029  -0.305469144724  0.314288011855  0.323398551581  0.000875361661  -0.001033026499  0.001532183829
  11  Al  2.042430707834  6.118271068980  0.156610620236  -0.093873660301  -0.119822457611  -0.344156241152  -0.000131545657  0.001051161805  0.004302009095
  12  Al  8.054304328326  4.094210084136  3.958346018400  0.361228433809  -0.261873125832  0.224467187285  0.000302099065  0.000668637863  -0.001564602070
  13  Al  0.007590194893  6.029768225379  5.969601155749  -0.102193711904  0.026794709745  0.372816358734  -0.000136875957  -0.001242297552  -0.001899070280
  14  Al  1.990398266725  3.982993870510  6.110056184680  -0.012389837105  0.070022700805  -0.296331413509  -0.001453998027  -0.002413115066  -0.000143569591
  15  Al  2.121871189035  6.082047364517  3.920983862199  -0.408700899212  -0.203615242142  0.478368588510  0.001071009715  -0.000606230243  -0.002742236102
  16  Al  4.199292885427  0.154070759389  0.015584353822  -0.087966289724  -0.399143017726  0.151143037335  0.004261821803  0.003561020392  0.001514624171
  17  Al  3.901681175233  1.898117852059  2.002821580684  0.392926256873  0.262030957041  0.108020340136  -0.002607951422  -0.002833977816  -0.000472148048
  18  Al  6.166361845071  7.968478126675  1.880078247179  -0.242984284018  0.466256341409  0.382219253691  0.001268995328  -0.002874809752  -0.003024874420
  19  Al  6.104418297948  2.149351412560  7.918682596356  -0.117777998786  -0.587606273196  0.728283485906  -0.000089473937  0.001453396538  -0.003496348103
  20  Al  4.082222473199  0.140438525655  4.062074988645  -0.225512559230  -0.427211659731  0.073446052707  0.000025392311  0.002329291434  0.000357675134
  21  Al  4.088899879207  1.989989503167  6.123741511798  -0.042785186358  0.219626044915  0.014801921485  0.001226024896  -0.000146716802  0.002014913387
  22  Al  6.077344198325  0.038312287256  6.103919660450  -0.103503464307  0.049225414474  0.079977681814  -0.000110669638  0.002103572901  0.001389306012
  23  Al  6.180605325593  2.049021548123  4.032189761062  -0.209867090973  0.007074550455  0.097888197108  0.002108105954  0.000705068993  0.000556196416
  24  Al  4.092326612426  4.024654854465  0.140671636820  0.043538694533  0.014857959635  -0.645267840339  0.001773149062  -0.001025802949  0.001766066686
  25  Al  4.005447493549  6.217445263630  2.151974232218  0.343066227696  -0.170330575304  -0.440732468525  -0.000204220567  0.003476837324  0.002224821553
  26  Al  5.999064739349  4.167152991159  1.933501902043  0.321792110943  -0.335702534382  0.387153436077  -0.001434814007  0.002842323909  -0.001408529038
  27  Al  6.014154705536  6.129672160963  0.116375216889  -0.012446872721  -0.247752806087  -0.771449317653  -0.001804260749  0.000629085782  0.001091187486
  28  Al  4.078071502556  4.115884839818  4.143999122841  -0.098418969621  -0.027419904310  -0.195724386869  0.000475538896  0.001953252572  0.001643123801
  29  Al  3.949659759682  6.113667516459  6.260644999782  0.385558934967  -0.070349524718  -0.213053688794  -0.001038348566  0.000818118846  0.004459721044
  30  Al  6.109393153228  3.925748178229  6.099735459080  -0.123953806021  0.654875827979  -0.300958741405  0.000670052156  -0.001790323193  -0.000038997849
  31  Al  6.189873853377  6.027631584498  4.019922715824  -0.307039193914  0.195392194700  -0.004623236724  0.002280266991  -0.000645423025  -0.001497162539


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)
  -68.711644786366  -0.163775894495  1.280823759720
  -0.163775894495  -70.469543062484  -1.547386717871
  1.280823759720  -1.547386717871  -61.544833786140
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.979485721622  8.059790692641  8.017375305003  0.377150075915  0.017723154252  -0.026154507252  -0.001986213894  -0.001060171792  -0.003013914844
  1  Al  8.053186470104  1.940910710656  1.893692385577  0.219465451071  0.243837095019  0.094824539556  -0.000238613988  -0.001516985004  -0.003676458186
  2  Al  1.949117164389  7.977443998420  1.970022048242  0.008483473816  0.596871297253  0.267369067451  -0.002003580806  -0.001966722035  -0.000514354186
  3  Al  1.937199787906  1.979267613829  8.053070139190  -0.014951581827  -0.050315347867  0.044544935441  -0.002636994118  -0.001588365489  -0.002036763459
  4  Al  0.041147780355  8.001826279653  4.222233561971  0.143093236028  0.260754357262  -0.691314341344  0.002104874471  -0.002173792962  0.002422594917
  5  Al  0.017416164789  2.015951378429  6.140077084843  -0.031140674813  -0.076715946589  -0.309413715932  0.000444216263  -0.000671137237  0.000820478921
  6  Al  1.981670120952  0.002491509155  6.053696082887  0.146240119315  0.028497382305  0.185218828729  -0.001175789808  0.000935546481  0.000056178001
  7  Al  2.010518604684  2.042295859557  4.134007239289  -0.043833540968  -0.135183194756  -0.227876989103  -0.000673392063  -0.000135433337  0.002105704267
  8  Al  8.041754922891  4.156912636698  7.940095000804  0.014413247234  -0.298617438218  0.430875187748  -0.001740100788  0.001898664550  -0.003153061033
  9  Al  0.038595327774  6.056734878904  2.023252519962  -0.163545361910  -0.007614564257  0.029030299276  0.000696348586  -0.000598873509  0.000388426927
  10  Al  2.091225492503  3.945419396800  2.028392018743  -0.308901368167  0.309286087619  0.325046231955  0.000820437379  -0.000977279423  0.001590154326
  11  Al  2.042360738887  6.118791293862  0.158746241124  -0.091542017541  -0.124340989779  -0.358247581820  -0.000148121685  0.001029333769  0.004239214699
  12  Al  8.054471524640  4.094532697433  3.957573750967  0.362667312567  -0.267559564756  0.224154307038  0.000366814824  0.000621306961  -0.001524495631
  13  Al  0.007517188892  6.029148274316  5.968668285366  -0.102003396473  0.027704639243  0.377073563124  -0.000155131031  -0.001237425350  -0.001832030661
  14  Al  1.989670713891  3.981790442967  6.109971153977  -0.009089713939  0.079235942825  -0.300645946558  -0.001455918283  -0.002399771450  -0.000196938938
  15  Al  2.122388425110  6.081735147868  3.919634127052  -0.411040425719  -0.205682877156  0.490803965223  0.000997725430  -0.000642821200  -0.002655592773
  16  Al  4.201419864267  0.155833428036  0.016348421947  -0.092990484786  -0.410196855534  0.146824764896  0.004245644397  0.003488665990  0.001541262278
  17  Al  3.900394763184  1.896712575841  2.002590335131  0.391889145213  0.266262581975  0.113357722874  -0.002537789490  -0.002786748754  -0.000452357008
  18  Al  6.166985481425  7.967061563290  1.878582895032  -0.238281200035  0.478851115635  0.390209093150  0.001225970540  -0.002790317825  -0.002955819882
  19  Al  6.104368296346  2.150051845039  7.916966976314  -0.112268723931  -0.593230333912  0.745021083692  -0.000110039948  0.001347830595  -0.003364635735
  20  Al  4.082225089024  0.141584075165  4.062257109224  -0.228196154335  -0.430076080190  0.078190311915  -0.000015168921  0.002252650527  0.000371231316
  21  Al  4.089510979173  1.989925961971  6.124749630132  -0.047920887906  0.220947918735  0.007370210174  0.001217915839  -0.000107329807  0.002016895560
  22  Al  6.077284236939  0.039366274065  6.104617888429  -0.106664948361  0.040733711191  0.075343194644  -0.000129458543  0.002111615182  0.001403191587
  23  Al  6.181649997587  2.049374398849  4.032472234837  -0.208552165467  0.007368623148  0.092018652962  0.002070699574  0.000706360202  0.000573173951
  24  Al  4.093215133121  4.024142617136  0.141525826923  0.037306461416  0.019261209316  -0.651745496924  0.001780376561  -0.001022752720  0.001650114627
  25  Al  4.005360718203  6.219176068577  2.153066942412  0.346601549315  -0.170318096657  -0.445253095452  -0.000142564764  0.003446383578  0.002145615081
  26  Al  5.998361716337  4.168559147331  1.932814943144  0.330022344763  -0.345082048146  0.394887678783  -0.001376542263  0.002781462258  -0.001338615125
  27  Al  6.013252018791  6.129975629393  0.116886327125  -0.012636375318  -0.249870628437  -0.785951080865  -0.001806503173  0.000584598606  0.000951957011
  28  Al  4.078304872712  4.116860240445  4.144811935932  -0.101377897773  -0.028331233678  -0.193713324116  0.000457677200  0.001948268461  0.001608308350
  29  Al  3.949157819745  6.114073431283  6.262865336880  0.382509683981  -0.069952010462  -0.213982012830  -0.000969683784  0.000805575989  0.004421544359
  30  Al  6.109722638615  3.924882289346  6.099702507408  -0.125476439603  0.668091383204  -0.309577796617  0.000647753271  -0.001672050876  -0.000093579376
  31  Al  6.191000262331  6.027317606946  4.019173927897  -0.309428741761  0.197660711412  0.001712250182  0.002225155202  -0.000610284378  -0.001497422780


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)
  -68.389435245588  -0.159764189374  1.348701169499
  -0.159764189374  -70.168646764977  -1.510801254546
  1.348701169499  -1.510801254546  -61.210696422631
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.978509473148  8.059261398963  8.015867178484  0.379561600851  0.017603477542  -0.021290319550  -0.001918564415  -0.001057013617  -0.003018156377
  1  Al  8.053076973137  1.940163117584  1.891858395107  0.217202122018  0.246847952117  0.096326062931  -0.000199576221  -0.001473118114  -0.003659369460
  2  Al  1.948115753195  7.976487317335  1.969776822450  0.008252944576  0.610668564197  0.268626106648  -0.002002084582  -0.001858768840  -0.000466436603
  3  Al  1.935880622517  1.978471182007  8.052053748603  -0.012387737849  -0.050397969456  0.053302810160  -0.002639438233  -0.001597369187  -0.002028015941
  4  Al  0.042206613806  8.000751038798  4.223413957927  0.139192668690  0.267210657436  -0.697763575440  0.002130110628  -0.002126593270  0.002298412351
  5  Al  0.017636880943  2.015612380635  6.140473493622  -0.034874235002  -0.075703864231  -0.313322507834  0.000438314578  -0.000684763458  0.000764806751
  6  Al  1.981088762929  0.002960556219  6.053732451102  0.154770693866  0.021376751601  0.189368944951  -0.001148879658  0.000940005193  0.000089665878
  7  Al  2.010179949309  2.042222100248  4.135049905403  -0.041580597485  -0.135555401971  -0.234408541072  -0.000681028025  -0.000159637173  0.002064376274
  8  Al  8.040885516764  4.157848620881  7.938537730254  0.015009794835  -0.302370363018  0.436074869929  -0.001737470389  0.001844936673  -0.003075556321
  9  Al  0.038936191648  6.056435101781  2.023448031069  -0.168471003836  -0.007132967739  0.024430725884  0.000666666562  -0.000600191927  0.000393206304
  10  Al  2.091621903412  3.944944582065  2.029201625355  -0.310401218794  0.302462426962  0.323665616493  0.000765072173  -0.000922589546  0.001648148698
  11  Al  2.042282586149  6.119300402749  0.160849834935  -0.087627740588  -0.128440946242  -0.373459670381  -0.000164139332  0.001006735246  0.004173800597
  12  Al  8.054671143150  4.094831391097  3.956821522768  0.361312129737  -0.274588278520  0.224590797423  0.000431538065  0.000572839334  -0.001484378142
  13  Al  0.007435063862  6.028530800029  5.967769125088  -0.103867140022  0.028376446823  0.384110488647  -0.000173535709  -0.001232411741  -0.001763981355
  14  Al  1.988942348442  3.980594099060  6.109859245742  -0.004241146870  0.086817367590  -0.301989286210  -0.001457110052  -0.002384926404  -0.000250814094
  15  Al  2.122868914466  6.081404543317  3.918328269426  -0.411550865380  -0.207609309759  0.503555969407  0.000924186361  -0.000679769224  -0.002566697710
  16  Al  4.203538529824  0.157559425379  0.017125616101  -0.096327299487  -0.419358958316  0.141515797616  0.004228719523  0.003414504297  0.001567039717
  17  Al  3.899143385743  1.895331103305  2.002369223676  0.393142229617  0.270663974215  0.115813758737  -0.002467608250  -0.002738747906  -0.000431869243
  18  Al  6.167587815611  7.965687808850  1.877122427297  -0.235118850245  0.492767686214  0.394862510799  0.001183648916  -0.002703455803  -0.002885635045
  19  Al  6.104308258000  2.150699243154  7.915317960621  -0.108144970426  -0.598575222954  0.760796808733  -0.000129744774  0.001241284036  -0.003230016699
  20  Al  4.082207304278  0.142691176183  4.062446219960  -0.228795636422  -0.430983702635  0.083710684864  -0.000056023658  0.002175672402  0.000385705148
  21  Al  4.090117795045  1.989882173360  6.125758407358  -0.050962642108  0.222256675162  0.002813639727  0.001209075722  -0.000067707635  0.002017805989
  22  Al  6.077214739782  0.040423902438  6.105322852037  -0.111337720580  0.034047294276  0.073678613900  -0.000148947825  0.002118300550  0.001416514029
  23  Al  6.182676025167  2.049727908325  4.032762935013  -0.209020340287  0.008053611386  0.086933858978  0.002033368892  0.000707738939  0.000589172177
  24  Al  4.094106988987  4.023632101745  0.142321751447  0.033228752816  0.021783551495  -0.658941497313  0.001786682359  -0.001019083348  0.001532940153
  25  Al  4.005304928785  6.220891647208  2.154119847300  0.352291426522  -0.170070175516  -0.452346568655  -0.000080084235  0.003415953111  0.002065370317
  26  Al  5.997688197085  4.169934453417  1.932163286918  0.336648198624  -0.355932552033  0.399716196933  -0.001316942397  0.002718792057  -0.001267578111
  27  Al  6.012348202363  6.130256759569  0.117327173900  -0.014038619069  -0.251803312979  -0.800933120477  -0.001808887898  0.000539749316  0.000810090706
  28  Al  4.078529179756  4.117833108279  4.145607431191  -0.101821362018  -0.031134284024  -0.190627962139  0.000439511333  0.001942952286  0.001573948516
  29  Al  3.948690075898  6.114473092448  6.265066544141  0.381620872587  -0.069569519851  -0.212245341843  -0.000901371063  0.000793102865  0.004383439940
  30  Al  6.110040906499  3.924076127352  6.099641879704  -0.128368391126  0.679167790295  -0.315324420347  0.000625059726  -0.001551606876  -0.000149445185
  31  Al  6.192099008579  6.027021300120  4.018425293045  -0.313295917144  0.199122601933  0.008758548500  0.002169484065  -0.000574812235  -0.001496486698


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)
  -68.076759196475  -0.156103313973  1.415213898055
  -0.156103313973  -69.871938981154  -1.470396425246
  1.415213898055  -1.470396425246  -60.882295154641
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.977567157207  8.058733679024  8.014357148626  0.385075407968  0.015360501985  -0.014281628405  -0.001850206416  -0.001054066661  -0.003021336484
  1  Al  8.052986893883  1.939437592542  1.890033016118  0.218029101041  0.249017822910  0.101352939022  -0.000160666863  -0.001428788070  -0.003641697099
  2  Al  1.947115079807  7.975585229580  1.969555611638  0.004823196129  0.621794337499  0.273043002618  -0.002000915584  -0.001748587544  -0.000418011775
  3  Al  1.934560349673  1.977670244642  8.051042123250  -0.013025391279  -0.051028488038  0.064174213870  -0.002641710149  -0.001606436639  -0.002017513579
  4  Al  0.043277890983  7.999699686383  4.224531974322  0.137694473329  0.271323124222  -0.706476926983  0.002154864139  -0.002078448738  0.002172874260
  5  Al  0.017854479367  2.015266614971  6.140841891594  -0.035816278423  -0.075251433635  -0.320228054146  0.000431994897  -0.000698258753  0.000708167787
  6  Al  1.980521241294  0.003431514348  6.053785748765  0.159753923964  0.012269886730  0.190109408670  -0.001120761384  0.000943013178  0.000123590970
  7  Al  2.009837576659  2.042136222384  4.136071615562  -0.042829240084  -0.136331780010  -0.243338779476  -0.000688574204  -0.000183943692  0.002021666007
  8  Al  8.040017452502  4.158757573371  7.937019444483  0.018850009318  -0.303769573580  0.442988659182  -0.001734443347  0.001790748199  -0.002996968675
  9  Al  0.039261994336  6.056134686976  2.023645726266  -0.170534028533  -0.005964726682  0.022944985269  0.000636359756  -0.000601362852  0.000397441659
  10  Al  2.091990564676  3.944496807254  2.030040167441  -0.315178077788  0.297833154687  0.325190321180  0.000709145835  -0.000868923553  0.001706155952
  11  Al  2.042196599554  6.119798029108  0.162920041721  -0.087313228224  -0.132045555583  -0.385469832126  -0.000179778929  0.000983447940  0.004105952846
  12  Al  8.054903062705  4.095105536767  3.956089372825  0.362810283683  -0.279336343517  0.222879164683  0.000496274088  0.000523318872  -0.001444374649
  13  Al  0.007343653183  6.027915862576  5.966904304011  -0.102992935117  0.029945654303  0.387486893643  -0.000192028851  -0.001227197787  -0.001695001104
  14  Al  1.988213603838  3.979405516563  6.109720339883  -0.002945388661  0.096283263580  -0.306389350962  -0.001457752523  -0.002368557339  -0.000305202706
  15  Al  2.123312611471  6.081055378643  3.917067429342  -0.415310528699  -0.208861522019  0.513646173621  0.000850265547  -0.000717001417  -0.002475760571
  16  Al  4.205648583790  0.159247932333  0.017915461665  -0.102224980973  -0.430574081704  0.138662211604  0.004210969092  0.003338520895  0.001592087430
  17  Al  3.897927154934  1.893973827934  2.002158465888  0.390808699285  0.274221514453  0.121307699674  -0.002397523601  -0.002690035536  -0.000410670755
  18  Al  6.168169130341  7.964358107486  1.875697259987  -0.228274294523  0.504009405726  0.402842904603  0.001142221903  -0.002614344649  -0.002814320755
  19  Al  6.104238551572  2.151293129075  7.913736959615  -0.100504905070  -0.603963298945  0.777661200328  -0.000148397923  0.001133777957  -0.003092479660
  20  Al  4.082169065366  0.143759747567  4.062642814372  -0.232013492354  -0.434305026100  0.086735031145  -0.000097219663  0.002098316213  0.000400942872
  21  Al  4.090720054895  1.989858254336  6.126767436121  -0.056821646939  0.222784274845  -0.004869461997  0.001199439884  -0.000027921295  0.002017622200
  22  Al  6.077135289114  0.041484574615  6.106034402459  -0.112384152510  0.025143470823  0.068546608617  -0.000168948399  0.002123592162  0.001429228862
  23  Al  6.183683366479  2.050082137788  4.033061407014  -0.205713984250  0.008056241607  0.079827368365  0.001996291942  0.000709179148  0.000604080511
  24  Al  4.095001815480  4.023123533787  0.143058767076  0.026198271638  0.026463192975  -0.663050223390  0.001791995092  -0.001014770124  0.001414755045
  25  Al  4.005280633968  6.222592021688  2.155132312730  0.354507850142  -0.169370911602  -0.456108663568  -0.000016896888  0.003385607322  0.001984155073
  26  Al  5.997044773941  4.171277939388  1.931547365033  0.346208864576  -0.364021114316  0.407693198544  -0.001255895467  0.002654428717  -0.001195396292
  27  Al  6.011443130892  6.130515378709  0.117696417831  -0.012046531300  -0.252958080614  -0.812592547111  -0.001811219892  0.000494624011  0.000665842672
  28  Al  4.078744384045  4.118803192731  4.146385884448  -0.105232413180  -0.031461586216  -0.190200570822  0.000421000874  0.001937356261  0.001539902719
  29  Al  3.948256448682  6.114866534148  6.267248776821  0.377464474378  -0.068493595622  -0.213581811795  -0.000833509379  0.000780760122  0.004345371299
  30  Al  6.110347698341  3.923330682470  6.099553062223  -0.127610479229  0.691646950186  -0.323886416657  0.000602175399  -0.001429057024  -0.000206590173
  31  Al  6.193169746397  6.026742794711  4.017677441200  -0.313452578312  0.201584321653  0.013382282800  0.002113453201  -0.000538989325  -0.001494507323


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)
  -67.768322370997  -0.151609258955  1.486087366566
  -0.151609258955  -69.577750246188  -1.426565724723
  1.486087366566  -1.426565724723  -60.567399727163
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.976659266732  8.058207332303  8.012845842000  0.387054479515  0.014713740925  -0.008975444215  -0.001781178560  -0.001051378045  -0.003023415650
  1  Al  8.052916306274  1.938734329514  1.888216698008  0.215167759226  0.252120675292  0.103801107785  -0.000121939375  -0.001383986649  -0.003623356475
  2  Al  1.946114837610  7.974738729792  1.969358810675  0.004457992023  0.633960970852  0.275060525836  -0.002000085853  -0.001636323923  -0.000369011714
  3  Al  1.933238912368  1.976864745368  8.050036235024  -0.010419932643  -0.050635458479  0.072820316546  -0.002643806144  -0.001615525323  -0.002005266367
  4  Al  0.044361477945  7.998672590060  4.225586832187  0.133131565508  0.276670053555  -0.712579684870  0.002179075792  -0.002029458542  0.002046011620
  5  Al  0.018068875840  2.014914121882  6.141181661409  -0.040111980590  -0.073894959835  -0.324794909245  0.000425206965  -0.000711592333  0.000650503198
  6  Al  1.979968001545  0.003903569397  6.053856042072  0.167744494733  0.004865094513  0.193159434724  -0.001091483261  0.000944545033  0.000157854929
  7  Al  2.009491375105  2.042038156557  4.137071571410  -0.040678614784  -0.136364928593  -0.249661514758  -0.000696039746  -0.000208322581  0.001977592135
  8  Al  8.039151073417  4.159639369080  7.935540761579  0.019379633761  -0.306929938844  0.447916518838  -0.001731025644  0.001736152102  -0.002917322393
  9  Al  0.039572551404  6.055833738929  2.023845472728  -0.175709159074  -0.005553769405  0.019426826949  0.000605405864  -0.000602392597  0.000401229668
  10  Al  2.092331049247  3.944075658512  2.030907781307  -0.316322596263  0.291685246051  0.324112972462  0.000652690129  -0.000816221032  0.001764203199
  11  Al  2.042102807220  6.120283850689  0.164955787781  -0.083559978785  -0.136378736057  -0.399715599676  -0.000195054871  0.000959451002  0.004035757833
  12  Al  8.055167417238  4.095354709969  3.955377148119  0.360507668289  -0.285303676330  0.223179240870  0.000560938192  0.000472840460  -0.001404497349
  13  Al  0.007243035011  6.027303602242  5.966074123984  -0.105097404192  0.030506914750  0.392956050366  -0.000210631977  -0.001221793371  -0.001625230066
  14  Al  1.987484595919  3.978225541721  6.109554043036  0.001595629811  0.104146177657  -0.308233054795  -0.001457873191  -0.002350639091  -0.000360149507
  15  Al  2.123719180013  6.080687541900  3.915852508856  -0.415769199941  -0.210808744666  0.525281089118  0.000775967618  -0.000754519637  -0.002382881221
  16  Al  4.207749498917  0.160897946274  0.018717703530  -0.105590648093  -0.439876765506  0.133520771441  0.004192390525  0.003260703216  0.001616420392
  17  Al  3.896745862142  1.892641067770  2.001958552921  0.392156485834  0.278788871195  0.124533473902  -0.002327527077  -0.002640596805  -0.000388692731
  18  Al  6.168730037514  7.963073464201  1.874308106542  -0.224574974190  0.516441600772  0.408149209775  0.001101737504  -0.002523117063  -0.002741818644
  19  Al  6.104159860077  2.151833021112  7.912225480961  -0.095904550951  -0.608119962704  0.792295901107  -0.000165956787  0.001025418586  -0.002952126625
  20  Al  4.082110084615  0.144789492395  4.062847162833  -0.231886826921  -0.435420338918  0.091803781550  -0.000138692017  0.002020563391  0.000416904114
  21  Al  4.091317234930  1.989854252065  6.127776029558  -0.059599932707  0.224229374437  -0.010422614675  0.001189031879  0.000012041404  0.002016255099
  22  Al  6.077045791383  0.042547494600  6.106752080898  -0.116479090446  0.018202156812  0.065448849126  -0.000189408608  0.002127467230  0.001441207959
  23  Al  6.184672317109  2.050437087473  4.033367015524  -0.205986941476  0.008993093593  0.074852004357  0.001959486176  0.000710703346  0.000617908735
  24  Al  4.095898984079  4.022617331621  0.143736506492  0.022060597499  0.029411146085  -0.669176655459  0.001796309400  -0.001009774998  0.001295654921
  25  Al  4.005288031897  6.224277254530  2.156104002373  0.359909452275  -0.169302346286  -0.461782597756  0.000046971505  0.003355330177  0.001902096255
  26  Al  5.996432301619  4.172588882134  1.930967890627  0.352723908655  -0.373663628642  0.413179716943  -0.001193411380  0.002588480232  -0.001122010844
  27  Al  6.010536982471  6.130751383579  0.117993016572  -0.012890324375  -0.254849332032  -0.825832037397  -0.001813449229  0.000449226394  0.000519368693
  28  Al  4.078950180631  4.119770464540  4.147147333910  -0.105159879633  -0.033755204893  -0.187373878716  0.000402191955  0.001931525926  0.001506147835
  29  Al  3.947856566519  6.115253852570  6.269411915440  0.376460078309  -0.068437594128  -0.212762379170  -0.000766109066  0.000768518572  0.004307256435
  30  Al  6.110643081898  3.922647070328  6.099435289530  -0.129982198755  0.701948436481  -0.330059734981  0.000579146799  -0.001304470600  -0.000265052489
  31  Al  6.194212461780  6.026482310795  4.016930785721  -0.316625511617  0.202611832346  0.019872314018  0.002057124673  -0.000502854479  -0.001491534386


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)
  -67.468194539689  -0.148201388044  1.556000975370
  -0.148201388044  -69.287544833680  -1.379188172413
  1.556000975370  -1.379188172413  -60.260026960556
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.975785978648  8.057682300979  8.011333732976  0.391194384393  0.013127037636  -0.002243937552  -0.001711603672  -0.001048889100  -0.003024418654
  1  Al  8.052864954508  1.938053605893  1.886409659643  0.214769693900  0.254824872679  0.107677613386  -0.000083503276  -0.001338666082  -0.003604450430
  2  Al  1.945114993954  7.973948905657  1.969186599924  0.001999161394  0.644723725748  0.278206062086  -0.001999508588  -0.001522010431  -0.000319550079
  3  Al  1.931916543529  1.976054719319  8.049036856883  -0.010044243858  -0.050329312785  0.083104753849  -0.002645635626  -0.001624551501  -0.001991326778
  4  Al  0.045456966774  7.997670227841  4.226577985942  0.130188014903  0.281105186983  -0.719987754242  0.002202616373  -0.001979593837  0.001917941122
  5  Al  0.018279686332  2.014555022637  6.141492394792  -0.042345216007  -0.072660721024  -0.330501874230  0.000417835351  -0.000724694306  0.000591920137
  6  Al  1.979429758033  0.004376059381  6.053943603693  0.173357569780  -0.003420631263  0.194818550647  -0.001060988982  0.000944674167  0.000192539881
  7  Al  2.009141536913  2.041927899803  4.138049207698  -0.041111142866  -0.136443908068  -0.257556295910  -0.000703351692  -0.000232711495  0.001932247228
  8  Al  8.038286426857  4.160493725473  7.934102122090  0.022546778915  -0.309088311316  0.454233332477  -0.001727277453  0.001681080513  -0.002836670845
  9  Al  0.039867400200  6.055532294379  2.024046955934  -0.178448991314  -0.005002682662  0.016958727699  0.000573744380  -0.000603336336  0.000404482511
  10  Al  2.092643254805  3.943680586221  2.031804370640  -0.319876413169  0.286562753647  0.323859190155  0.000595814395  -0.000764526077  0.001822131444
  11  Al  2.042001544683  6.120757480109  0.166955799554  -0.082274764531  -0.140602986093  -0.411722896260  -0.000209880378  0.000934689035  0.003963215816
  12  Al  8.055464000897  4.095578377228  3.954684875476  0.360747228158  -0.290339302995  0.221930980130  0.000625417861  0.000421378392  -0.001364704816
  13  Al  0.007133021206  6.026694069205  5.965279073945  -0.105035313258  0.031713144666  0.396910317740  -0.000229417691  -0.001216230942  -0.001554616582
  14  Al  1.986755730647  3.977054877472  6.109360190376  0.003526665309  0.112757418133  -0.311188776256  -0.001457415261  -0.002331248066  -0.000415525373
  15  Al  2.124088579088  6.080300859006  3.914684548121  -0.418383238934  -0.212512396495  0.534823832747  0.000701394990  -0.000792364242  -0.002288108604
  16  Al  4.209840974315  0.162508635549  0.019531882057  -0.110819452723  -0.450019192406  0.129905372040  0.004173043617  0.003181147157  0.001639970500
  17  Al  3.895599627857  1.891333231129  2.001769773156  0.390695327986  0.282927850546  0.128819846939  -0.002257540688  -0.002590379734  -0.000366043127
  18  Al  6.169270867845  7.961834990423  1.872955441343  -0.218329039618  0.527659072123  0.414694780693  0.001062142204  -0.002429775214  -0.002668256983
  19  Al  6.104072594785  2.152318547661  7.910784832990  -0.088827095847  -0.612188822726  0.807587943571  -0.000182471663  0.000916323859  -0.002809098160
  20  Al  4.082030373349  0.145780310958  4.063059718486  -0.233723712618  -0.437686721722  0.095275785883  -0.000180317265  0.001942508248  0.000433628893
  21  Al  4.091909086774  1.989870295739  6.128783691220  -0.064572918698  0.225018323431  -0.016934725590  0.001177930915  0.000052203825  0.002013809373
  22  Al  6.076945880506  0.043612041845  6.107475610418  -0.118075855143  0.010170582124  0.060961342320  -0.000210377652  0.002130003733  0.001452508939
  23  Al  6.185642852655  2.050792841134  4.033679315749  -0.203321954602  0.009197202583  0.068421905228  0.001922894255  0.000712329546  0.000630717320
  24  Al  4.096798124880  4.022113758789  0.144354421997  0.015599128898  0.033306621672  -0.673048855186  0.001799676152  -0.001004168075  0.001175660926
  25  Al  4.005327605473  6.225947351864  2.157034408985  0.362343452716  -0.168993028316  -0.466234117084  0.000111540394  0.003325086814  0.001819132229
  26  Al  5.995851362561  4.173866419620  1.930425354189  0.361187837533  -0.381962479089  0.419449985108  -0.001129588183  0.002520927802  -0.001047574348
  27  Al  6.009629681663  6.130964605103  0.118215786524  -0.011463506392  -0.256113160590  -0.836846398976  -0.001815626444  0.000403546715  0.000370726438
  28  Al  4.079146575999  4.120734718657  4.147892032283  -0.107735198366  -0.034916023658  -0.186423760284  0.000383159288  0.001925386768  0.001472730595
  29  Al  3.947490339616  6.115635052720  6.271556033256  0.372950114543  -0.067775376685  -0.213032925185  -0.000699112335  0.000756341230  0.004269190642
  30  Al  6.110926845141  3.922026211871  6.099288009735  -0.129666641292  0.712449456254  -0.336774116921  0.000555934380  -0.001178024446  -0.000324666955
  31  Al  6.195226871070  6.026239940232  4.016185906814  -0.317050659192  0.204511809668  0.024856110978  0.002000474479  -0.000466457919  -0.001487535697


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)
  -67.173622122604  -0.143341458085  1.629859639868
  -0.143341458085  -69.000934548859  -1.328211221267
  1.629859639868  -1.328211221267  -59.967596087422
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.974947663060  8.057158443203  8.009821423346  0.392085388890  0.013365324815  0.002653742323  -0.001641579024  -0.001046520702  -0.003024382018
  1  Al  8.052832802998  1.937395663432  1.884612247578  0.210761781515  0.258168496633  0.108575044042  -0.000045461069  -0.001292804844  -0.003585117598
  2  Al  1.944115329022  7.973216719360  1.969039260596  0.003131608255  0.656619810443  0.278561129781  -0.001999049901  -0.001405671256  -0.000269775493
  3  Al  1.930593276742  1.975240193867  8.048044908247  -0.005722127158  -0.049607147145  0.090871819281  -0.002647045129  -0.001633485748  -0.001975773397
  4  Al  0.046564094318  7.996692996223  4.227504773310  0.124669652693  0.286884193981  -0.724462025349  0.002225400465  -0.001928815995  0.001788808351
  5  Al  0.018486711191  2.014189427576  6.141773581546  -0.047872190146  -0.070924116844  -0.333434211936  0.000409769980  -0.000737530687  0.000532564729
  6  Al  1.978907012563  0.004848243564  6.054048581953  0.182456404796  -0.009814757300  0.199118294675  -0.001029179468  0.000943490933  0.000227757552
  7  Al  2.008788023414  2.041805445062  4.139003818638  -0.037548846045  -0.136289460337  -0.262639600738  -0.000710383838  -0.000257093662  0.001885742089
  8  Al  8.037423795963  4.161320449593  7.932704090734  0.022187646778  -0.313139135551  0.458137674466  -0.001723278228  0.001625453827  -0.002755105534
  9  Al  0.040146295785  6.055230402593  2.024249955238  -0.184360147102  -0.004639507249  0.012197415510  0.000541309504  -0.000604198341  0.000407089049
  10  Al  2.092926863642  3.943311132434  2.032729912751  -0.319000535428  0.279456554574  0.320834511447  0.000538699256  -0.000713924359  0.001879766597
  11  Al  2.041892926842  6.121218539724  0.168919003596  -0.077098659888  -0.144846196389  -0.426411957699  -0.000224128247  0.000909170083  0.003888287163
  12  Al  8.055792835099  4.095776088362  3.954012443303  0.356797408879  -0.296717709559  0.222926532668  0.000689565835  0.000368895918  -0.001324934874
  13  Al  0.007013617320  6.026087371300  5.964519507402  -0.107831792706  0.032069952868  0.403331731821  -0.000248447857  -0.001210528779  -0.001483075518
  14  Al  1.986027180657  3.975894293655  6.109138517663  0.009345073122  0.119635827541  -0.311152545622  -0.001456264537  -0.002310472277  -0.000471162239
  15  Al  2.124420575003  6.079895177658  3.913564400252  -0.417116881900  -0.214274579811  0.546095999126  0.000626701881  -0.000830518691  -0.002191475149
  16  Al  4.211922542534  0.164079093432  0.020357674030  -0.113974756007  -0.457987723545  0.123788050307  0.004152947177  0.003099971993  0.001662650509
  17  Al  3.894488321454  1.890050688035  2.001592509794  0.392772697675  0.287966065559  0.130480616481  -0.002187499211  -0.002539342229  -0.000342861852
  18  Al  6.169792179718  7.960643688987  1.871639849559  -0.215662322717  0.539988479542  0.418096895202  0.001023343688  -0.002334328292  -0.002593806007
  19  Al  6.103977388414  2.152749344970  7.909416382801  -0.085296472065  -0.615196220431  0.820354512043  -0.000198038185  0.000806596519  -0.002663561276
  20  Al  4.081929767351  0.146732000643  4.063280791725  -0.232506557300  -0.437706472395  0.101007045065  -0.000221997915  0.001864248726  0.000451176436
  21  Al  4.092495165845  1.989906455890  6.129789838931  -0.066511728464  0.226535858177  -0.021065268769  0.001166212042  0.000092572444  0.002010412201
  22  Al  6.076835413732  0.044677498333  6.108204589838  -0.123292766734  0.004409288417  0.058856659721  -0.000231955833  0.002131307163  0.001463220583
  23  Al  6.186595211364  2.051149417019  4.033997732844  -0.204940767006  0.010473665351  0.064434072198  0.001886395861  0.000714088107  0.000642594549
  24  Al  4.097698660232  4.021613163546  0.144912167418  0.012068507447  0.035133662451  -0.679305886023  0.001802149619  -0.000998049563  0.001054761385
  25  Al  4.005399572292  6.227602341344  2.157923134602  0.367990942804  -0.168983031448  -0.472586227579  0.000176831764  0.003294871997  0.001735202366
  26  Al  5.995302713436  4.175109809936  1.929920316279  0.365921146054  -0.391984210138  0.423250448696  -0.001064585163  0.002451737525  -0.000972237535
  27  Al  6.008721356027  6.131154930294  0.118363743010  -0.013292374629  -0.257992154505  -0.849588606981  -0.001817839602  0.000357586069  0.000219960362
  28  Al  4.079333339919  4.121695851308  4.148620064505  -0.106366886072  -0.038165246107  -0.182806611133  0.000364018716  0.001918853355  0.001439721666
  29  Al  3.947157454184  6.116010193800  6.273681106082  0.372635022497  -0.068030043222  -0.211047042239  -0.000632457560  0.000744200324  0.004231278198
  30  Al  6.111199016278  3.921469045882  6.099110622575  -0.133112148777  0.720780900760  -0.340946374584  0.000532442145  -0.001049894684  -0.000385254679
  31  Al  6.196212936259  6.026015852877  4.015443250024  -0.321315321264  0.204809630865  0.031874163798  0.001943405020  -0.000429864876  -0.001482464052


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)
  -66.889739475645  -0.139581232702  1.701868106626
  -0.139581232702  -68.719696811100  -1.273966246340
  1.701868106626  -1.273966246340  -59.682286073789
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.974144399624  8.056635780277  8.008309350958  0.396058610667  0.011657593047  0.009456124267  -0.001571119517  -0.001044283671  -0.003023299405
  1  Al  8.052819493440  1.936760801049  1.882824542045  0.210132169650  0.260692448625  0.112742442874  -0.000007833452  -0.001246419049  -0.003565331974
  2  Al  1.943115944054  7.972543234402  1.968916824432  0.000876086245  0.666001500492  0.281772884631  -0.001998691616  -0.001287429862  -0.000219682035
  3  Al  1.929269498400  1.974421233571  8.047061083486  -0.005090214963  -0.049176597191  0.100701469952  -0.002648011744  -0.001642316944  -0.001958646883
  4  Al  0.047682367239  7.995741411846  4.228366794293  0.121227060630  0.290649350007  -0.731085992508  0.002247383454  -0.001877184912  0.001658683406
  5  Al  0.018689456311  2.013817491950  6.142024959521  -0.050271760859  -0.069738414558  -0.339239948543  0.000400995981  -0.000750105816  0.000472428143
  6  Al  1.978400578565  0.005319550314  6.054171361245  0.187734516763  -0.017859575708  0.200232899941  -0.000996084666  0.000941016867  0.000263459261
  7  Al  2.008431153075  2.041670806141  4.139934949787  -0.037940035261  -0.136448676657  -0.269909986672  -0.000717132490  -0.000281476255  0.001838132539
  8  Al  8.036563148629  4.162119179300  7.931347016556  0.025571314904  -0.315046166586  0.464074345689  -0.001719008611  0.001569294514  -0.002672660443
  9  Al  0.040408709704  6.054928096038  2.024454044983  -0.186973791855  -0.003863321098  0.010109519735  0.000508112517  -0.000604958488  0.000409083273
  10  Al  2.093181954061  3.942966661863  2.033684137237  -0.322081016359  0.274618625343  0.320170793944  0.000481387026  -0.000664390436  0.001937072010
  11  Al  2.041777416436  6.121666650193  0.170844086716  -0.075869644250  -0.148844682103  -0.437460836684  -0.000237803503  0.000882914330  0.003811057557
  12  Al  8.056153566732  4.095947273146  3.953359940602  0.356354036889  -0.301132313327  0.221731913028  0.000753321061  0.000315448556  -0.001285182729
  13  Al  0.006884573349  6.025483540425  5.963795998426  -0.107755918894  0.033627908899  0.406341371921  -0.000267721243  -0.001204655438  -0.001410691325
  14  Al  1.985299466110  3.974744405195  6.108889028137  0.011027192786  0.127847357905  -0.313935231611  -0.001454443271  -0.002288347458  -0.000527044637
  15  Al  2.124715280969  6.079470340316  3.912493072972  -0.419394526846  -0.215450543712  0.554584184103  0.000551918363  -0.000868935807  -0.002093075133
  16  Al  4.213993921492  0.165608607541  0.021194532566  -0.119495986510  -0.467791984935  0.120099345123  0.004132075061  0.003017207953  0.001684453867
  17  Al  3.893412128647  1.888793888900  2.001426911305  0.391046977475  0.291855802337  0.134753274379  -0.002117426296  -0.002487506571  -0.000319150133
  18  Al  6.170294211534  7.959500662132  1.870361635337  -0.209176086860  0.549987925396  0.424671542491  0.000985363440  -0.002236885185  -0.002518463115
  19  Al  6.103874556600  2.153125144180  7.908121271714  -0.078087448953  -0.618396834206  0.834104353700  -0.000212644590  0.000696314188  -0.002515653844
  20  Al  4.081808375434  0.147644559685  4.063510894922  -0.233968491444  -0.439929805696  0.104310264325  -0.000263700449  0.001785788675  0.000469531656
  21  Al  4.093075298816  1.989962868183  6.130794103421  -0.071479573954  0.226925417588  -0.027787933747  0.001153875719  0.000133111555  0.002006044759
  22  Al  6.076713924673  0.045743349008  6.108938831001  -0.124514973573  -0.003355288142  0.053525099166  -0.000254109666  0.002131401389  0.001473267431
  23  Al  6.187529248516  2.051506929241  4.034321910298  -0.202087153761  0.010352411078  0.058437635535  0.001850007858  0.000715949943  0.000653579191
  24  Al  4.098600274499  4.021115709226  0.145409183382  0.005362200692  0.038887334535  -0.682211157526  0.001803707912  -0.000991432139  0.000933042741
  25  Al  4.005504437236  6.229242223861  2.158769611351  0.369774631037  -0.168422790194  -0.476138651921  0.000242787475  0.003264708159  0.001650387044
  26  Al  5.994786777398  4.176318157145  1.929453116654  0.374035287304  -0.399261306718  0.429342701079  -0.000998433591  0.002381000745  -0.000896016321
  27  Al  6.007811842061  6.131322191172  0.118435746886  -0.011518466924  -0.258822347782  -0.858947284447  -0.001820057673  0.000311383225  0.000067218483
  28  Al  4.079510594715  4.122653572012  4.149331753948  -0.108811339107  -0.039169326245  -0.181872047985  0.000344781937  0.001911939700  0.001407119656
  29  Al  3.946857882056  6.116379253043  6.275787311454  0.368755140934  -0.067072160144  -0.211700333968  -0.000566177813  0.000732122284  0.004193484887
  30  Al  6.111459287285  3.920976317187  6.098902755055  -0.132333367585  0.729904629882  -0.347272429754  0.000508711507  -0.000920204441  -0.000446780945
  31  Al  6.197170276090  6.025810075355  4.014703442762  -0.321105428018  0.206773829867  0.036399669482  0.001885973067  -0.000393069611  -0.001476360420


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)
  -66.611884860485  -0.134358057527  1.776900649241
  -0.134358057527  -68.443193731362  -1.216038260698
  1.776900649241  -1.216038260698  -59.410860167254
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.973376543543  8.056114159532  8.006798123941  0.398053380030  0.011617196789  0.015441884433  -0.001500126477  -0.001042202921  -0.003021073541
  1  Al  8.052824969546  1.936149244384  1.881046915605  0.207377752887  0.263538629278  0.114285295150  0.000029491634  -0.001199553168  -0.003545035857
  2  Al  1.942116637406  7.971929289498  1.968819578561  0.000609448183  0.676472255102  0.282500421630  -0.001998558810  -0.001167413675  -0.000169236408
  3  Al  1.927945264997  1.973597876923  8.046086261364  -0.002267242297  -0.048573261033  0.109295630886  -0.002648669496  -0.001651055711  -0.001939873293
  4  Al  0.048811477773  7.994815811312  4.229163456716  0.116477815834  0.295711901733  -0.735895308515  0.002268634099  -0.001824764638  0.001527536334
  5  Al  0.018887707172  2.013439321760  6.142246009689  -0.054806780201  -0.068168804494  -0.342421165374  0.000391602035  -0.000762434622  0.000411488130
  6  Al  1.977910927897  0.005789260431  6.054312041214  0.194727329432  -0.024217653084  0.203713284128  -0.000961892853  0.000937255193  0.000299571759
  7  Al  2.008070890924  2.041523968807  4.140841951177  -0.036141938029  -0.136373987452  -0.275652234927  -0.000723755365  -0.000305866405  0.001789359669
  8  Al  8.035704787352  4.162889744107  7.930031430291  0.026866635157  -0.318703938250  0.468678480826  -0.001714320696  0.001512637710  -0.002589273012
  9  Al  0.040654408302  6.054625444105  2.024659038511  -0.191266832264  -0.003144245202  0.005862519601  0.000474298078  -0.000605584959  0.000410511162
  10  Al  2.093408250668  3.942646741998  2.034666984761  -0.322550974625  0.268081750848  0.317113805526  0.000423757390  -0.000615873413  0.001994044795
  11  Al  2.041655123339  6.122101454054  0.172730061153  -0.072535265897  -0.152707285076  -0.449877456843  -0.000251070795  0.000855955801  0.003731730152
  12  Al  8.056546156160  4.096091536918  3.952727260574  0.353577703097  -0.306808898042  0.221673479307  0.000816788448  0.000261099049  -0.001245542606
  13  Al  0.006745896076  6.024882715862  5.963108816077  -0.109251030798  0.034652143128  0.411533330813  -0.000287121509  -0.001198551250  -0.001337573916
  14  Al  1.984572737386  3.973605946196  6.108611473027  0.014809782027  0.134528843686  -0.314194180809  -0.001452133464  -0.002264891215  -0.000583198954
  15  Al  2.124972493366  6.079026241850  3.911471325119  -0.419526806873  -0.216728277977  0.563535355731  0.000476919399  -0.000907572283  -0.001993116050
  16  Al  4.216054617595  0.167096301384  0.022042127898  -0.123821456514  -0.475589086345  0.115106344949  0.004110322656  0.002932870364  0.001705481087
  17  Al  3.892370895158  1.887563181464  2.001273359661  0.391356039536  0.296387604143  0.136669670076  -0.002047480029  -0.002434918034  -0.000294885117
  18  Al  6.170777543158  7.958406803801  1.869121386444  -0.204620854526  0.561056957775  0.428232176438  0.000948370292  -0.002137558572  -0.002442214136
  19  Al  6.103764743825  2.153445659158  7.906900728956  -0.072726317283  -0.620918946741  0.846276137850  -0.000226127232  0.000585520249  -0.002365429038
  20  Al  4.081666066902  0.148517789318  4.063750323381  -0.233725586984  -0.440147764106  0.108648368644  -0.000305511963  0.001707110373  0.000488570005
  21  Al  4.093649041564  1.990039567445  6.131795883690  -0.074675403395  0.227765082191  -0.032175777701  0.001140809569  0.000173760559  0.002000684047
  22  Al  6.076581304065  0.046808899722  6.109677857269  -0.127583610829  -0.009148257048  0.050609667365  -0.000276647098  0.002130283581  0.001482577004
  23  Al  6.188445219222  2.051865366962  4.034651312035  -0.201602441490  0.010978865558  0.053750889314  0.001813918299  0.000717856944  0.000663608764
  24  Al  4.099502368143  4.020621731407  0.145845210159  0.000376767013  0.040821923182  -0.686240788852  0.001804220972  -0.000984306189  0.000810704122
  25  Al  4.005642359767  6.230867049503  2.159573521646  0.373165865100  -0.167991065284  -0.481627374335  0.000309205821  0.003234633003  0.001564763451
  26  Al  5.994304279845  4.177490810681  1.929024299958  0.379900669968  -0.408101468079  0.432993009461  -0.000931032259  0.002308823094  -0.000818924129
  27  Al  6.006901298353  6.131466313519  0.118430961493  -0.011405138381  -0.259821883914  -0.868958283304  -0.001822107027  0.000265016804  -0.000087255032
  28  Al  4.079678121856  4.123607791008  4.150027184161  -0.109067565629  -0.042068835447  -0.179602403921  0.000325303720  0.001904677067  0.001374804100
  29  Al  3.946591276372  6.116742316084  6.277874590968  0.366715827101  -0.066743491699  -0.210237013751  -0.000500427238  0.000720159261  0.004155763991
  30  Al  6.111707727785  3.920548841441  6.098663841630  -0.133508429310  0.736768135792  -0.351030701823  0.000484945441  -0.000789084951  -0.000509208743
  31  Al  6.198098909326  6.025622783265  4.013966889604  -0.322931340040  0.207575860067  0.041992938029  0.001828396644  -0.000356027047  -0.001469352177


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)
  -66.344793490226  -0.129871749433  1.850410938173
  -0.129871749433  -68.172213915850  -1.154988956605
  1.850410938173  -1.154988956605  -59.147378243499
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.972644273147  8.055593577356  8.005288277418  0.402210752873  0.009073465341  0.022342175146  -0.001428583439  -0.001040353191  -0.003017695673
  1  Al  8.052848985074  1.935561247882  1.879279506188  0.206942886602  0.265542895917  0.119718188669  0.000066531601  -0.001152253660  -0.003524116114
  2  Al  1.941117385243  7.971375820727  1.968747588024  -0.001369418391  0.683900191158  0.286580447834  -0.001998626751  -0.001045797357  -0.000118360987
  3  Al  1.926620828905  1.972770177860  8.045121210192  -0.001173677979  -0.048358987447  0.118857123148  -0.002648977111  -0.001659721384  -0.001919476601
  4  Al  0.049951001339  7.993916647209  4.229894330627  0.113279038030  0.298354059730  -0.741950543310  0.002289174196  -0.001771655568  0.001395417978
  5  Al  0.019081058347  2.013055057328  6.142436447651  -0.057191984453  -0.067155124100  -0.349154450123  0.000381589426  -0.000774532484  0.000349661768
  6  Al  1.977438685712  0.006256805508  6.054470933004  0.199751826639  -0.032918957458  0.203518942142  -0.000926626700  0.000932147222  0.000335978027
  7  Al  2.007707397710  2.041364939737  4.141724309456  -0.036589316449  -0.136739661977  -0.282615194149  -0.000730257487  -0.000330282568  0.001739450963
  8  Al  8.034848827933  4.163631817010  7.928757743545  0.030824202462  -0.319680826437  0.474077242970  -0.001709163177  0.001455566572  -0.002504991328
  9  Al  0.040883007782  6.054322511079  2.024864556144  -0.193289396151  -0.001911019953  0.004990989748  0.000439919028  -0.000606036896  0.000411481458
  10  Al  2.093605711451  3.942350788449  2.035678182031  -0.325057377998  0.264118755934  0.317035948982  0.000365861670  -0.000568295071  0.002050737326
  11  Al  2.041526345641  6.122522605994  0.174575816868  -0.071251481367  -0.156158769021  -0.460079191213  -0.000263925227  0.000828343398  0.003650380682
  12  Al  8.056970355180  4.096208372195  3.952114397996  0.353030915366  -0.309990383930  0.220613069204  0.000879958750  0.000205957637  -0.001206002507
  13  Al  0.006597451840  6.024284989175  5.962458424511  -0.108573120348  0.036686016681  0.412914406168  -0.000306594831  -0.001192173670  -0.001263868881
  14  Al  1.983847332646  3.972479513980  6.108305829183  0.016406758157  0.143375371215  -0.317724472235  -0.001449342728  -0.002240046778  -0.000639692027
  15  Al  2.125192200368  6.078562768033  3.910499956921  -0.421453638105  -0.217275574792  0.571099452720  0.000401736353  -0.000946371915  -0.001891680515
  16  Al  4.218104244149  0.168541477905  0.022900013653  -0.130121334637  -0.485822993893  0.111294192110  0.004087620354  0.002846920816  0.001725721132
  17  Al  3.891364648618  1.886358970866  2.001132026188  0.388994597900  0.300008074894  0.141843124983  -0.001977717244  -0.002381600690  -0.000269986274
  18  Al  6.171242581825  7.957363103559  1.867919421200  -0.197850512358  0.569295855290  0.435334860779  0.000912389641  -0.002036505844  -0.002365011864
  19  Al  6.103648429369  2.153710664429  7.905755842676  -0.065408755718  -0.623414518153  0.858319550319  -0.000238476408  0.000474277733  -0.002213039410
  20  Al  4.081502863471  0.149351670058  4.063999464927  -0.235400692351  -0.443045763834  0.111790439545  -0.000347451515  0.001628153508  0.000508277075
  21  Al  4.094216108385  1.990136628742  6.132794787468  -0.080011745499  0.227602781267  -0.039836532481  0.001126980650  0.000214470118  0.001994246198
  22  Al  6.076437277575  0.047873632589  6.110421408005  -0.128543466583  -0.017423031306  0.043939179358  -0.000299544675  0.002127908127  0.001491029603
  23  Al  6.189343166815  2.052224786185  4.034985519062  -0.198554625638  0.010643057316  0.048024090575  0.001778144545  0.000719789929  0.000672707374
  24  Al  4.100404495471  4.020131403038  0.146219887504  -0.006952403720  0.045237596628  -0.688122748700  0.001803633114  -0.000976612530  0.000687837011
  25  Al  4.005813643057  6.232476856864  2.160334374801  0.373750896068  -0.167178635007  -0.483538244930  0.000375979642  0.003204669073  0.001478478339
  26  Al  5.993855745139  4.178626980239  1.928634192525  0.387333842552  -0.413859669503  0.439793675943  -0.000862442045  0.002235340360  -0.000740897628
  27  Al  6.005989735034  6.131587207976  0.118348491855  -0.009409776320  -0.259938135314  -0.876647068450  -0.001823967866  0.000218550632  -0.000243310894
  28  Al  4.079835898435  4.124558249079  4.150706558049  -0.111719138228  -0.042255955106  -0.178894178763  0.000305565547  0.001897138491  0.001342754764
  29  Al  3.946357454818  6.117099412304  6.279943075445  0.362125847334  -0.065462418604  -0.212099451508  -0.000435269316  0.000708340148  0.004118007415
  30  Al  6.111944232727  3.920187232236  6.098393546313  -0.132399742771  0.745221769083  -0.357737320883  0.000461173442  -0.000656596120  -0.000572572094
  31  Al  6.198998672734  6.025454048308  4.013234090585  -0.322329958915  0.209530535381  0.046312296402  0.001770710748  -0.000318738036  -0.001461457753


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)
  -66.082633365462  -0.124985611553  1.928380793536
  -0.124985611553  -67.905716084104  -1.090345573002
  1.928380793536  -1.090345573002  -58.901208166131
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.971947960104  8.055073806341  8.003780428268  0.403599701335  0.008797007029  0.026455752101  -0.001356544564  -0.001038755584  -0.003013333173
  1  Al  8.052891501148  1.934996990723  1.877522799491  0.203376017679  0.269331120062  0.120326903678  0.000103213816  -0.001104436308  -0.003502656256
  2  Al  1.940118010655  7.970883492141  1.968701217573  -0.000450661341  0.692946955264  0.286145142667  -0.001998789465  -0.000922708213  -0.000067159732
  3  Al  1.925296287886  1.971938155538  8.044166784762  0.002860439855  -0.046455904212  0.125145014597  -0.002648826316  -0.001668197767  -0.001897662986
  4  Al  0.051100651969  7.993044155744  4.230558874694  0.107534041110  0.302765686169  -0.743793435107  0.002308914727  -0.001717915896  0.001262593535
  5  Al  0.019269296599  2.012664789276  6.142595671457  -0.062369400592  -0.064499481861  -0.351510210291  0.000370900724  -0.000786302311  0.000287022851
  6  Al  1.976984301197  0.006721407653  6.054648019242  0.207615115697  -0.039242036752  0.207678209782  -0.000890208389  0.000925696081  0.000372738757
  7  Al  2.007340633437  2.041193686239  4.142581402140  -0.033746046677  -0.135799755861  -0.285580578840  -0.000736545417  -0.000354647396  0.001688654670
  8  Al  8.033995624176  4.164345310678  7.927526438963  0.032005668240  -0.323247139129  0.476477523795  -0.001703546232  0.001398089274  -0.002420012416
  9  Al  0.041094327330  6.054019407209  2.025070519969  -0.197787474032  -0.002157329297  0.000165735972  0.000404957037  -0.000606400604  0.000411942465
  10  Al  2.093774112338  3.942078446927  2.036717722087  -0.324248473050  0.257878503515  0.312305859645  0.000307814194  -0.000521628891  0.002107000031
  11  Al  2.041391198112  6.122929797452  0.176380441835  -0.066850338155  -0.160810418207  -0.474024281824  -0.000276271430  0.000800006581  0.003566872504
  12  Al  8.057426114909  4.096297494555  3.951521258067  0.349124145052  -0.315066053960  0.222652040663  0.000942730907  0.000150078042  -0.001166374925
  13  Al  0.006439301245  6.023690542192  5.961844947195  -0.110359711648  0.036961317963  0.418415890530  -0.000326167269  -0.001185589651  -0.001189548551
  14  Al  1.983123394658  3.971365899418  6.107971781000  0.020978054018  0.150013324615  -0.316577314055  -0.001446000553  -0.002213818040  -0.000696398150
  15  Al  2.125374229718  6.078079869935  3.909579644604  -0.420317160331  -0.219075202964  0.581120338526  0.000326482649  -0.000985381361  -0.001788672895
  16  Al  4.220142237949  0.169943222200  0.023767849029  -0.134722618624  -0.493254770472  0.103953552480  0.004063943495  0.002759391968  0.001744964125
  17  Al  3.890393177914  1.885181580774  2.001003373388  0.389803329637  0.305222554893  0.142901806224  -0.001908093269  -0.002327493507  -0.000244530282
  18  Al  6.171689932799  7.956370297957  1.866756374580  -0.194084849651  0.579311649943  0.437891199437  0.000877350902  -0.001933821160  -0.002286946083
  19  Al  6.103526267417  2.153919936890  7.904687689546  -0.060760606119  -0.623887022216  0.867220665104  -0.000249755858  0.000362769872  -0.002058777357
  20  Al  4.081318615387  0.150145942826  4.064258600457  -0.234048138560  -0.442883732951  0.118237906463  -0.000389419902  0.001548952048  0.000528841444
  21  Al  4.094776022214  1.990254037564  6.133790129888  -0.082857888153  0.228917719744  -0.043548144537  0.001112420221  0.000255282722  0.001986791668
  22  Al  6.076281759391  0.048936807850  6.111168886872  -0.132429061118  -0.023088349481  0.040894395780  -0.000322875431  0.002124286439  0.001498613664
  23  Al  6.190223363767  2.052585156890  4.035324019409  -0.199042862672  0.011769576201  0.045603867023  0.001742599616  0.000721793602  0.000681077646
  24  Al  4.101306001258  4.019645118877  0.146533047170  -0.012009337836  0.047197581579  -0.693498673673  0.001801937948  -0.000968348891  0.000564321050
  25  Al  4.006018339409  6.234071718576  2.161051999985  0.376817724284  -0.167409313213  -0.489045170432  0.000443079936  0.003174757151  0.001391530081
  26  Al  5.993441837799  4.179726151041  1.928283402330  0.392023288787  -0.422105451747  0.442081053776  -0.000792768079  0.002160605680  -0.000662058662
  27  Al  6.005077330488  6.131684864151  0.118187650599  -0.009940340176  -0.261520155288  -0.887280363164  -0.001825697752  0.000171932636  -0.000401004737
  28  Al  4.079983687403  4.125504929499  4.151369938925  -0.111285498686  -0.045186812961  -0.174431650466  0.000285629093  0.001889321171  0.001311167689
  29  Al  3.946156007055  6.117450656232  6.281992598384  0.360170415496  -0.065802638719  -0.210175356626  -0.000370696550  0.000696605146  0.004080256351
  30  Al  6.112168901227  3.919892245320  6.098091269536  -0.134082384459  0.750938880350  -0.360032801568  0.000437350132  -0.000522840435  -0.000636740226
  31  Al  6.199869620074  6.025304045230  4.012505431851  -0.324515089311  0.209439691961  0.053825122340  0.001712883266  -0.000281282399  -0.001452505540


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)
  -65.832839558269  -0.119499520705  2.003392923180
  -0.119499520705  -67.647214908619  -1.022673866820
  2.003392923180  -1.022673866820  -58.662985732664
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.971287728583  8.054554821772  8.002274944244  0.405961663893  0.007763809670  0.034088711756  -0.001284170361  -0.001037275058  -0.003007920542
  1  Al  8.052952198890  1.934456811574  1.875776849932  0.201263280126  0.271175323104  0.124510275201  0.000139388278  -0.001056115421  -0.003480767988
  2  Al  1.939118595779  7.970453112514  1.968680428292  -0.001517393562  0.700479991360  0.288953805274  -0.001998965407  -0.000798136847  -0.000015746300
  3  Al  1.923972002589  1.971101980092  8.043223547206  0.004753319289  -0.046181694092  0.134919499027  -0.002648145652  -0.001676479502  -0.001874413405
  4  Al  0.052259916065  7.992198731313  4.231156924162  0.102682874774  0.306199657066  -0.749389044508  0.002327707968  -0.001663474832  0.001129104096
  5  Al  0.019451959071  2.012268755017  6.142723470503  -0.066485691561  -0.063529934103  -0.356819960781  0.000359381172  -0.000797748049  0.000223698644
  6  Al  1.976548477323  0.007182501588  6.054843671761  0.212766880993  -0.046243164710  0.208222649748  -0.000852626541  0.000918053765  0.000409919994
  7  Al  2.006970852293  2.041010292340  4.143412964126  -0.033324313614  -0.136141410009  -0.292450259408  -0.000742541459  -0.000378958741  0.001636979129
  8  Al  8.033145281702  4.165029906285  7.926337731128  0.034537368666  -0.325632234771  0.482052280254  -0.001697597332  0.001340079925  -0.002334320542
  9  Al  0.041287964819  6.053716110475  2.025276498610  -0.201051517961  -0.000624129877  -0.001573371304  0.000369301118  -0.000606649264  0.000411816624
  10  Al  2.093913525645  3.941829159558  2.037785182062  -0.325310226537  0.252642461578  0.310769300893  0.000249744114  -0.000475988685  0.002162702502
  11  Al  2.041250074210  6.123322612575  0.178142689372  -0.064826259575  -0.163779607210  -0.482906009350  -0.000288043224  0.000770988466  0.003481323625
  12  Al  8.057913086086  4.096358450237  3.950948023071  0.346560577718  -0.318962916250  0.221158476229  0.001004924620  0.000093396308  -0.001126698584
  13  Al  0.006271284572  6.023099399524  5.961268875960  -0.111031333936  0.039236492321  0.420007050197  -0.000345959469  -0.001178777622  -0.001114594143
  14  Al  1.982401332093  3.970265695940  6.107609431033  0.023100299966  0.157079005992  -0.318812641076  -0.001442059980  -0.002186364206  -0.000753201555
  15  Al  2.125518683017  6.077577386672  3.908711284026  -0.421087930671  -0.219242517794  0.586878054318  0.000251261639  -0.001024566650  -0.001684254679
  16  Al  4.222168187643  0.171300869874  0.024644977778  -0.139871726562  -0.501598404381  0.100655400422  0.004039394958  0.002670452811  0.001763256018
  17  Al  3.889456555348  1.884031477359  2.000887495906  0.388762120554  0.308819221410  0.146864111354  -0.001838490078  -0.002272598614  -0.000218625417
  18  Al  6.172119932727  7.955429282399  1.865632475117  -0.187918195351  0.587750696369  0.443389864622  0.000843200104  -0.001829486626  -0.002208160190
  19  Al  6.103398673510  2.154073434301  7.903697065320  -0.053979275630  -0.625638213197  0.878356404717  -0.000260013521  0.000251063216  -0.001902724023
  20  Al  4.081113443569  0.150900622106  4.064528306371  -0.234048036155  -0.444183252524  0.120455452873  -0.000431267363  0.001469648898  0.000550180459
  21  Al  4.095328528607  1.990391911464  6.134781579136  -0.086666956822  0.228602949364  -0.050065801244  0.001097264822  0.000296184741  0.001978422649
  22  Al  6.076114402144  0.049997919028  6.111920021668  -0.133578353745  -0.029615951761  0.035000266217  -0.000346656302  0.002119574713  0.001505398592
  23  Al  6.191085766431  2.052946579787  4.035666596708  -0.196824521416  0.011256027613  0.039710149427  0.001707209357  0.000723852074  0.000688704658
  24  Al  4.102206433419  4.019163054147  0.146784208554  -0.017902350802  0.049985246365  -0.694065366723  0.001799263865  -0.000959660816  0.000440273824
  25  Al  4.006256722994  6.235651614015  2.161725904883  0.378164823412  -0.166315747713  -0.491407519175  0.000510574833  0.003144922371  0.001303878317
  26  Al  5.993062977060  4.180787585919  1.927972133863  0.398226712725  -0.428456956294  0.447345187369  -0.000722120297  0.002084566012  -0.000582544596
  27  Al  6.004164037282  6.131759140612  0.117947487118  -0.008235056085  -0.261094641664  -0.892867237086  -0.001827322619  0.000125211249  -0.000560148651
  28  Al  4.080121527528  4.126447570250  4.152017725737  -0.112373428024  -0.046836916477  -0.174263944204  0.000265634146  0.001881094315  0.001279994553
  29  Al  3.945986758268  6.117796017450  6.284023331796  0.356829145518  -0.064492384158  -0.211040099310  -0.000306597305  0.000684956865  0.004042599993
  30  Al  6.112381582859  3.919664391801  6.097756806086  -0.133387973631  0.756496892939  -0.364890207368  0.000413438474  -0.000388076762  -0.000701547822
  31  Al  6.200711556000  6.025172765909  4.011781585045  -0.324188525993  0.211082301833  0.057214521641  0.001654889630  -0.000243688035  -0.001442578675


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)
  -65.590252038733  -0.113824348277  2.080646384525
  -0.113824348277  -67.393995542471  -0.951495090472
  2.080646384525  -0.951495090472  -58.439663391774
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.970663789743  8.054036531283  8.000772507727  0.408191891543  0.007097067336  0.039630354916  -0.001211385619  -0.001035946507  -0.003001330110
  1  Al  8.053030889426  1.933940875303  1.874042031503  0.198656353754  0.273872042364  0.126436169236  0.000175140806  -0.001007388579  -0.003458333556
  2  Al  1.938119045248  7.970085355295  1.968685471274  -0.001654312293  0.707746159403  0.289522431530  -0.001999248956  -0.000672242442  0.000035969060
  3  Al  1.922648142235  1.970261676036  8.042292371357  0.007881412872  -0.045077889745  0.142123465202  -0.002647016116  -0.001684638043  -0.001849645964
  4  Al  0.053428359937  7.991380680911  4.231687978790  0.097766537563  0.309752871522  -0.752000551771  0.002345628001  -0.001608409119  0.000994880947
  5  Al  0.019628677770  2.011867041227  6.142819370101  -0.070951162740  -0.061651466817  -0.359948456372  0.000347094416  -0.000808939176  0.000159620063
  6  Al  1.976131674656  0.007639461418  6.055057939236  0.218849613214  -0.052652700893  0.210859675400  -0.000814040337  0.000909212546  0.000447385653
  7  Al  2.006598091978  2.040814727498  4.144218381269  -0.031883225760  -0.135897298023  -0.296457790746  -0.000748370966  -0.000403278805  0.001584331173
  8  Al  8.032298026844  4.165685390603  7.925192118421  0.036795420324  -0.328537243341  0.485284631084  -0.001691220232  0.001281597645  -0.002247841318
  9  Al  0.041463628448  6.053412757944  2.025482336592  -0.204307584696  0.000193485972  -0.005273000342  0.000333062306  -0.000606687764  0.000411204563
  10  Al  2.094023856451  3.941602458243  2.038880424589  -0.325171633788  0.247034811885  0.306766592879  0.000191591503  -0.000431317896  0.002217909767
  11  Al  2.041103154888  6.123700785919  0.179861765460  -0.061957645331  -0.167298761218  -0.494156977841  -0.000299377613  0.000741390299  0.003393974897
  12  Al  8.058431039530  4.096390890863  3.950394559483  0.343277316420  -0.323089656888  0.221898829451  0.001066595632  0.000035997270  -0.001087089580
  13  Al  0.006093341777  6.022511764570  5.960730353052  -0.111809563387  0.040650756084  0.423683036096  -0.000365881285  -0.001171635759  -0.001039168857
  14  Al  1.981681334678  3.969179535212  6.107218579445  0.026175115799  0.163623823021  -0.318547913415  -0.001437654793  -0.002157693604  -0.000810181130
  15  Al  2.125625491358  6.077055303286  3.907895389925  -0.420822041654  -0.219812331474  0.594292278056  0.000175995494  -0.001063817837  -0.001578658902
  16  Al  4.224181632906  0.172613675011  0.025531105047  -0.145434302604  -0.508980096863  0.094788078470  0.004013888804  0.002580107820  0.001780728525
  17  Al  3.888554687836  1.882908982160  2.000784747970  0.388147803447  0.313222852741  0.148687924646  -0.001769034890  -0.002216988500  -0.000192203278
  18  Al  6.172533132904  7.954540811331  1.864548214390  -0.182627214811  0.596095574399  0.446499546331  0.000810073611  -0.001723651621  -0.002128604717
  19  Al  6.103266253896  2.154171000106  7.902784965523  -0.048000153872  -0.625982331235  0.886666092307  -0.000269130409  0.000139169240  -0.001744932282
  20  Al  4.080887348024  0.151615591724  4.064808780915  -0.233635639949  -0.444629682724  0.125126179124  -0.000473077947  0.001390189661  0.000572135280
  21  Al  4.095873287036  1.990550222305  6.135768552537  -0.090420183641  0.228882600601  -0.054537330192  0.001081433359  0.000337083620  0.001969071204
  22  Al  6.075935103088  0.051056382562  6.112674285463  -0.135722790450  -0.035396160073  0.030762874234  -0.000370731631  0.002113762677  0.001511277769
  23  Al  6.191930573124  2.053309008965  4.036012724067  -0.195713098764  0.011556162926  0.036308903021  0.001672116776  0.000725891468  0.000695500706
  24  Al  4.103105265123  4.018685458061  0.146973320994  -0.023901617531  0.052092946552  -0.696861539455  0.001795526620  -0.000950535099  0.000315925959
  25  Al  4.006528914241  6.237216640947  2.162355878302  0.379349097987  -0.165796957321  -0.495220887701  0.000578296032  0.003115231734  0.001215674447
  26  Al  5.992719717502  4.181810717054  1.927700857734  0.403383998631  -0.435161756465  0.450193362817  -0.000650456877  0.002007359121  -0.000502305295
  27  Al  6.003250007869  6.131810075400  0.117627501948  -0.007080513189  -0.261366293869  -0.900156375298  -0.001828691820  0.000078503618  -0.000720443672
  28  Al  4.080249321549  4.127386023814  4.152649933478  -0.112947263644  -0.049125199398  -0.171498832457  0.000245490639  0.001872515371  0.001249083610
  29  Al  3.945849409750  6.118135613096  6.286035198376  0.353545185157  -0.063967802846  -0.210398816800  -0.000243090352  0.000673472616  0.004004923657
  30  Al  6.112582339702  3.919504168559  6.097389721715  -0.133360709876  0.760967462947  -0.367370440379  0.000389591334  -0.000252416540  -0.000767011396
  31  Al  6.201524509704  6.025060357194  4.011062853176  -0.324619088731  0.211635011439  0.062898487968  0.001596886696  -0.000205897412  -0.001431840659


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)
  -65.357034313235  -0.108229800517  2.156095861771
  -0.108229800517  -67.148058972041  -0.876531449918
  2.156095861771  -0.876531449918  -58.226648234113
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.970076342964  8.053518875266  7.999273614134  0.412012593042  0.005747534448  0.047494955255  -0.001138059928  -0.001034798209  -0.002993541170
  1  Al  8.053127339696  1.933449422995  1.872318516376  0.198076316754  0.275722137066  0.132407050418  0.000210608421  -0.000958255255  -0.003435193159
  2  Al  1.937119346823  7.969780870072  1.968716397352  -0.001910399420  0.713921642572  0.293624003853  -0.001999567638  -0.000545146364  0.000088101931
  3  Al  1.921324986473  1.969417342049  8.041373901243  0.010615875398  -0.044203405006  0.151833470048  -0.002645362471  -0.001692619727  -0.001823366425
  4  Al  0.054605544067  7.990590322194  4.232151805109  0.094261046015  0.312644880273  -0.757320666893  0.002362795129  -0.001552767208  0.000859948716
  5  Al  0.019799053487  2.011459815841  6.142883090566  -0.073680849247  -0.060186086937  -0.366612256699  0.000334164418  -0.000819831365  0.000094666058
  6  Al  1.975734436987  0.008091714134  6.055291057414  0.224576764752  -0.059890234604  0.209541005885  -0.000774398337  0.000899151289  0.000484969171
  7  Al  2.006222481326  2.040607013535  4.144997295299  -0.031000394912  -0.136110344262  -0.303246770363  -0.000753992717  -0.000427596093  0.001530718017
  8  Al  8.031454061470  4.166311503929  7.924089889810  0.041513217827  -0.330570358096  0.490557010997  -0.001684219496  0.001222673899  -0.002160601777
  9  Al  0.041621027125  6.053109422711  2.025687703172  -0.205455687005  0.001474606786  -0.005564854255  0.000296429765  -0.000606538637  0.000410235666
  10  Al  2.094105117148  3.941397841662  2.040003091829  -0.325513785441  0.242258030118  0.305796227745  0.000133420695  -0.000387575468  0.002272672442
  11  Al  2.040950696597  6.124064002874  0.181536664269  -0.059517970340  -0.170454179375  -0.501889701910  -0.000310237446  0.000711195429  0.003304929040
  12  Al  8.058979681718  4.096394447507  3.949860933491  0.341968426997  -0.326383415303  0.220440252892  0.001127856108  -0.000022065155  -0.001047544784
  13  Al  0.005905403287  6.021927763764  5.960229707103  -0.110585000171  0.042870704412  0.423189782232  -0.000385763198  -0.001164169001  -0.000963459036
  14  Al  1.980963677300  3.968108002336  6.106799249903  0.028601695731  0.170869197763  -0.321751957354  -0.001432757786  -0.002127790169  -0.000867423477
  15  Al  2.125694678511  6.076513568835  3.907132625125  -0.420770137289  -0.219752469296  0.599186894396  0.000100757759  -0.001103114614  -0.001471962722
  16  Al  4.226182076448  0.173880977694  0.026425706303  -0.152988677331  -0.517156284045  0.091423033330  0.003987210005  0.002488371966  0.001797375664
  17  Al  3.887687520458  1.881814488859  2.000695292628  0.385312394739  0.316934406386  0.154230077754  -0.001699888105  -0.002160652895  -0.000165122626
  18  Al  6.172930006338  7.953705630778  1.863503870400  -0.176612340543  0.603388158444  0.453309876664  0.000777957854  -0.001616418639  -0.002048162402
  19  Al  6.103129543102  2.154212603541  7.901952133038  -0.041419227534  -0.626438604105  0.896148655648  -0.000277124437  0.000027203709  -0.001585549926
  20  Al  4.080640365621  0.152290811767  4.065100441650  -0.234974487179  -0.445951597891  0.127113729543  -0.000514971356  0.001310572336  0.000594685346
  21  Al  4.096409961966  1.990728995084  6.136750650340  -0.096041770074  0.228322738423  -0.062531754257  0.001064763795  0.000377957448  0.001958605312
  22  Al  6.075743670513  0.052111681705  6.113431299437  -0.137213735621  -0.042107608018  0.022719201329  -0.000395131960  0.002106833895  0.001516059028
  23  Al  6.192757883207  2.053672471255  4.036362097415  -0.193728520592  0.011038585956  0.030352612258  0.001637300975  0.000727911422  0.000701460198
  24  Al  4.104001960039  4.018212519047  0.147100134513  -0.032033343514  0.055046922214  -0.695974153475  0.001790526075  -0.000940956872  0.000191407451
  25  Al  4.006835019026  6.238766845749  2.162941579330  0.378106590943  -0.164875727591  -0.495516792551  0.000646012026  0.003085669834  0.001127103211
  26  Al  5.992412520183  4.182794945040  1.927469828568  0.408351017586  -0.440671825711  0.456520782464  -0.000577888350  0.001929060229  -0.000421245703
  27  Al  6.002335345462  6.131837644230  0.117227043446  -0.005540843391  -0.260699856727  -0.903788272084  -0.001829820160  0.000031831280  -0.000881715025
  28  Al  4.080367018167  4.128320085621  4.153266809347  -0.115588659834  -0.050619148573  -0.171786726492  0.000225059692  0.001863598298  0.001218394128
  29  Al  3.945743667917  6.118469490067  6.288028255453  0.348075671172  -0.062480947386  -0.213069825427  -0.000180365952  0.000662168189  0.003967065865
  30  Al  6.112771174193  3.919411975260  6.096989794690  -0.132604343511  0.765253127226  -0.372997502825  0.000365814250  -0.000115973518  -0.000833199758
  31  Al  6.202308442696  6.024966868498  4.010349744386  -0.324291438004  0.213059420838  0.066162611873  0.001538874562  -0.000167930035  -0.001420302689


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)
  -65.134856836744  -0.102038786345  2.234832459096
  -0.102038786345  -66.908255312859  -0.799681900826
  2.234832459096  -0.799681900826  -58.028949269429
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.969525729814  8.053001733074  7.997778966556  0.412861010223  0.004410954053  0.053141628573  -0.001064316822  -0.001033890047  -0.002984544332
  1  Al  8.053241497847  1.932982620048  1.870606838344  0.193835870662  0.278394790347  0.133720785938  0.000245645088  -0.000908717600  -0.003411401522
  2  Al  1.936119477610  7.969540208931  1.968773573205  -0.001896233233  0.719111043418  0.293175875955  -0.001999907949  -0.000417034273  0.000140561418
  3  Al  1.920002779763  1.968569056310  8.040469004931  0.013871318906  -0.042977335810  0.158676646579  -0.002643173334  -0.001700413622  -0.001795607044
  4  Al  0.055791155066  7.989827913703  4.232547927506  0.087564318616  0.314932061471  -0.759007385474  0.002379050186  -0.001496662281  0.000724390080
  5  Al  0.019962842189  2.011047209862  6.142914036159  -0.079582547423  -0.058249201591  -0.368985695499  0.000320462781  -0.000830419395  0.000028904131
  6  Al  1.975357276319  0.008538612707  6.055542908407  0.230017787009  -0.066568258445  0.212654122412  -0.000733757912  0.000887845990  0.000522713112
  7  Al  2.005844099261  2.040387131405  4.145749099286  -0.029569508404  -0.135737660479  -0.306534200774  -0.000759407623  -0.000451899109  0.001476204037
  8  Al  8.030613807348  4.166908064503  7.923031516644  0.042640027593  -0.332756584268  0.493471582575  -0.001676696256  0.001163372948  -0.002072630329
  9  Al  0.041760058212  6.052806219307  2.025892572259  -0.209907329125  0.002425553598  -0.009506593224  0.000259296610  -0.000606189966  0.000408888290
  10  Al  2.094157277146  3.941214882775  2.041153097031  -0.324885366327  0.237404813686  0.300670815976  0.000075275479  -0.000344693955  0.002326890159
  11  Al  2.040792917442  6.124411981348  0.183166694500  -0.056722762630  -0.173528888529  -0.512322648350  -0.000320629284  0.000680443590  0.003214259186
  12  Al  8.059558895638  4.096368825708  3.949347014699  0.336631095213  -0.329243983781  0.221162184277  0.001188522417  -0.000080677773  -0.001008065844
  13  Al  0.005707578578  6.021347595569  5.959766894016  -0.112509567367  0.044519752449  0.426689264351  -0.000405707692  -0.001156356357  -0.000887480461
  14  Al  1.980248576893  3.967051745043  6.106351155968  0.031345130688  0.177610938178  -0.320405040943  -0.001427398582  -0.002096636296  -0.000924831851
  15  Al  2.125726249116  6.075952188672  3.906423427202  -0.420219896441  -0.219966030164  0.605240725229  0.000025573855  -0.001142425131  -0.001364287760
  16  Al  4.228168842911  0.175102046977  0.027328480711  -0.157646253079  -0.524606970697  0.085531848025  0.003959439465  0.002395239081  0.001813195303
  17  Al  3.886854799730  1.880748329265  2.000619625344  0.385797038802  0.321113423532  0.155135521648  -0.001630951477  -0.002103611878  -0.000137465564
  18  Al  6.173311090757  7.952924392692  1.862500051987  -0.171105505057  0.609916387807  0.455431817235  0.000746872129  -0.001507950086  -0.001966921549
  19  Al  6.102989129459  2.154198203816  7.901199415597  -0.035333491653  -0.625621451373  0.903033534314  -0.000283986075  -0.000084729559  -0.001424704333
  20  Al  4.080372376668  0.152926164059  4.065403466261  -0.232748434852  -0.446689557709  0.131588863579  -0.000556785448  0.001230770859  0.000617813172
  21  Al  4.096938050831  1.990928179753  6.137727157849  -0.098392718325  0.228289474139  -0.066370175079  0.001047381492  0.000418778251  0.001947081572
  22  Al  6.075539971128  0.053163216458  6.114190344492  -0.138898553318  -0.048058501011  0.018474162134  -0.000419816200  0.002098773110  0.001519741685
  23  Al  6.193567874099  2.054036920387  4.036714184265  -0.192572767011  0.011149023328  0.027286369482  0.001602765918  0.000729894978  0.000706613081
  24  Al  4.104895791198  4.017744501189  0.147164728444  -0.036833164128  0.057567868672  -0.697922118428  0.001784369459  -0.000930889191  0.000066794127
  25  Al  4.007174926267  6.240302310781  2.163482981513  0.379771797463  -0.164295705820  -0.499278906128  0.000713765808  0.003056242145  0.001038169192
  26  Al  5.992141829152  4.183739777283  1.927279612031  0.413361603115  -0.445944599188  0.458288261160  -0.000504427833  0.001849797359  -0.000339462433
  27  Al  6.001420187708  6.131841906680  0.116745786923  -0.003911009846  -0.260603231448  -0.909306465222  -0.001830665149  -0.000014772841  -0.001043804390
  28  Al  4.080474381241  4.129249622112  4.153868327606  -0.114625327313  -0.052319778281  -0.169024879064  0.000204478727  0.001854395632  0.001187925816
  29  Al  3.945669043798  6.118797781285  6.290002264241  0.345757669655  -0.061900540513  -0.211874497686  -0.000118337751  0.000651048574  0.003929076148
  30  Al  6.112948153951  3.919388195041  6.096556521957  -0.132132066820  0.768806644152  -0.374163126906  0.000342147005  0.000021170322  -0.000899995380
  31  Al  6.203063384266  6.024892427159  4.009642550487  -0.323962165592  0.213415550279  0.071327723338  0.001480921156  -0.000129803479  -0.001408011152


