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)
  -83.336957341345  -0.000381561009  0.000091526179
  -0.000381561009  -83.337528205938  -0.001000840632
  0.000091526179  -0.001000840632  -83.333249838334
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.097783711899  8.099355498429  8.098995829026  0.006559393438  -0.000134747762  -0.004163577923  -0.004424526377  -0.001281522578  -0.002001228242
  1  Al  8.098949512342  2.023499414492  2.023008947464  0.006149621574  0.002978260351  -0.000036654997  -0.002092940469  -0.002999056487  -0.003980269186
  2  Al  2.023739017984  8.097951425702  2.023881463966  0.002544604571  0.000068649202  0.004159394701  -0.002519883820  -0.004089675928  -0.002234844849
  3  Al  2.023656185469  2.024375027668  8.099653553723  0.001571091112  -0.001172947766  -0.007780627560  -0.002685637423  -0.001248184988  -0.000686089995
  4  Al  0.000336337686  8.098419542192  4.053209214523  0.004486654342  0.001432916776  -0.009238585611  0.000673082727  -0.003153312288  0.006421415016
  5  Al  0.000288801365  2.024971590016  6.076215903197  -0.000811615103  -0.001504285758  -0.002800984759  0.000577535536  -0.000055078834  0.002437207007
  6  Al  2.024439888309  8.099643054998  6.074529725625  -0.002952271293  0.007076912396  0.002318588173  -0.001118621574  -0.000705759375  -0.000934721766
  7  Al  2.024851389563  2.025447606255  4.051224429264  -0.001496620734  -0.004078774630  0.001048114178  -0.000295481287  0.000896732327  0.002452727265
  8  Al  8.099135220992  4.051937704886  8.097240809218  0.000518988072  -0.005503664189  0.005561924034  -0.001722023100  0.003878706028  -0.005510430997
  9  Al  0.000627404404  6.074739352292  2.024783549288  0.000854277383  0.000388465582  0.002906928325  0.001254896835  -0.000515637092  -0.000430769419
  10  Al  2.026228138038  4.047679525522  2.024658778750  -0.002809936751  0.014439660686  0.004468385698  0.002457923826  -0.004635948860  -0.000680173218
  11  Al  2.025498093770  6.075660677257  0.002251169361  -0.005072829481  0.001598679111  0.004043328095  0.000997619427  0.001327138144  0.004502742011
  12  Al  8.098841373719  4.050725775900  4.048226133056  0.007398093966  0.001227453588  0.007208397195  -0.002309108110  0.001455427307  -0.003543370114
  13  Al  0.000177022426  6.074269230784  6.073124006661  0.001077588121  0.001538145377  0.005383064967  0.000354144476  -0.001455786058  -0.003745911840
  14  Al  2.024669485306  4.049232817319  6.075825824900  -0.004486393480  -0.004439541387  -0.002927325402  -0.000659560465  -0.001531024217  0.001657031872
  15  Al  2.026986480079  6.075309375769  4.047957981300  -0.008682794398  -0.002856136594  -0.001477392308  0.003974096960  0.000624130383  -0.004080455118
  16  Al  4.052321493574  0.002483393775  8.099877083162  -0.002268411908  -0.000749775776  0.005997490632  0.004646579764  0.004966766648  -0.000237795200
  17  Al  4.047206551266  2.022828073610  2.024670162396  0.010333617325  0.003501860957  -0.001035720694  -0.005582273238  -0.004341703910  -0.000657897782
  18  Al  6.076869679113  8.097912229950  2.022514077710  -0.008572935363  -0.000529868962  0.002914064344  0.003744254971  -0.004168121668  -0.004969754091
  19  Al  6.075808520270  2.027431458463  8.096994516862  -0.007555265701  -0.007679005650  0.000566794003  0.001622008553  0.004864151732  -0.006003466848
  20  Al  4.050726688167  0.002650111085  4.050249316654  -0.002925563185  -0.008682758381  -0.001132404036  0.001456880578  0.005299495156  0.000502288993
  21  Al  4.050531097721  2.024245007768  6.075491783194  0.000870577050  0.002241368368  0.005626079524  0.001066035427  -0.001507921964  0.000989706932
  22  Al  6.075017844167  0.000164888402  6.075269237122  0.000841714359  0.007608896856  0.003236198063  0.000041392351  0.000330460102  0.000544396999
  23  Al  6.076926585312  2.025381617860  4.049277221962  -0.005827098033  -0.001394743026  0.008594759390  0.003858313903  0.000764994264  -0.001441048838
  24  Al  4.050454356828  4.049749511471  0.002707355282  0.002984602470  -0.001682015316  -0.008242006100  0.000912741211  -0.000497379793  0.005414024016
  25  Al  4.049112329185  6.077407531511  2.027282080785  0.001238098194  -0.004946095264  -0.005184845611  -0.001771495142  0.004820293997  0.004565616580
  26  Al  6.073746430789  4.051786307971  2.023333693674  -0.000398881280  0.001586945243  0.001821344823  -0.002501568930  0.003576543286  -0.003330604630
  27  Al  6.074031107264  6.076089231556  0.002193314799  0.001934125550  -0.003878498197  -0.004283880114  -0.001932002121  0.002183765043  0.004386287358
  28  Al  4.050513970294  4.051007449770  4.051840695044  -0.001474052534  -0.000903450199  -0.008941344172  0.001031570645  0.002018589776  0.003684377212
  29  Al  4.047864670841  6.075687536624  6.078191135905  0.012038916950  -0.001539109301  -0.007868056607  -0.004265869409  0.001380576858  0.006387256117
  30  Al  6.075573917837  4.047803682413  6.075436845917  -0.000779727688  0.002908322881  0.003701282149  0.001153405063  -0.004388663675  0.000879659279
  31  Al  6.077026659015  6.074090559934  4.049820375133  -0.005287567546  0.003078880782  -0.004442732400  0.004058511401  -0.001812993335  -0.000355897960


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)
  -83.326189436718  -0.001401348778  0.000261152449
  -0.001401348778  -83.328143112686  -0.004230280234
  0.000261152449  -0.004230280234  -83.310838502656
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.095571741913  8.098714731117  8.097995028795  0.011471607831  0.000341577353  -0.009523763096  -0.004423067310  -0.001281548387  -0.002002521102
  1  Al  8.097903316993  2.022000019375  2.021018811233  0.011806156947  0.005428970938  0.000068003698  -0.002091407529  -0.002998408533  -0.003980403974
  2  Al  2.022479189817  8.095906590807  2.022764227464  0.005928000758  -0.001620797675  0.009392568609  -0.002519213457  -0.004089956066  -0.002233710526
  3  Al  2.022313436984  2.023750882744  8.099310160935  0.004091022015  -0.002942007100  -0.017267380782  -0.002685224054  -0.001248596022  -0.000688353063
  4  Al  0.000673079602  8.096842950099  4.056419509069  0.009338862741  0.001654336446  -0.017372670433  0.000674342029  -0.003153145284  0.006419257883
  5  Al  0.000577532854  2.024943983358  6.077434381497  -0.002655853556  -0.002963303222  -0.005572480092  0.000577245500  -0.000055480151  0.002436542649
  6  Al  2.023880445556  8.099290491646  6.074062468382  -0.005791640659  0.015642461959  0.003399628686  -0.001119441969  -0.000703752606  -0.000934242856
  7  Al  2.024703582021  2.025895790099  4.052450839747  -0.002326328320  -0.007945183657  0.003810500354  -0.000295833282  0.000895688355  0.002453246423
  8  Al  8.098274232640  4.053876811889  8.094485842335  -0.000704761072  -0.010674682838  0.009837825809  -0.001722099235  0.003877393725  -0.005509244708
  9  Al  0.001254891008  6.074481551111  2.024568294517  0.001820883066  0.000790597861  0.007377251235  0.001255179380  -0.000515549505  -0.000429864880
  10  Al  2.027456974348  4.045362196540  2.024318891877  -0.004353518560  0.029878944758  0.010196850214  0.002457368362  -0.004632146927  -0.000678885623
  11  Al  2.025996676730  6.076324317789  0.004502721102  -0.009633041920  0.003876026158  0.010868716976  0.000996339173  0.001327673472  0.004504230834
  12  Al  8.097687150356  4.051453544421  4.046454770212  0.014894045037  0.003182592361  0.015013535720  -0.002307194961  0.001455871887  -0.003541505908
  13  Al  0.000354142831  6.073541406510  6.071251291363  0.000964341532  0.002717428601  0.008664038690  0.000354339271  -0.001455455924  -0.003744785485
  14  Al  2.024339504534  4.048467106765  6.076654209985  -0.009170424458  -0.011280341642  -0.007814450070  -0.000660804217  -0.001532482536  0.001656128812
  15  Al  2.028973140441  6.075621313292  4.045917687702  -0.016946920572  -0.005439625726  -0.004937078281  0.003971942979  0.000623410297  -0.004081169641
  16  Al  4.054644682059  0.004966743584  8.099758453648  -0.003399437738  0.000161240069  0.012794581520  0.004646233668  0.004966885723  -0.000236123365
  17  Al  4.044415876556  2.020657378187  2.024341167209  0.020071139749  0.006362453577  -0.002096045182  -0.005579747949  -0.004340972102  -0.000658200511
  18  Al  6.078741423391  8.095828145431  2.020029330923  -0.017861327157  -0.003005148755  0.005292573710  0.003742021117  -0.004168581791  -0.004969192193
  19  Al  6.076619186828  2.029863191080  8.093992808773  -0.015428379637  -0.014847441411  -0.001489378372  0.001620009830  0.004862305958  -0.006003756858
  20  Al  4.051454997684  0.005299470547  4.050500410532  -0.006273039639  -0.017073738455  -0.002895891871  0.001456108562  0.005297375658  0.000501946216
  21  Al  4.051064154349  2.023491146974  6.075986888144  0.002356551776  0.004606572166  0.011050797837  0.001066360791  -0.001507361868  0.000991232097
  22  Al  6.075038577967  0.000330458568  6.075541580279  0.002281832166  0.017131339790  0.006620040534  0.000041673034  0.000332683361  0.000545296989
  23  Al  6.078855481794  2.025764052648  4.048557081725  -0.011796259573  -0.002289649355  0.019417947342  0.003856871708  0.000764691315  -0.001438594250
  24  Al  4.050910860844  4.049500746389  0.005413998876  0.007476853769  -0.004773415667  -0.014954901741  0.000913708042  -0.000497974117  0.005412137310
  25  Al  4.048226636956  6.079817457421  2.029564657315  0.002462290471  -0.009041648423  -0.008916969905  -0.001771225555  0.004819210088  0.004564513669
  26  Al  6.072495628494  4.053574650549  2.021668472773  -0.002252504611  0.004939285991  0.003572271244  -0.002501892445  0.003577250380  -0.003330237560
  27  Al  6.073065192658  6.077180940710  0.004386266990  0.003381288020  -0.007704716157  -0.007092557122  -0.001931593696  0.002182804965  0.004385421903
  28  Al  4.051029689726  4.052016704275  4.053682483975  -0.002844987392  -0.001875947509  -0.017774307083  0.001031220172  0.002018411070  0.003682116132
  29  Al  4.045732274272  6.076377756255  6.081384412265  0.024159349296  -0.002665490014  -0.016397750664  -0.004262780661  0.001380248681  0.006385307491
  30  Al  6.076150585515  4.045609480576  6.075876841002  -0.000916295631  0.003478222881  0.007012041799  0.001153293306  -0.004388244410  0.000880647484
  31  Al  6.079055678363  6.073184200891  4.049642227565  -0.010149504677  0.005951086695  -0.010283549283  0.004057271586  -0.001812248707  -0.000357226827


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)
  -83.307604469310  -0.002449352939  0.000291702696
  -0.002449352939  -83.312352645297  -0.009846313552
  0.000291702696  -0.009846313552  -83.273703311670
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.093360721034  8.098073972192  8.096993342535  0.017907472336  0.000790894848  -0.012799932294  -0.004420765671  -0.001281541310  -0.002004664123
  1  Al  8.096858140959  2.020501057782  2.019028612286  0.019034809780  0.011270512301  0.000942881235  -0.002088803850  -0.002997135835  -0.003980606089
  2  Al  2.021219848068  8.093861540325  2.021647792046  0.008159632062  -0.002589657269  0.015997141262  -0.002518139061  -0.004090633050  -0.002231604678
  3  Al  2.020971007825  2.023126453226  8.098965212557  0.004729250409  -0.001258624358  -0.024146944635  -0.002684632789  -0.001249063334  -0.000692106329
  4  Al  0.001010668060  8.095266451405  4.059628361458  0.015603101603  0.002148686774  -0.027139776034  0.000676621539  -0.003153036975  0.006415749919
  5  Al  0.000866036888  2.024916110823  6.078652403734  -0.002905218083  -0.001846780194  -0.009805286728  0.000576790726  -0.000055914278  0.002435346832
  6  Al  2.023320465687  8.098939314555  6.073595498916  -0.010080002073  0.024200232972  0.002884480089  -0.001120943247  -0.000700242150  -0.000933749671
  7  Al  2.024555561393  2.026343279129  4.053677633287  -0.004027208968  -0.009465309552  0.004489576000  -0.000296423065  0.000894197573  0.002454168771
  8  Al  8.097413151520  4.055815031597  8.091731659728  0.000250724703  -0.016586894155  0.016085713311  -0.001722266375  0.003875241305  -0.005507331831
  9  Al  0.001882562091  6.074223811698  2.024353691838  0.003475824856  -0.001702722186  0.013011319018  0.001255745172  -0.000515668939  -0.000428073610
  10  Al  2.028685463928  4.043047458654  2.023979904861  -0.007208260176  0.044710003221  0.017051388503  0.002456515247  -0.004625818626  -0.000676499358
  11  Al  2.026494415723  6.076988327782  0.006755322347  -0.015398459036  0.002562110210  0.018389689718  0.000994174425  0.001328346641  0.004507177694
  12  Al  8.096534218634  4.052181622625  4.044684688358  0.022919860478  0.004932924023  0.020783281044  -0.002303983718  0.001456704444  -0.003538565705
  13  Al  0.000531355573  6.072813800016  6.069379285900  0.002592099952  0.001319888828  0.010913148757  0.000354683276  -0.001455201916  -0.003743310349
  14  Al  2.024008692511  4.047700361269  6.077481925088  -0.014955274714  -0.017363442898  -0.013028201636  -0.000663009753  -0.001535156070  0.001654387056
  15  Al  2.030958354410  6.075932775291  4.043876882195  -0.026550148278  -0.010635304692  -0.009607137793  0.003968345959  0.000622018914  -0.004082769878
  16  Al  4.056967646940  0.007450193653  8.099640963878  -0.005020266768  0.000522056640  0.021074732177  0.004645822319  0.004967311798  -0.000233112601
  17  Al  4.041626899754  2.018487176535  2.024011973261  0.028523690077  0.012482624670  -0.001940874003  -0.005575813307  -0.004339606231  -0.000658609802
  18  Al  6.080611635555  8.093743720206  2.017544971402  -0.025988918161  -0.004927969462  0.008703625085  0.003738375625  -0.004169597380  -0.004968306005
  19  Al  6.077428502100  2.032293680384  8.090990863769  -0.022510823824  -0.019876965331  -0.001097564173  0.001616736887  0.004859558693  -0.006004429323
  20  Al  4.052182771563  0.007947395186  4.050751254195  -0.011374054830  -0.024976213594  -0.006168810970  0.001454637809  0.005294005416  0.000501172664
  21  Al  4.051597440081  2.022737671952  6.076482998159  0.003078268777  0.009719070642  0.015093578104  0.001066925055  -0.001506191838  0.000993642396
  22  Al  6.075059516481  0.000497566013  6.075814524686  0.004458824798  0.026840312568  0.008996524564  0.000042278751  0.000336639131  0.000546733271
  23  Al  6.080783390360  2.026146295959  4.047838652575  -0.016809852579  -0.000155567679  0.028192416644  0.003854597571  0.000764528891  -0.001434443318
  24  Al  4.051368049078  4.049251545960  0.008119399052  0.010156884080  -0.007647456778  -0.020600416238  0.000915351744  -0.000499121209  0.005409356160
  25  Al  4.047341134242  6.082226658307  2.031846515564  0.002734522558  -0.016380439540  -0.011799022065  -0.001770891086  0.004817291337  0.004562996954
  26  Al  6.071244581586  4.055363496524  2.020003513672  -0.002399220182  0.007875456648  0.007288826491  -0.002502492184  0.003578658962  -0.003329511232
  27  Al  6.072099546952  6.078271998794  0.006578660907  0.005686882801  -0.013802319828  -0.008278211313  -0.001930924889  0.002181042510  0.004384369923
  28  Al  4.051545172642  4.053025825956  4.055522747536  -0.005184937357  -0.002840707027  -0.028430361207  0.001030578027  0.002018137694  0.003678255739
  29  Al  4.043601963856  6.077067761449  6.084576333037  0.034738273251  -0.007001426120  -0.025440502207  -0.004257828113  0.001379485828  0.006382036122
  30  Al  6.076727191210  4.043415513846  6.076317478180  -0.000265913129  0.004296715770  0.008400790097  0.001153272357  -0.004387871749  0.000882090195
  31  Al  6.081083860477  6.072278342549  4.049463154480  -0.013371564365  0.005386310550  -0.018016070802  0.004055466807  -0.001811368247  -0.000359783229


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)
  -83.281661244745  -0.004259040641  0.000500143518
  -0.004259040641  -83.289829991865  -0.017567320482
  0.000500143518  -0.017567320482  -83.220976026431
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.091151138656  8.097433236889  8.095990438321  0.023535789166  0.001266762720  -0.018117036044  -0.004417613241  -0.001281517653  -0.002007679204
  1  Al  8.095814589883  2.019002993652  2.017038351388  0.024750985017  0.013660036472  0.000085883417  -0.002085150248  -0.002995281720  -0.003981012074
  2  Al  2.019961143271  8.091816108043  2.020532704773  0.011847136330  -0.003324312092  0.020063165259  -0.002516665261  -0.004091673552  -0.002228659680
  3  Al  2.019628902826  2.022501865299  8.098618080033  0.007003583340  -0.003341519492  -0.033296407185  -0.002683919595  -0.001249630891  -0.000697328947
  4  Al  0.001349676282  8.093690028963  4.062835023280  0.020177836032  0.002700881212  -0.035187568687  0.000679905374  -0.003152997813  0.006410979803
  5  Al  0.001154302389  2.024888071134  6.079869638857  -0.004255484478  -0.004029291905  -0.011960362793  0.000576222640  -0.000056446655  0.002433705414
  6  Al  2.022759543491  8.098590275222  6.073128753016  -0.012678112975  0.032782648369  0.005217909044  -0.001123118289  -0.000695234884  -0.000933142043
  7  Al  2.024407169846  2.026789954820  4.054904918355  -0.004484340356  -0.013785857843  0.007185178252  -0.000297221168  0.000892230538  0.002455519629
  8  Al  8.096552029540  4.057751910821  8.088978712839  -0.000536827051  -0.022285103445  0.020417049371  -0.001722507408  0.003872250528  -0.005504757060
  9  Al  0.002510590045  6.073965901117  2.024140236634  0.003869076369  -0.000826727970  0.016273586918  0.001256558975  -0.000515959607  -0.000425508785
  10  Al  2.029913399345  4.040736547862  2.023642417372  -0.008626479175  0.059675355631  0.022022634270  0.002455406762  -0.004617064165  -0.000673090361
  11  Al  2.026990814630  6.077652615628  0.009009733206  -0.019681779568  0.004924911387  0.023929774115  0.000991162254  0.001329182234  0.004511525338
  12  Al  8.095383251285  4.052910195347  4.042916334510  0.030216045032  0.006370298279  0.028665305738  -0.002299521037  0.001457897302  -0.003534587153
  13  Al  0.000708813077  6.072086258057  6.067508118539  0.002538083552  0.003216287526  0.015370391667  0.000355186338  -0.001454978378  -0.003741428608
  14  Al  2.023676519139  4.046932007094  6.078308536260  -0.019179548221  -0.023713563230  -0.016667094265  -0.000666144705  -0.001539020830  0.001651938947
  15  Al  2.032941340607  6.076243309354  4.041835067821  -0.034573909231  -0.012925546743  -0.012000012007  0.003963377263  0.000619990141  -0.004085212531
  16  Al  4.059290333695  0.009933872887  8.099525349611  -0.006011247649  0.000824559819  0.027231877270  0.004645417172  0.004968053602  -0.000228822647
  17  Al  4.038840268099  2.016317931388  2.023682581604  0.038434412554  0.015208142079  -0.003801119525  -0.005570524077  -0.004337673265  -0.000659205588
  18  Al  6.082479661672  8.091658701237  2.015061207449  -0.035684058657  -0.006624082776  0.010799297397  0.003733329081  -0.004171151865  -0.004967183767
  19  Al  6.078235864318  2.034722571237  8.087988600047  -0.030963819344  -0.027983006445  -0.002465607107  0.001612157946  0.004855887434  -0.006005499053
  20  Al  4.052909582051  0.010593281466  4.051001564783  -0.014492257325  -0.033360795017  -0.007470375513  0.001452507063  0.005289451749  0.000500015874
  21  Al  4.052131040206  2.021985010472  6.076980494034  0.004921752226  0.011627730579  0.021413909983  0.001067773812  -0.001504471633  0.000997030851
  22  Al  6.075080855164  0.000667085331  6.076088293463  0.004948387438  0.036160319655  0.013050442317  0.000043125143  0.000342314160  0.000548772896
  23  Al  6.082709937751  2.026528553450  4.047122691107  -0.023348729249  -0.001702844139  0.038763588790  0.003851489177  0.000764458371  -0.001428636197
  24  Al  4.051826178959  4.049001643518  0.010823156301  0.014497672684  -0.010551762173  -0.028413752743  0.000917670628  -0.000500810848  0.005405650482
  25  Al  4.046455810932  6.084634571775  2.034127486629  0.004406305093  -0.020365063564  -0.016785989366  -0.001770474157  0.004814608540  0.004561011979
  26  Al  6.069993228249  4.057153178035  2.018339083864  -0.003991079798  0.010600752220  0.008711457121  -0.002503376602  0.003580758613  -0.003328497156
  27  Al  6.071134338709  6.079361903091  0.008770475835  0.006589409741  -0.017091359916  -0.011914390013  -0.001930068816  0.002178553137  0.004383112971
  28  Al  4.052060229891  4.054034767824  4.057360604578  -0.006455412663  -0.003512535136  -0.036860412995  0.001029666182  0.002017822113  0.003672878204
  29  Al  4.041474602588  6.077757191402  6.087766213916  0.046963132851  -0.007829183468  -0.032712296575  -0.004251055800  0.001378332388  0.006377635036
  30  Al  6.077303815502  4.041221770033  6.076758898790  -0.001180454331  0.005431934197  0.011941106358  0.001153287309  -0.004387550822  0.000884019321
  31  Al  6.083110996176  6.071372899192  4.049282457554  -0.018556067353  0.008801935208  -0.023490132470  0.004053119475  -0.001810326269  -0.000363539326


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)
  -83.248697052483  -0.006497203324  0.000809990926
  -0.006497203324  -83.261260692704  -0.027463243995
  0.000809990926  -0.027463243995  -83.153396121806
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.088943384077  8.096792534687  8.094985788894  0.029920099069  0.001606140205  -0.022828399195  -0.004413665805  -0.001281502237  -0.002011718680
  1  Al  8.094773121119  2.017505963391  2.015047849190  0.031083514740  0.017704911813  0.001151880220  -0.002080550635  -0.002993041570  -0.003981651515
  2  Al  2.018703340203  8.089770122671  2.019419271749  0.013920330112  -0.003693894962  0.025848290084  -0.002514835434  -0.004093072061  -0.002224974388
  3  Al  2.018287256086  2.021876900489  8.098267927223  0.007868941643  -0.003638492696  -0.041466222124  -0.002683095465  -0.001250490477  -0.000704145325
  4  Al  0.001690530911  8.092113650785  4.066038940310  0.025417212295  0.003454724848  -0.044002590343  0.000684110416  -0.003153041502  0.006405106906
  5  Al  0.001442223490  2.024859667699  6.081085956940  -0.004937648421  -0.004797145488  -0.016061594815  0.000575509199  -0.000057246516  0.002431658366
  6  Al  2.022197417639  8.098244123152  6.072662415233  -0.016529551152  0.040645574036  0.005883237652  -0.001125941548  -0.000688800215  -0.000932325248
  7  Al  2.024258358814  2.027235453866  4.056132999344  -0.006396657317  -0.016575842719  0.009009436075  -0.000298250108  0.000889683830  0.002457430367
  8  Al  8.095690751840  4.059687039949  8.086227246943  -0.000385898172  -0.027754127714  0.025586571441  -0.001722914476  0.003868505838  -0.005501680821
  9  Al  0.003139042479  6.073707884359  2.023928209665  0.004846988191  -0.001632174970  0.021184348042  0.001257575097  -0.000516276692  -0.000422239617
  10  Al  2.031140717125  4.038430683247  2.023306856596  -0.011761075398  0.074249195656  0.028590172219  0.002454046442  -0.004605959114  -0.000668691586
  11  Al  2.027485515989  6.078317426887  0.011266565527  -0.025203553155  0.005475911760  0.029295441549  0.000987335540  0.001330362684  0.004517134608
  12  Al  8.094234841413  4.053639428748  4.041150322263  0.038111783237  0.007609284305  0.035734643649  -0.002293844711  0.001459422005  -0.003529494759
  13  Al  0.000886519697  6.071358912635  6.065638091286  0.003325924381  0.003593801862  0.018262133661  0.000355777601  -0.001454643598  -0.003739126292
  14  Al  2.023342589467  4.046161436692  6.079133760720  -0.024447177858  -0.029328117108  -0.021857443853  -0.000670171156  -0.001544053600  0.001648805496
  15  Al  2.034921483798  6.076552726657  4.039791925159  -0.044035093701  -0.016755007182  -0.014187579213  0.003957095144  0.000617453042  -0.004088323875
  16  Al  4.061612773580  0.012417936546  8.099412155543  -0.007628065071  0.000799930661  0.033831668176  0.004645072903  0.004969134957  -0.000223405697
  17  Al  4.036056724065  2.014149774554  2.023352808901  0.047801046123  0.019728384549  -0.003719235439  -0.005563862855  -0.004335366696  -0.000660002239
  18  Al  6.084344731148  8.089572829211  2.012578098290  -0.043840596918  -0.007895618141  0.014799961544  0.003726921741  -0.004173236104  -0.004965830715
  19  Al  6.079040559220  2.037149264124  8.084985740309  -0.037810378289  -0.034740526993  -0.002595711925  0.001606312192  0.004851193902  -0.006007083194
  20  Al  4.053635187784  0.013236516125  4.051251238797  -0.018288009567  -0.041705490049  -0.009168072629  0.001449849665  0.005283736270  0.000498622343
  21  Al  4.052665147113  2.021233294411  6.077479966654  0.005933745159  0.015098672407  0.025751790856  0.001068945662  -0.001502365339  0.001001436089
  22  Al  6.075102638927  0.000839858764  6.076363263262  0.006822214402  0.045057223562  0.015219763273  0.000044185750  0.000349640818  0.000551404110
  23  Al  6.084634638659  2.026910706519  4.046410105727  -0.028468075929  -0.001692786686  0.048144036828  0.003847581631  0.000764298788  -0.001421134443
  24  Al  4.052285662314  4.048750766433  0.013524711457  0.017751961568  -0.013236349497  -0.035824014128  0.000920727176  -0.000503032254  0.005400925142
  25  Al  4.045570770813  6.087040965734  2.036407242291  0.005546934033  -0.025910507668  -0.020363788335  -0.001769917776  0.004811377944  0.004558549592
  26  Al  6.068741361549  4.058944031191  2.016675224685  -0.003992327628  0.012827951039  0.012224410721  -0.002504562142  0.003583528217  -0.003327252319
  27  Al  6.070169598845  6.080450415681  0.010961499752  0.008841697976  -0.021880730798  -0.015408067373  -0.001929052697  0.002175478894  0.004381495785
  28  Al  4.052574774428  4.055043521872  4.059195396034  -0.008279402415  -0.004266852177  -0.045737341668  0.001028542665  0.002017506716  0.003666184690
  29  Al  4.039351173923  6.078446007634  6.090953569206  0.057982770395  -0.010276049457  -0.041404159746  -0.004242472943  0.001376973198  0.006372209527
  30  Al  6.077880406391  4.039028237428  6.077201442214  -0.000799848441  0.007226926377  0.013361668937  0.001153327545  -0.004387245634  0.000886448367
  31  Al  6.085136726464  6.070468129500  4.049099637890  -0.022371803894  0.010701081225  -0.029255234142  0.004050223567  -0.001808923493  -0.000368324112


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)
  -83.208710445917  -0.009375850857  0.001017155317
  -0.009375850857  -83.226184688006  -0.039390266127
  0.001017155317  -0.039390266127  -83.070769875968
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.086737888592  8.096151855362  8.093978909133  0.034149133584  0.002091115291  -0.029043978181  -0.004409093734  -0.001281507602  -0.002016884681
  1  Al  8.093734235224  2.016010234009  2.013057074921  0.035137960681  0.019159831010  -0.000642321878  -0.002075174409  -0.002990529739  -0.003982649857
  2  Al  2.017446544719  8.087723421525  2.018307939965  0.018777778059  -0.004247580071  0.028973670006  -0.002512570819  -0.004094855330  -0.002220655402
  3  Al  2.016946060092  2.021251492611  8.097914001035  0.011332437923  -0.006514780067  -0.051413920917  -0.002682081879  -0.001251726263  -0.000712635532
  4  Al  0.002033722260  8.090537284459  4.069239526862  0.028568327572  0.004030464873  -0.051296191451  0.000689117310  -0.003153198820  0.006398264318
  5  Al  0.001729757379  2.024830830010  6.082301068176  -0.007685919719  -0.008090818862  -0.017389683022  0.000574531252  -0.000058414002  0.002429304594
  6  Al  2.021633708001  8.097901539887  6.072196515587  -0.017826689252  0.049201040884  0.009305748069  -0.001129308975  -0.000680946476  -0.000931211444
  7  Al  2.024108947831  2.027679554847  4.057362117246  -0.005556079949  -0.021883152688  0.012768694731  -0.000299397150  0.000886477979  0.002460022115
  8  Al  8.094829277352  4.061620052269  8.083477550243  -0.002540850737  -0.033198146764  0.029194533603  -0.001723627907  0.003864069563  -0.005498224575
  9  Al  0.003768046686  6.073449673055  2.023718036789  0.003739681242  0.000019868161  0.023481600941  0.001258672651  -0.000516556226  -0.000418356169
  10  Al  2.032367214630  4.036131022602  2.022973788773  -0.012320605621  0.089215938267  0.032581882644  0.002452536394  -0.004592549206  -0.000663396732
  11  Al  2.027978057169  6.078982853000  0.013526442327  -0.028174532280  0.008467896855  0.033789065569  0.000982821186  0.001331958372  0.004523960097
  12  Al  8.093089622640  4.054369479883  4.039387172209  0.043841664526  0.008999119510  0.044420449636  -0.002287117610  0.001461289804  -0.003523252434
  13  Al  0.001064557165  6.070631751477  6.063769344451  0.001321163822  0.006415520659  0.023699779315  0.000356286434  -0.001454129915  -0.003736354266
  14  Al  2.023006411109  4.045388098936  6.079957186448  -0.027099770506  -0.035738275701  -0.024545512561  -0.000674956329  -0.001550276833  0.001645088301
  15  Al  2.036898063017  6.076860704236  4.037747129042  -0.050837195730  -0.017984832334  -0.015565159823  0.003949648876  0.000614508395  -0.004092056321
  16  Al  4.063934969060  0.014902539781  8.099301964958  -0.007144925785  0.000760843290  0.039252209132  0.004644969706  0.004970577331  -0.000216928910
  17  Al  4.033276929327  2.011982973058  2.023022641534  0.059210582363  0.021426321182  -0.006531247161  -0.005555752316  -0.004332823176  -0.000661091904
  18  Al  6.086206232360  8.087485858228  2.010095844485  -0.054847075450  -0.009450741748  0.016249944021  0.003719073945  -0.004175881400  -0.004964356088
  19  Al  6.079842025205  2.039573308186  8.081982082685  -0.047144047002  -0.044025777260  -0.004279711124  0.001599136479  0.004845422290  -0.006009272948
  20  Al  4.054359295149  0.015876520040  4.051500140159  -0.020086557679  -0.050353158579  -0.009808391371  0.001446798228  0.005276889424  0.000497056145
  21  Al  4.053199885180  2.020482786647  6.077981835794  0.008920781076  0.016408721274  0.032872952416  0.001070554250  -0.001499941752  0.001006941029
  22  Al  6.075125036753  0.001016693215  6.076639645635  0.006281494392  0.053990595250  0.020077720535  0.000045369104  0.000358589612  0.000554705074
  23  Al  6.086557156962  2.027292780247  4.045701690526  -0.036144408985  -0.004043055101  0.059345951115  0.003842812564  0.000763986258  -0.001411894989
  24  Al  4.052746819408  4.048498658646  0.016223572708  0.023260471429  -0.016184856452  -0.044832601743  0.000924636015  -0.000505795063  0.005395128621
  25  Al  4.044686059872  6.089445496516  2.038685606833  0.008959928752  -0.028610538289  -0.026387991233  -0.001769084569  0.004807763969  0.004555564080
  26  Al  6.067488902022  4.060736368705  2.015012144952  -0.006469109721  0.015370580635  0.013064224681  -0.002506154278  0.003586989334  -0.003325863279
  27  Al  6.069205467718  6.081537177068  0.013151558909  0.008464991123  -0.024193198592  -0.020325276517  -0.001928010844  0.002171929205  0.004379449151
  28  Al  4.053088675674  4.056052084503  4.061026443936  -0.007926650373  -0.004722575020  -0.052865324920  0.001027363139  0.002017231806  0.003658328571
  29  Al  4.037232529261  6.079134034897  6.094137823219  0.071547253258  -0.010251686704  -0.047498090699  -0.004232002307  0.001375498567  0.006365930309
  30  Al  6.078457034410  4.036834937652  6.077645263659  -0.002909430629  0.008825013024  0.017163104657  0.001153298230  -0.004386960472  0.000889410384
  31  Al  6.087160838236  6.069564146088  4.048914168136  -0.028799800384  0.015110304068  -0.033816128469  0.004046709549  -0.001807089632  -0.000374060692


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)
  -83.161820141803  -0.012599824458  0.001506729989
  -0.012599824458  -83.184865071666  -0.053682900582
  0.001506729989  -0.053682900582  -82.972776490729
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.084534868179  8.095511195033  8.092969168537  0.042396021799  0.002247747163  -0.032962845373  -0.004403771517  -0.001281562305  -0.002023126743
  1  Al  8.092698218673  2.014515825578  2.011065721281  0.043416243808  0.024076148851  0.001159181095  -0.002068866213  -0.002987696290  -0.003983979538
  2  Al  2.016191098670  8.085675803995  2.017198907376  0.019660868561  -0.004840326291  0.035472608071  -0.002510001273  -0.004097082731  -0.002215659140
  3  Al  2.015605525709  2.020625338271  8.097555385085  0.010602902796  -0.005947091402  -0.058875842416  -0.002681046788  -0.001253273170  -0.000722744961
  4  Al  0.002379557909  8.088960865209  4.072436366100  0.035601359355  0.004305074237  -0.060817644548  0.000695094088  -0.003153542720  0.006390448396
  5  Al  0.002016679447  2.024801261352  6.083514943160  -0.006395395453  -0.008041922707  -0.022244189377  0.000573470444  -0.000059876936  0.002426599392
  6  Al  2.021068256667  8.097563265918  6.071731325829  -0.022826682304  0.057004666999  0.009078647975  -0.001133334760  -0.000671683732  -0.000929889034
  7  Al  2.023959000902  2.028121815667  4.058592699060  -0.008613006863  -0.023856189541  0.014055459133  -0.000300767728  0.000882693757  0.002463270878
  8  Al  8.093967349824  4.063550603105  8.080729742941  -0.000512011136  -0.038461239366  0.034701727667  -0.001724496394  0.003858995990  -0.005494409818
  9  Al  0.004397550173  6.073191395831  2.023509908324  0.006260273853  -0.001493139945  0.029235799916  0.001260001788  -0.000516866438  -0.000413786175
  10  Al  2.033592932101  4.033838735919  2.022643546806  -0.016676023060  0.104140251489  0.040102410436  0.002450790509  -0.004576843939  -0.000657125750
  11  Al  2.028468208371  6.079649210698  0.015789932735  -0.034809258393  0.007901851734  0.040035416528  0.000977528075  0.001333882479  0.004532125145
  12  Al  8.091948023542  4.055100527042  4.037627531570  0.053411131207  0.010408674880  0.050828287240  -0.002279210418  0.001463530285  -0.003515951518
  13  Al  0.001242759438  6.069904973291  6.061902226689  0.003531124999  0.005775839220  0.025573983464  0.000356843463  -0.001453542005  -0.003733238520
  14  Al  2.022667721595  4.044611363031  6.080778633423  -0.033678507066  -0.041208795563  -0.030485674886  -0.000680624921  -0.001557693803  0.001640735189
  15  Al  2.038870615051  6.077167154517  4.035700405125  -0.061499170924  -0.022566130410  -0.018396280760  0.003940967119  0.000611094212  -0.004096507199
  16  Al  4.066257134538  0.017387862456  8.099195255062  -0.010237531978  0.000231162262  0.046692463298  0.004645019908  0.004972383254  -0.000209317807
  17  Al  4.030501699861  2.009817519219  2.022691803637  0.066524290777  0.026706424253  -0.005628561237  -0.005546427196  -0.004330015536  -0.000662407748
  18  Al  6.088063317687  8.085397495083  2.007614392808  -0.061850309971  -0.011248370184  0.021248645187  0.003709922523  -0.004179175186  -0.004962717641
  19  Al  6.080639486123  2.041994051394  8.078977254909  -0.052734504772  -0.050139171639  -0.003841657677  0.001590756784  0.004838675072  -0.006012075294
  20  Al  4.055081796401  0.018512713983  4.051748229799  -0.025834687179  -0.059011677297  -0.012272646393  0.001443191315  0.005268931939  0.000495253154
  21  Al  4.053735561061  2.019733549234  6.078486775718  0.008393540384  0.020898706183  0.036354307204  0.001072472522  -0.001497123534  0.001013479907
  22  Al  6.075148002085  0.001198401381  6.076917895639  0.009258201666  0.062727291853  0.021486410578  0.000046774496  0.000369151595  0.000558613798
  23  Al  6.088476947602  2.027674592652  4.044998395774  -0.040084730096  -0.003105883018  0.068251897593  0.003837322974  0.000763610865  -0.001400971666
  24  Al  4.053210177150  4.048245037658  0.018919133018  0.024854494763  -0.018600789698  -0.051816544036  0.000929258383  -0.000509080688  0.005388349151
  25  Al  4.043801918093  6.091848099620  2.040962209339  0.008477867434  -0.034907823580  -0.029286602183  -0.001768136278  0.004803744471  0.004552158923
  26  Al  6.066235535716  4.062530550431  2.013349797279  -0.005165494068  0.018165320212  0.017836558900  -0.002508060574  0.003591227669  -0.003324248817
  27  Al  6.068241840678  6.082622060243  0.015340374952  0.011686683961  -0.029756183161  -0.023183212587  -0.001926874755  0.002167854849  0.004377071167
  28  Al  4.053602002925  4.057060489309  4.062853245160  -0.011373128425  -0.004895855118  -0.062266990281  0.001025992084  0.002017068531  0.003649296128
  29  Al  4.035119726244  6.079821325934  6.097318665226  0.080663482772  -0.013573475640  -0.056718264463  -0.004219852124  0.001373843078  0.006358809490
  30  Al  6.079033553475  4.034641851891  6.078090736036  -0.001303760020  0.010933753373  0.017280004797  0.001153319879  -0.004386709025  0.000892797906
  31  Al  6.089182905670  6.068661276697  4.048725626221  -0.031144286426  0.016131151851  -0.040596852866  0.004042746774  -0.001804920007  -0.000380844685


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)
  -83.107431302374  -0.016237425616  0.001728954668
  -0.016237425616  -83.137008067532  -0.070069421808
  0.001728954668  -0.070069421808  -82.859903209617
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.082334877508  8.094870514354  8.091956131738  0.047357071565  0.003014187281  -0.037779677389  -0.004397671693  -0.001281652631  -0.002030339373
  1  Al  8.091665726257  2.013023053628  2.009073783327  0.048277729226  0.026926615626  0.000153134969  -0.002061570802  -0.002984442411  -0.003985605971
  2  Al  2.014936976867  8.083627046269  2.016092663419  0.023250449956  -0.004636884534  0.039169563009  -0.002507261991  -0.004099723668  -0.002209953067
  3  Al  2.014265476261  2.019998435853  8.097191380875  0.012679835714  -0.007603097291  -0.067074330452  -0.002680137923  -0.001255033640  -0.000734326093
  4  Al  0.002728696321  8.087384286285  4.075628871772  0.039326477184  0.005061335306  -0.069485520020  0.000702099760  -0.003154085323  0.006381591415
  5  Al  0.002303128797  2.024770963413  6.084727248549  -0.008326912930  -0.010339390323  -0.024352171527  0.000572404714  -0.000061547140  0.002423494021
  6  Al  2.020500568942  8.097229972141  6.071266787124  -0.025042270757  0.065387804236  0.011897551808  -0.001138112149  -0.000661031142  -0.000928419973
  7  Al  2.023808232039  2.028562096183  4.059824962773  -0.008939517780  -0.027796554142  0.016205245037  -0.000302469245  0.000878460377  0.002467055532
  8  Al  8.093105078740  4.065478381896  8.077984089187  -0.001846623724  -0.044136128835  0.039634861810  -0.001725462166  0.003853297712  -0.005490166198
  9  Al  0.005027830899  6.072932895869  2.023304322066  0.005408678432  -0.001012756369  0.032207254961  0.001261596948  -0.000517316796  -0.000408471921
  10  Al  2.034817581943  4.031554968982  2.022316776495  -0.018590337502  0.118285824302  0.045042635999  0.002448709064  -0.004558953808  -0.000649798139
  11  Al  2.028955416446  6.080316505147  0.018057784876  -0.038730927078  0.009530960558  0.045186632517  0.000971378625  0.001336025488  0.004541731001
  12  Al  8.090810805791  4.055832757449  4.035871827817  0.059904188154  0.011277735602  0.057895756443  -0.002270073296  0.001466110476  -0.003507766359
  13  Al  0.001421339009  6.069178460466  6.060036750577  0.002300072794  0.007352610120  0.030183443436  0.000357521188  -0.001453004039  -0.003729885719
  14  Al  2.022325903717  4.043830674111  6.081597638319  -0.037450348312  -0.047298292310  -0.033892031128  -0.000687284485  -0.001566291546  0.001635695506
  15  Al  2.040838349619  6.077471692926  4.033651329218  -0.069462581776  -0.025101324596  -0.020306161641  0.003930979086  0.000607098389  -0.004101761743
  16  Al  4.068579186878  0.019874064416  8.099092683295  -0.010143157528  0.000250641511  0.053257201816  0.004645230237  0.004974602779  -0.000200470087
  17  Al  4.027731459875  2.007653705218  2.022360348169  0.077076989410  0.029730223781  -0.007682265752  -0.005536011421  -0.004326863198  -0.000663888186
  18  Al  6.089915514262  8.083307404692  2.005133983794  -0.071630806115  -0.012357715175  0.023563707493  0.003699608033  -0.004183115719  -0.004960881898
  19  Al  6.081432507302  2.044411147727  8.075971045541  -0.060976475372  -0.058585722892  -0.003754483494  0.001581282936  0.004831068799  -0.006015386192
  20  Al  4.055802237258  0.021144542152  4.051995307794  -0.028284235755  -0.067290876114  -0.014061019116  0.001438982696  0.005259941873  0.000493114687
  21  Al  4.054272172510  2.018985921632  6.078995140696  0.010944901330  0.023237449022  0.042716490707  0.001074671547  -0.001493831364  0.001020995478
  22  Al  6.075171803172  0.001385781066  6.077198162972  0.009619252314  0.071881681012  0.025622906557  0.000048483339  0.000381352387  0.000563071688
  23  Al  6.090393817316  2.028056259253  4.044300960777  -0.046709733735  -0.004340459992  0.077837297123  0.003831239827  0.000763279111  -0.001388518892
  24  Al  4.053675917329  4.047989665865  0.021610991412  0.029661062796  -0.021849698899  -0.059672671002  0.000934540908  -0.000512921342  0.005380736237
  25  Al  4.042918228911  6.094248411488  2.043236979700  0.011565157298  -0.038736090251  -0.034863264082  -0.001767117582  0.004799260496  0.004548413960
  26  Al  6.064981274533  4.064326976249  2.011688470158  -0.006254824478  0.020235051290  0.019825375011  -0.002510179778  0.003596234033  -0.003322335432
  27  Al  6.067278925691  6.083704657576  0.017527874254  0.012287606833  -0.033082014682  -0.026966707654  -0.001925573933  0.002163183579  0.004374501701
  28  Al  4.054114490592  4.058068804731  4.064675109912  -0.011661891526  -0.005450717529  -0.070556718268  0.001024380950  0.002017026029  0.003639013899
  29  Al  4.033013405810  6.080507640744  6.100495534685  0.092922277128  -0.014611963546  -0.063127046103  -0.004206173937  0.001371923554  0.006350873994
  30  Al  6.079610155137  4.032448986113  6.078537907399  -0.002336461767  0.012627929018  0.019768258626  0.001153499116  -0.004386521787  0.000896502225
  31  Al  6.091202886919  6.067759537751  4.048533389214  -0.036194644000  0.019429638816  -0.046593249696  0.004038493615  -0.001802529527  -0.000388809527


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)
  -83.046864124091  -0.020318424547  0.002357744065
  -0.020318424547  -83.082854916513  -0.088531287175
  0.002357744065  -0.088531287175  -82.731646941655
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.080138158506  8.094229822772  8.090939273314  0.055116816343  0.003345736798  -0.041923847877  -0.004390871253  -0.001281773175  -0.002038560797
  1  Al  8.090637098854  2.011532036033  2.007080987187  0.055855924995  0.031301707383  0.001552956495  -0.002053365273  -0.002980839421  -0.003987597289
  2  Al  2.013684385158  8.081576977168  2.014989437751  0.024689876315  -0.004787777113  0.044984974271  -0.002504322553  -0.004102771988  -0.002203614435
  3  Al  2.012925974084  2.019370579177  8.096821219630  0.012526338177  -0.007567639769  -0.074582184615  -0.002679324987  -0.001257065726  -0.000747391902
  4  Al  0.003081504080  8.085807469863  4.078816561501  0.045684230541  0.005705777464  -0.079083102674  0.000710081416  -0.003154818867  0.006371735105
  5  Al  0.002588958944  2.024739727676  6.085937907026  -0.007680072329  -0.010905484453  -0.028752238524  0.000571280838  -0.000063480546  0.002420047608
  6  Al  2.019930393487  8.096902379381  6.070803108954  -0.029379719587  0.073374131042  0.012583342041  -0.001143592262  -0.000648974832  -0.000926729634
  7  Al  2.023656597824  2.029000083875  4.061059214907  -0.011521288677  -0.030204693465  0.017697381161  -0.000304462113  0.000873744856  0.002471415102
  8  Al  8.092242265114  4.067403057883  8.075240777752  -0.000526533246  -0.049345258690  0.045167730706  -0.001726602593  0.003847008799  -0.005485534079
  9  Al  0.005658871139  6.072674192201  2.023101525758  0.007256382567  -0.002133452357  0.037103883076  0.001263408438  -0.000517876489  -0.000402491946
  10  Al  2.036041105494  4.029280779411  2.021993890815  -0.022552172072  0.133060233933  0.051937491666  0.002446346175  -0.004538923901  -0.000641473059
  11  Al  2.029439374501  6.080984943922  0.020330670203  -0.044719768008  0.009331545616  0.051235369332  0.000964436701  0.001338431359  0.004552798767
  12  Al  8.089678446839  4.056566316798  4.034120532557  0.068885160260  0.011998879418  0.064314186593  -0.002259774537  0.001468981153  -0.003498721886
  13  Al  0.001600202415  6.068452287106  6.058173156906  0.003494967569  0.007327999326  0.032889533721  0.000358231855  -0.001452472491  -0.003726250374
  14  Al  2.021980587458  4.043045414122  6.082413971110  -0.043100875889  -0.053113152285  -0.039350019707  -0.000694859282  -0.001576115619  0.001630024064
  15  Al  2.042800734210  6.077774120100  4.031599540669  -0.079365995845  -0.029141863648  -0.022831159978  0.003919781300  0.000602573047  -0.004107826668
  16  Al  4.070901348601  0.022361377009  8.098994828829  -0.012607895185  -0.000257797863  0.060653767452  0.004645693961  0.004977278060  -0.000190388887
  17  Al  4.024966899479  2.005491602550  2.022028060681  0.084900907815  0.034525651980  -0.007470551400  -0.005524500835  -0.004323443170  -0.000665600682
  18  Al  6.091762116408  8.081215294447  2.002654596134  -0.079207836301  -0.013835983370  0.028214351882  0.003688105993  -0.004187708843  -0.004958919027
  19  Al  6.082220423143  2.046824063366  8.072963184621  -0.066972452748  -0.065409658709  -0.003217808313  0.001570688839  0.004822576450  -0.006019245620
  20  Al  4.056520464311  0.023771505210  4.052241236615  -0.033455809201  -0.075959560367  -0.016510300808  0.001434234264  0.005249957907  0.000490645417
  21  Al  4.054809997517  2.018240044655  6.079507547846  0.011018255515  0.027446528696  0.046786351984  0.001077214177  -0.001490101372  0.001029550482
  22  Al  6.075196474818  0.001579670345  6.077480844151  0.012044054278  0.080729983702  0.027559730117  0.000050447144  0.000395208235  0.000568131620
  23  Al  6.092307349321  2.028437704791  4.043610180630  -0.051057883111  -0.003844488244  0.086894381865  0.003824555658  0.000762957569  -0.001374530983
  24  Al  4.054144513622  4.047732228520  0.024298692184  0.031794613743  -0.024479760819  -0.066925756139  0.000940540662  -0.000517341300  0.005372306726
  25  Al  4.042035187079  6.096646310247  2.045509628305  0.011818459077  -0.044340386979  -0.038624808946  -0.001765976541  0.004794411125  0.004544287312
  26  Al  6.063725905056  4.066125997765  2.010028188629  -0.005322195221  0.022632702584  0.024161538201  -0.002512565579  0.003602002914  -0.003320188057
  27  Al  6.066316687976  6.084784770612  0.019713919703  0.014908557485  -0.038205289522  -0.030243905783  -0.001924177106  0.002157970729  0.004371737478
  28  Al  4.054626159785  4.059077074101  4.066491463002  -0.014457908590  -0.005628632779  -0.079417388911  0.001022595634  0.002017120002  0.003627556595
  29  Al  4.030914472434  6.081192949371  6.103668149926  0.102471982469  -0.017499376051  -0.071541547161  -0.004190959004  0.001369789259  0.006342244482
  30  Al  6.080186800256  4.030256289683  6.078987042145  -0.001342010784  0.014670505869  0.019975239062  0.001153790573  -0.004386439596  0.000900539420
  31  Al  6.093220515839  6.066859141485  4.048336901749  -0.039196110355  0.021208872676  -0.053237588788  0.004033922482  -0.001799864130  -0.000397948280


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)
  -82.978538554716  -0.024686195334  0.002859319039
  -0.024686195334  -83.022455010999  -0.108912310769
  0.002859319039  -0.108912310769  -82.588879423741
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.077945186581  8.093589085738  8.089918118934  0.059115695003  0.005184084446  -0.047277124749  -0.004383486569  -0.001281837479  -0.002047856294
  1  Al  8.089612912957  2.010043015497  2.005087257959  0.059321574412  0.033611201701  -0.000029782009  -0.002044387244  -0.002976956575  -0.003990034938
  2  Al  2.012433327511  8.079525377162  2.013889641346  0.030418164403  -0.003281905511  0.048261792440  -0.002501009239  -0.004106142128  -0.002196695245
  3  Al  2.011586871513  2.018741708043  8.096444189882  0.016641549634  -0.009738729484  -0.083189917765  -0.002678445162  -0.001259425310  -0.000761988144
  4  Al  0.003438586857  8.084230315476  4.081998894068  0.048341014818  0.007365795728  -0.087240434289  0.000718950973  -0.003155685891  0.006360969120
  5  Al  0.002874256067  2.024707499932  6.087146645615  -0.010641467356  -0.013927050082  -0.030511058352  0.000570010597  -0.000065742965  0.002416308181
  6  Al  2.019357284093  8.096581171762  6.070340306608  -0.029326600482  0.082700093133  0.015887385277  -0.001149582116  -0.000635431801  -0.000924780912
  7  Al  2.023503851770  2.029435606164  4.062295713525  -0.009422266617  -0.034742522953  0.020500500989  -0.000306532184  0.000868498857  0.002476427414
  8  Al  8.091378940281  4.069324356567  8.072500029694  -0.003117205241  -0.055983240910  0.049591622397  -0.001728043036  0.003840069590  -0.005480597987
  9  Al  0.006290899716  6.072415158592  2.022901938316  0.005124975109  -0.001076301971  0.039662961503  0.001265331540  -0.000518497902  -0.000395884416
  10  Al  2.037263270507  4.027017265205  2.021675475872  -0.022350137035  0.146019781381  0.056494578073  0.002443908413  -0.004516888021  -0.000632187110
  11  Al  2.029919593894  6.081654576718  0.022609359789  -0.046339695920  0.011330101725  0.055577122974  0.000956913319  0.001341143616  0.004565292623
  12  Al  8.088551638712  4.057301343720  4.032374046435  0.074121575947  0.011838776628  0.072003299595  -0.002248440221  0.001472061793  -0.003488785684
  13  Al  0.001779474566  6.067726378419  6.056311501869  0.000750180674  0.009401001987  0.037771318021  0.000358842844  -0.001451913505  -0.003722334481
  14  Al  2.021631231223  4.042254982173  6.083227224210  -0.044417568961  -0.060175506460  -0.042417186898  -0.000703136934  -0.001587267430  0.001623761562
  15  Al  2.044757077228  6.078074103993  4.029544606791  -0.085183954328  -0.030977157358  -0.023840917422  0.003907591291  0.000597583929  -0.004114653324
  16  Al  4.073223632013  0.024850004516  8.098902345587  -0.011418502244  0.000372781696  0.066642069012  0.004646543326  0.004980501071  -0.000179124277
  17  Al  4.022208444101  2.003331424249  2.021694926410  0.096627787612  0.037012278747  -0.009695031091  -0.005511827771  -0.004319834291  -0.000667565894
  18  Al  6.093602628842  8.079120821562  2.000176397792  -0.091254841053  -0.013675466901  0.030565926090  0.003675237508  -0.004192873010  -0.004956861595
  19  Al  6.083002773918  2.049232427803  8.069953417977  -0.077056156638  -0.074469932943  -0.003164702728  0.001558818319  0.004813176112  -0.006023701873
  20  Al  4.057236085980  0.026393088799  4.052485821319  -0.034849177901  -0.083328544325  -0.017860290105  0.001429049673  0.005239097208  0.000487887429
  21  Al  4.055349097117  2.017496220819  6.080024414420  0.014582233344  0.029482544916  0.053361511741  0.001080199638  -0.001485970497  0.001039173960
  22  Al  6.075222236755  0.001780883064  6.077766141871  0.010186144395  0.090596336599  0.031927370093  0.000052468354  0.000410789670  0.000573819874
  23  Al  6.094217344881  2.028819011729  4.042926799286  -0.059999786957  -0.005611452527  0.096744989043  0.003817089441  0.000762604142  -0.001358990389
  24  Al  4.054616205160  4.047472463634  0.026981853990  0.037709365124  -0.028718496112  -0.075687579745  0.000947365377  -0.000522434188  0.005363016675
  25  Al  4.041152727089  6.099041533810  2.047780045446  0.016378190321  -0.047408896671  -0.044663782059  -0.001764594053  0.004789298199  0.004539769805
  26  Al  6.062469384366  4.067928010895  2.008369174613  -0.008378555711  0.023474886596  0.026041011570  -0.002515413014  0.003608452574  -0.003317840197
  27  Al  6.065355265830  6.085862048214  0.021898436550  0.013114159227  -0.041159551724  -0.035084113013  -0.001922912293  0.002152263913  0.004368715293
  28  Al  4.055136811339  4.060085382504  4.068301691371  -0.013462412777  -0.007024045459  -0.086867824724  0.001020758029  0.002017290139  0.003615022730
  29  Al  4.028823573393  6.081877061785  6.106836074285  0.115894780384  -0.018029679044  -0.077261295943  -0.004174129745  0.001367495107  0.006333026809
  30  Al  6.080763635555  4.028063725651  6.079438204741  -0.004607551036  0.015837324362  0.022364515975  0.001154003090  -0.004386541809  0.000904908285
  31  Al  6.095235725028  6.065960157449  4.048135547908  -0.046501510150  0.025101490788  -0.058606933902  0.004028860041  -0.001796883117  -0.000408210421


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)
  -82.904031603056  -0.029753953916  0.003501146808
  -0.029753953916  -82.955457459556  -0.131772084822
  0.003501146808  -0.131772084822  -82.430537067108
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.075756085747  8.092948398725  8.088892077517  0.066139516689  0.005054686220  -0.051922613098  -0.004375609280  -0.001281894908  -0.002058286613
  1  Al  8.088593370988  2.008556039618  2.003092239159  0.065983386483  0.037828917909  0.000719335181  -0.002034729127  -0.002972825813  -0.003993003388
  2  Al  2.011184182572  8.077472159398  2.012793451008  0.031525417885  -0.003698094845  0.053345198434  -0.002497366658  -0.004109884926  -0.002189272986
  3  Al  2.010248392804  2.018111560070  8.096059477251  0.016010271598  -0.010053163686  -0.091117376524  -0.002677557981  -0.001262152478  -0.000778161600
  4  Al  0.003800223169  8.082652801779  4.085175479012  0.053840372530  0.007195847602  -0.096132876494  0.000728638844  -0.003156779617  0.006349393924
  5  Al  0.003158785695  2.024674005915  6.088353435872  -0.010559954555  -0.015005672839  -0.034415674343  0.000568546648  -0.000068381421  0.002412334381
  6  Al  2.018781182147  8.096267152526  6.069878626312  -0.033733687864  0.089958366876  0.017244391707  -0.001156096966  -0.000620467101  -0.000922519010
  7  Al  2.023350164505  2.029868302615  4.063534843597  -0.012182712205  -0.037185336967  0.022643984713  -0.000308697910  0.000862723237  0.002482168097
  8  Al  8.090514779425  4.071241888932  8.069761947428  -0.002469418328  -0.060615212490  0.054532022573  -0.001729855179  0.003832554111  -0.005475444456
  9  Al  0.006923794571  6.072155861530  2.022705769028  0.005896962686  -0.001900799970  0.044118373862  0.001267278570  -0.000519158017  -0.000388689382
  10  Al  2.038484225671  4.024765348227  2.021361907605  -0.026806712611  0.161051932739  0.063171314298  0.002441366461  -0.004492845432  -0.000621961041
  11  Al  2.030395979185  6.082325654978  0.024894490378  -0.052366033315  0.011307151134  0.060609040975  0.000948809103  0.001344187409  0.004579154480
  12  Al  8.087430731810  4.058037903805  4.030632872114  0.082500461674  0.013152169871  0.078883857970  -0.002236135217  0.001475415587  -0.003477935717
  13  Al  0.001958929521  6.067000841888  6.054452022993  0.000971598660  0.009659575608  0.040710156171  0.000359269402  -0.001451310832  -0.003718139809
  14  Al  2.021277677307  4.041458658635  6.084037208958  -0.050286338368  -0.065247794960  -0.047514147611  -0.000712143807  -0.001599694112  0.001616948789
  15  Al  2.046707065182  6.078371511289  4.027486214448  -0.095567826574  -0.034860599578  -0.025283857790  0.003894387473  0.000592147432  -0.004122173160
  16  Al  4.075546393273  0.027340271714  8.098815762325  -0.012880078556  -0.001039507705  0.073247255580  0.004647898114  0.004984223751  -0.000166744807
  17  Al  4.019456849443  2.001173161539  2.021360710098  0.105102920813  0.041368493468  -0.010005948224  -0.005497965329  -0.004316102386  -0.000669835453
  18  Al  6.095436168538  8.077023773768  1.997699333281  -0.098620834452  -0.015473815259  0.034845431954  0.003661040945  -0.004198665097  -0.004954773803
  19  Al  6.083778738695  2.051635687080  8.066941425579  -0.082666753282  -0.082031826259  -0.002652315671  0.001545712172  0.004802829601  -0.006028796870
  20  Al  4.057949053070  0.029008912647  4.052728966685  -0.039177284400  -0.092565336386  -0.019680332216  0.001423511994  0.005227339195  0.000484899291
  21  Al  4.055889848757  2.016754553430  6.080546386641  0.015424198748  0.033355020714  0.057935776299  0.001083704562  -0.001481477085  0.001049920591
  22  Al  6.075248926249  0.001990327522  6.078054478950  0.012690998834  0.098606899733  0.034433329268  0.000054554953  0.000428029113  0.000580192752
  23  Al  6.096123207633  2.029200062970  4.042251628558  -0.064102338384  -0.005536746575  0.106069627476  0.003808885178  0.000762185887  -0.001341877193
  24  Al  4.055091573443  4.047209962833  0.029659979119  0.040509576648  -0.030866069996  -0.083834878817  0.000955082860  -0.000528161801  0.005352817475
  25  Al  4.040271162162  6.101434063749  2.050047933893  0.017804997262  -0.052466732608  -0.049087321080  -0.001762875861  0.004783999734  0.004534829785
  26  Al  6.061211303341  4.069733286501  2.006711418538  -0.006774679440  0.026318737023  0.030249449150  -0.002518679005  0.003615647828  -0.003315323708
  27  Al  6.064394395882  6.086936340353  0.024081225949  0.015775789869  -0.045709096969  -0.039305003436  -0.001921787903  0.002146126510  0.004365377632
  28  Al  4.055646588588  4.061093713601  4.070105319775  -0.015625105106  -0.006404680143  -0.094860976269  0.001018930843  0.002017620694  0.003601509316
  29  Al  4.026741688976  6.082560003418  6.109999134138  0.125956185250  -0.020377256241  -0.084743776258  -0.004155661972  0.001365097460  0.006323342149
  30  Al  6.081340431144  4.025871162669  6.079891658570  -0.003333524194  0.018888572008  0.022481961278  0.001154169006  -0.004386766243  0.000909607785
  31  Al  6.097248076448  6.065062837918  4.047928822989  -0.048979373997  0.027291372569  -0.064683409057  0.004023377264  -0.001793560279  -0.000419550865


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)
  -82.822321610650  -0.034868649847  0.004126579994
  -0.034868649847  -82.882216461018  -0.156174901379
  0.004126579994  -0.156174901379  -82.257793290197
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.073571237520  8.092307677213  8.087860613288  0.071648817531  0.005837872893  -0.057408794900  -0.004367127619  -0.001282047399  -0.002069879149
  1  Al  8.087578955858  2.007071317651  2.001095769619  0.070937150330  0.040947765441  0.000172942321  -0.002024266846  -0.002968390962  -0.003996434483
  2  Al  2.009936908418  8.075417051632  2.011701199026  0.035332688829  -0.002913964355  0.057382301899  -0.002493580199  -0.004114090264  -0.002181290289
  3  Al  2.008910329466  2.017480034459  8.095666323537  0.018137295589  -0.011430050312  -0.099702330386  -0.002676856829  -0.001265184525  -0.000795919959
  4  Al  0.004166949236  8.081074733622  4.088345878868  0.057799078162  0.007870985022  -0.104290427921  0.000739268777  -0.003158207135  0.006337043311
  5  Al  0.003442586993  2.024639144457  6.089558064695  -0.012044505613  -0.017241869439  -0.037178099827  0.000567023955  -0.000071326988  0.002408049418
  6  Al  2.018201625780  8.095960940082  6.069418137625  -0.035352241863  0.098012895264  0.019836693553  -0.001163295152  -0.000604193389  -0.000920012217
  7  Al  2.023195270988  2.030298002062  4.064776939823  -0.012048396122  -0.040786357735  0.025600213437  -0.000311137487  0.000856505063  0.002488667385
  8  Al  8.089649741454  4.073155456509  8.067026662762  -0.003631321821  -0.066072370040  0.058755249829  -0.001731922072  0.003824588229  -0.005470122152
  9  Al  0.007557697448  6.071896197557  2.022513396412  0.004997265296  -0.001677198350  0.047388586293  0.001269367644  -0.000519934649  -0.000380843296
  10  Al  2.039703710651  4.022526124474  2.021053750820  -0.028649669021  0.174979918237  0.068689656425  0.002438550965  -0.004466728443  -0.000610709272
  11  Al  2.030868042994  6.082998254108  0.027186776820  -0.055664195211  0.012285296310  0.064509958429  0.000939977047  0.001347480317  0.004594376184
  12  Al  8.086316351942  4.058776199496  4.028897430336  0.089177510735  0.013599407721  0.086600938709  -0.002222740005  0.001479106553  -0.003466186537
  13  Al  0.002138607652  6.066275618252  6.052594772818  -0.000601790859  0.010942017884  0.044778851989  0.000359618387  -0.001450743541  -0.003713759688
  14  Al  2.020919357622  4.040655895026  6.084843559487  -0.053173493418  -0.071118235422  -0.051555897454  -0.000722027342  -0.001613302422  0.001609505947
  15  Al  2.048649987071  6.078666026749  4.025423997689  -0.103143577176  -0.037540538301  -0.025666125672  0.003880031420  0.000586189790  -0.004130356566
  16  Al  4.077869766596  0.029832337124  8.098735664048  -0.012916595347  -0.001714980657  0.079071725578  0.004649676647  0.004988359771  -0.000153262240
  17  Al  4.016712564842  1.999016959502  2.021025345110  0.115277070466  0.044685409463  -0.011360565260  -0.005483080397  -0.004312197491  -0.000672336250
  18  Al  6.097262280695  8.074923749546  1.995223503957  -0.108753681698  -0.016264279007  0.038259475424  0.003645704561  -0.004205196721  -0.004952589122
  19  Al  6.084547899607  2.054033435087  8.063926908587  -0.090820812376  -0.090548987683  -0.002540709627  0.001531547972  0.004791610425  -0.006034562480
  20  Al  4.058659057857  0.031618444607  4.052970536627  -0.042002551737  -0.101037551568  -0.020808091254  0.001417499847  0.005214612267  0.000481702830
  21  Al  4.056432390494  2.016015305845  6.081073936645  0.017651883498  0.036353780156  0.063578716932  0.001087617011  -0.001476542309  0.001061716617
  22  Al  6.075276771008  0.002208749772  6.078346114484  0.012583991225  0.107343977605  0.037904932320  0.000056864474  0.000446833516  0.000587175574
  23  Al  6.098024784871  2.029580908423  4.041585431236  -0.071075670499  -0.006412554071  0.116060999077  0.003800138780  0.000761786857  -0.001323181288
  24  Al  4.055570925637  4.046944502231  0.032332640468  0.044979600783  -0.033954073074  -0.092999686352  0.000963572028  -0.000534426168  0.005341701271
  25  Al  4.039390520108  6.103823718372  2.052313154600  0.021128819728  -0.056276978788  -0.054579149781  -0.001760942192  0.004778476011  0.004529541275
  26  Al  6.059951661012  4.071542286853  2.005055108823  -0.007791999715  0.028090404733  0.033329144303  -0.002522197003  0.003623695379  -0.003312549900
  27  Al  6.063434207103  6.088007360428  0.026262157846  0.015675059655  -0.049446207994  -0.044584817258  -0.001920663521  0.002139499242  0.004361709700
  28  Al  4.056155355573  4.062102237661  4.071901834182  -0.016027666821  -0.006578598664  -0.101759039728  0.001016994537  0.002018233014  0.003587082877
  29  Al  4.024669488186  6.083241641292  6.113157017196  0.137519996073  -0.021787342352  -0.091012652709  -0.004135740635  0.001362524952  0.006313175769
  30  Al  6.081917366639  4.023678623861  6.080347467398  -0.004829185589  0.021311490336  0.023432965524  0.001154453452  -0.004387026384  0.000914515948
  31  Al  6.099257575719  6.064167277693  4.047716156231  -0.054318873014  0.030540916747  -0.069906963911  0.004017671996  -0.001789962594  -0.000431962627


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)
  -82.734566180911  -0.040466539467  0.004887901597
  -0.040466539467  -82.802339512320  -0.183030918479
  0.004887901597  -0.183030918479  -82.069682389027
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.071390876387  8.091666914465  8.086823107562  0.080309905289  0.005882291026  -0.060846048192  -0.004357916328  -0.001282286558  -0.002082541134
  1  Al  8.086569993300  2.005588952520  1.999097560108  0.079124814676  0.045261634443  0.001436579083  -0.002012871580  -0.002963658302  -0.004000305395
  2  Al  2.008691697677  8.073359876247  2.010613118849  0.035520023461  -0.002576740678  0.062760376226  -0.002489744785  -0.004118714769  -0.002172730224
  3  Al  2.007572711783  2.016846931277  8.095263906900  0.016513927379  -0.011745212818  -0.105992502508  -0.002676445179  -0.001268529503  -0.000815127010
  4  Al  0.004539167223  8.079495981885  4.091509738779  0.064618584109  0.008050537474  -0.114657335174  0.000750966516  -0.003159955168  0.006323816271
  5  Al  0.003725560586  2.024602710257  6.090760427556  -0.010420796898  -0.018338621579  -0.041534010240  0.000565583206  -0.000074582712  0.002403424746
  6  Al  2.017618397971  8.095663224528  6.068959018210  -0.040478868519  0.105268571396  0.021016202732  -0.001171249893  -0.000586608907  -0.000917280603
  7  Al  2.023039163685  2.030724431458  4.066022417836  -0.015704435214  -0.043141095769  0.026348333037  -0.000313933642  0.000849854943  0.002495816409
  8  Al  8.088783618099  4.075064797212  8.064294228024  -0.001469039945  -0.070792767878  0.065036338394  -0.001734118444  0.003816182596  -0.005464539616
  9  Al  0.008192604646  6.071636155262  2.022325093017  0.007067833415  -0.002623007534  0.051990337935  0.001271722586  -0.000520841814  -0.000372332573
  10  Al  2.040921705503  4.020300581792  2.020751466586  -0.034288454323  0.189473471580  0.075737152014  0.002435368536  -0.004438601258  -0.000598398186
  11  Al  2.031335543347  6.083672543414  0.029486848484  -0.062649951723  0.012068473737  0.070414440985  0.000930333552  0.001351013436  0.004611066104
  12  Al  8.085208968142  4.059516360661  4.027168208098  0.099106114294  0.014281383040  0.092074411543  -0.002208123710  0.001483087537  -0.003453679284
  13  Al  0.002318389946  6.065550735585  6.050739894573  0.000891004224  0.011219662759  0.047532567178  0.000360005553  -0.001450217776  -0.003709229785
  14  Al  2.020555967115  4.039846064855  6.085646007931  -0.059787092763  -0.076260983128  -0.057169830555  -0.000732861454  -0.001628112030  0.001601393142
  15  Al  2.050585392300  6.078957443595  4.023357672139  -0.114271244684  -0.041443402999  -0.027852597142  0.003864473169  0.000579710494  -0.004139295397
  16  Al  4.080194027552  0.032326440350  8.098662567406  -0.015880328450  -0.003056471642  0.086917106046  0.004651770851  0.004992944244  -0.000138562022
  17  Al  4.013976177487  1.996862858179  2.020688669171  0.121936799454  0.049140336025  -0.011302845208  -0.005467360821  -0.004308133282  -0.000675039829
  18  Al  6.099080271725  8.072820424178  1.992748919581  -0.115029371630  -0.017663701798  0.043280392745  0.003629341010  -0.004212457581  -0.004950267723
  19  Al  6.085309613935  2.056425192792  8.060909513778  -0.095290068928  -0.098248512875  -0.000365676821  0.001516431720  0.004779528914  -0.006040885086
  20  Al  4.059365930282  0.034221234399  4.053210457928  -0.047951132518  -0.110178012170  -0.023826859599  0.001410874040  0.005200949545  0.000478192423
  21  Al  4.056976988032  2.015278659691  6.081607636899  0.016905800492  0.040313295592  0.067664284484  0.001091802201  -0.001471164824  0.001074528069
  22  Al  6.075305765745  0.002436964767  6.078641396608  0.015997104873  0.115358161614  0.039888957831  0.000059479298  0.000467211832  0.000594727174
  23  Al  6.099921677204  2.029961515212  4.040929028477  -0.074081901941  -0.006271993016  0.123946187469  0.003790966502  0.000761417044  -0.001303032573
  24  Al  4.056054722223  4.046675771411  0.034999334051  0.046281112068  -0.036341049096  -0.099968066515  0.000972706902  -0.000541253717  0.005329799206
  25  Al  4.038510993463  6.106210440817  2.054575485569  0.021307991663  -0.061266725148  -0.058796938009  -0.001758913660  0.004772757742  0.004523945874
  26  Al  6.058690214211  4.073355390174  2.003400323674  -0.005037797948  0.030459980465  0.038181171160  -0.002525879010  0.003632575480  -0.003309478401
  27  Al  6.062474576012  6.089074899821  0.028441019770  0.019222182023  -0.054124253207  -0.047925069135  -0.001919470159  0.002132380225  0.004357812988
  28  Al  4.056663136411  4.063111060107  4.073690827028  -0.019648008421  -0.006017564996  -0.110749711380  0.001014823658  0.002019133377  0.003571669360
  29  Al  4.022607764962  6.083921929882  6.116309536848  0.145740612245  -0.024137790109  -0.098712949953  -0.004114546798  0.001359783990  0.006302539817
  30  Al  6.082494377502  4.021486063284  6.080805772817  -0.002635721243  0.024487164738  0.022676410377  0.001154945225  -0.004387335252  0.000919560986
  31  Al  6.101263983683  6.063273661564  4.047497050102  -0.055919594517  0.032962942550  -0.077200808810  0.004011843138  -0.001786077945  -0.000445561131


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)
  -82.638794129067  -0.046297231795  0.005814720254
  -0.046297231795  -82.716268569649  -0.211223667714
  0.005814720254  -0.211223667714  -81.867580767480
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.069215508047  8.091026034122  8.085779117198  0.084478248902  0.007792286679  -0.065648117447  -0.004348114627  -0.001282518283  -0.002096226492
  1  Al  8.085567094361  2.004109146548  1.997097471626  0.082530072402  0.048924730658  0.000342633553  -0.002000688291  -0.002958592799  -0.004004687170
  2  Al  2.007448413017  8.071300403683  2.009529559104  0.041014655429  -0.000334408235  0.066340718985  -0.002485721150  -0.004123650750  -0.002163641990
  3  Al  2.006235227360  2.016212141519  8.094851605568  0.020237584080  -0.012589687465  -0.113778215418  -0.002676194104  -0.001272147489  -0.000835721963
  4  Al  0.004917538908  8.077916364157  4.094666521773  0.067239402060  0.009822951322  -0.123462583711  0.000763620379  -0.003161942556  0.006309682947
  5  Al  0.004007886383  2.024564599172  6.091960283374  -0.013086158036  -0.020303063108  -0.043865781918  0.000564121347  -0.000078125836  0.002398509689
  6  Al  2.017030963634  8.095374625542  6.068501317325  -0.040135024087  0.114308881221  0.024222227291  -0.001179794463  -0.000567622457  -0.000914272996
  7  Al  2.022881494881  2.031147430538  4.067271503801  -0.013679155337  -0.046338709148  0.028624853202  -0.000316919863  0.000842811160  0.002503569720
  8  Al  8.087916493212  4.076969724099  8.061564865317  -0.004023070784  -0.077267309732  0.069798868043  -0.001736578506  0.003807263113  -0.005458674929
  9  Al  0.008828781868  6.071375617107  2.022141250680  0.004415119873  -0.002767615441  0.054704285171  0.001274193937  -0.000521915521  -0.000363205983
  10  Al  2.042137857089  4.018089750559  2.020455652916  -0.034353608478  0.201890552692  0.080836569191  0.002431989570  -0.004408612435  -0.000585064001
  11  Al  2.031797909693  6.084348589589  0.031795529036  -0.063906281369  0.012341137260  0.074344621308  0.000920062757  0.001354731741  0.004629256482
  12  Al  8.084109336295  4.060258542802  4.025445484149  0.104241491627  0.013517145086  0.099200867959  -0.002192430534  0.001487259079  -0.003440480504
  13  Al  0.002498432550  6.064826128212  6.048887404369  -0.002353694802  0.011835326247  0.052083273945  0.000360283307  -0.001449800577  -0.003704524688
  14  Al  2.020186863926  4.039028600002  6.086444149031  -0.060712779531  -0.082938930318  -0.060629255426  -0.000744478205  -0.001644208724  0.001592667883
  15  Al  2.052512521001  6.079245446337  4.021286779440  -0.119951069356  -0.044515896391  -0.028318454437  0.003847896917  0.000572675139  -0.004149021542
  16  Al  4.082519203132  0.034822775849  8.098597171558  -0.014466440014  -0.003078623515  0.093167399786  0.004654335330  0.004998062976  -0.000122601612
  17  Al  4.011247947607  1.994710988093  2.020350644024  0.133423181415  0.053078724643  -0.013019995636  -0.005450712278  -0.004303875051  -0.000677983025
  18  Al  6.100889800458  8.070713405826  1.990275720337  -0.126859278643  -0.017150680834  0.046416399363  0.003611811701  -0.004220355340  -0.004947859174
  19  Al  6.086063570363  2.058810565576  8.057889054889  -0.105016326296  -0.106521157008  0.000998627999  0.001500225549  0.004766627437  -0.006047685852
  20  Al  4.060069223903  0.036816784254  4.053448489087  -0.049458773672  -0.117630576032  -0.025485772030  0.001403757357  0.005186464451  0.000474321734
  21  Al  4.057523644816  2.014544879269  6.082147925503  0.020544447074  0.043945396629  0.073589810355  0.001096393405  -0.001465293625  0.001088390187
  22  Al  6.075336220459  0.002675727151  6.078940543217  0.013914825904  0.124864690478  0.043749780338  0.000062223958  0.000489242324  0.000602888020
  23  Al  6.101813849020  2.030341943378  4.040283052540  -0.082989899741  -0.006600031561  0.133052017015  0.003781211837  0.000761129324  -0.001281510198
  24  Al  4.056543144422  4.046403520121  0.037659765117  0.051983146826  -0.040545938572  -0.108918798394  0.000982605813  -0.000548749575  0.005317153887
  25  Al  4.037632489092  6.108594081087  2.056834830304  0.026368296477  -0.065298436148  -0.064889439608  -0.001756643257  0.004766847942  0.004518011285
  26  Al  6.057427049518  4.075173039464  2.001747291159  -0.007514170445  0.030791587760  0.041151311191  -0.002529869717  0.003642181124  -0.003306134895
  27  Al  6.061515700157  6.090138670599  0.030617784031  0.017213772634  -0.058266887230  -0.053095791234  -0.001918388033  0.002124741740  0.004353718391
  28  Al  4.057169669981  4.064120357813  4.075471711236  -0.018510923264  -0.007088850925  -0.117892323628  0.001012560400  0.002020252397  0.003555260166
  29  Al  4.020557006116  6.084600742926  6.119456394323  0.158568109069  -0.026017939514  -0.104207833774  -0.004091981635  0.001356838596  0.006291532689
  30  Al  6.083071732299  4.019293490226  6.081266566938  -0.006027730657  0.026413770374  0.023439346634  0.001155480896  -0.004387759939  0.000924732237
  31  Al  6.103267405666  6.062382096024  4.047270818688  -0.063127969261  0.035727560130  -0.082851248670  0.004005742404  -0.001781957590  -0.000460391699


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)
  -82.537032222274  -0.052676583935  0.006797927409
  -0.052676583935  -82.623635095450  -0.242140370354
  0.006797927409  -0.242140370354  -81.650162192878
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.067045226881  8.090385123293  8.084728069505  0.091522828903  0.007778947315  -0.070329083303  -0.004337883202  -0.001282753499  -0.002111060802
  1  Al  8.084570439280  2.002632037066  1.995095143356  0.088836603079  0.052443783687  0.001027489758  -0.001987890028  -0.002953276990  -0.004009651239
  2  Al  2.006207385783  8.069238563360  2.008450703515  0.042483446642  0.000203937491  0.071148766954  -0.002481404335  -0.004128900248  -0.002154083152
  3  Al  2.004898034920  2.015575505020  8.094428658741  0.019859502256  -0.013742132779  -0.121278001076  -0.002676004174  -0.001276120393  -0.000857824036
  4  Al  0.005302354675  8.076335831961  4.097815844514  0.072486862859  0.009781899278  -0.132350304341  0.000777097616  -0.003164203937  0.006294798904
  5  Al  0.004289362110  2.024524628714  6.093157577433  -0.012957854509  -0.022433747461  -0.047834074890  0.000562506615  -0.000082050563  0.002393347937
  6  Al  2.016439272381  8.095095923880  6.068045263552  -0.043617987008  0.121170096071  0.025957019616  -0.001188789995  -0.000547265054  -0.000910942609
  7  Al  2.022722423497  2.031566764795  4.068524568182  -0.015877207155  -0.049478838602  0.030787271839  -0.000319968085  0.000835304790  0.002512067876
  8  Al  8.087048024128  4.078869901835  8.058838647837  -0.003534198311  -0.081767680731  0.074653576470  -0.001739460763  0.003797863386  -0.005452678134
  9  Al  0.009466076191  6.071114535635  2.021962092950  0.004654909064  -0.002838126556  0.058760054353  0.001276624289  -0.000523080239  -0.000353510809
  10  Al  2.043352316280  4.015894468777  2.020166734282  -0.038752938684  0.216240262506  0.087556492188  0.002428534683  -0.004376784134  -0.000570733803
  11  Al  2.032255084484  6.085026507103  0.034113480455  -0.069167599842  0.012757573204  0.078326708116  0.000909319591  0.001358699164  0.004648802560
  12  Al  8.083017780585  4.061002776554  4.023729678140  0.112471179391  0.014212654711  0.105994522478  -0.002175816772  0.001491630353  -0.003426482946
  13  Al  0.002678468994  6.064101756958  6.047037470129  -0.002758754393  0.012900745705  0.055145958634  0.000360283306  -0.001449427903  -0.003699631744
  14  Al  2.019811910984  4.038202788300  6.087237772867  -0.065643760641  -0.087663291199  -0.065783972445  -0.000756734366  -0.001661568269  0.001583375267
  15  Al  2.054431107690  6.079529794062  4.019211002844  -0.129778540614  -0.047520302435  -0.028549621511  0.003830430471  0.000565164124  -0.004159382009
  16  Al  4.084845724153  0.037321669724  8.098540035301  -0.015631372338  -0.005067974166  0.099412010498  0.004657553079  0.005003682239  -0.000105519011
  17  Al  4.008528555436  1.992561423168  2.020011070522  0.141764580870  0.056584781620  -0.013347868075  -0.005433002880  -0.004299525497  -0.000681204454
  18  Al  6.102690035745  8.068602461527  1.987803865546  -0.134592682232  -0.018296707623  0.051124174319  0.003592996081  -0.004228888988  -0.004945412761
  19  Al  6.086808988946  2.061189117837  8.054865256602  -0.110719061971  -0.115316049778  0.002405260999  0.001482820033  0.004752824681  -0.006055062868
  20  Al  4.060768891792  0.039404758435  4.053684510749  -0.053799745508  -0.126879124471  -0.027087098447  0.001396297432  0.005171165488  0.000470218265
  21  Al  4.058072759848  2.013814196800  6.082695410034  0.021453739479  0.047213368326  0.078052015417  0.001101545410  -0.001458994946  0.001103346539
  22  Al  6.075367954426  0.002925929720  6.079243942826  0.015771172101  0.132431753613  0.046211370303  0.000064960272  0.000512895089  0.000611706480
  23  Al  6.103700745320  2.030722213021  4.039648244818  -0.087476772560  -0.007293067094  0.142033533027  0.003770755738  0.000760852492  -0.001258514272
  24  Al  4.057036770957  4.046127332945  0.040313473430  0.054815390647  -0.042769555891  -0.117750160273  0.000993413748  -0.000556904397  0.005303617900
  25  Al  4.036755346117  6.110974586242  2.059090935412  0.028521925094  -0.069188417419  -0.069830579231  -0.001753961148  0.004760864444  0.004511690845
  26  Al  6.056161778779  4.076995506399  2.000096063160  -0.005766872665  0.033019016422  0.045822454024  -0.002534271955  0.003652519253  -0.003302549045
  27  Al  6.060557275590  6.091198436960  0.032792269863  0.019103686904  -0.062002569294  -0.058332316030  -0.001917573871  0.002116674905  0.004349274193
  28  Al  4.057675122749  4.065130167142  4.077244071575  -0.020445776183  -0.006213062932  -0.125005573720  0.001010359419  0.002021627809  0.003538033542
  29  Al  4.018518103236  6.085277999232  6.122597502614  0.168142348481  -0.027458286238  -0.110927049666  -0.004067934448  0.001353775230  0.006280266796
  30  Al  6.083649203310  4.017100790942  6.081729980787  -0.005359141282  0.030204046447  0.022549271853  0.001155929304  -0.004388265205  0.000930023394
  31  Al  6.105267455071  6.061492714238  4.047036919417  -0.066007909874  0.038986068274  -0.088562247839  0.003999271138  -0.001777533186  -0.000476320192


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)
  -82.428162458748  -0.059117637064  0.007925566901
  -0.059117637064  -82.524638197349  -0.274137844917
  0.007925566901  -0.274137844917  -81.418927881384
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.064880376318  8.089744094260  8.083669395419  0.098117297818  0.009141981293  -0.074643026012  -0.004327019313  -0.001283046526  -0.002127014742
  1  Al  8.083580465230  2.001157742790  1.993090363665  0.094475848967  0.056309598761  0.000731341329  -0.001974280608  -0.002947703082  -0.004015144874
  2  Al  2.004968582610  8.067174122352  2.007376842264  0.045410184577  0.002464493023  0.075343795862  -0.002477032858  -0.004134480517  -0.002144004271
  3  Al  2.003560920546  2.014936830555  8.093994325640  0.020857335712  -0.014456781380  -0.128215622572  -0.002676130476  -0.001280443438  -0.000881369016
  4  Al  0.005694143620  8.074754167240  4.100957327955  0.077118933625  0.011008220453  -0.141826865931  0.000791586337  -0.003166802239  0.006279124838
  5  Al  0.004570036206  2.024482600652  6.094352113236  -0.013406061255  -0.024178958170  -0.050928957876  0.000560939160  -0.000086339219  0.002387879270
  6  Al  2.015842927675  8.094827707612  6.067590952517  -0.045509948581  0.129172189491  0.028547252278  -0.001198444647  -0.000525624392  -0.000907346957
  7  Al  2.022561729749  2.031982205503  4.069781978300  -0.016296374071  -0.052351787514  0.032514398768  -0.000323299388  0.000827365631  0.002521275417
  8  Al  8.086178135770  4.080765178542  8.056115645758  -0.003875612976  -0.087611201308  0.079965847830  -0.001742575678  0.003788052301  -0.005446520645
  9  Al  0.010104596409  6.070852868653  2.021787964099  0.003983761806  -0.003226983609  0.062030895544  0.001279196909  -0.000524360435  -0.000343195194
  10  Al  2.044564851379  4.013715742571  2.019885281124  -0.041684274664  0.228907090810  0.093402101766  0.002424756231  -0.004343100716  -0.000555337812
  11  Al  2.032706652513  6.085706426944  0.036441382910  -0.072911085823  0.012728751062  0.082180574666  0.000897881528  0.001362895748  0.004669723916
  12  Al  8.081934899620  4.061749227031  4.022021174584  0.119851140375  0.013566238302  0.112503691501  -0.002158084589  0.001496219530  -0.003411751026
  13  Al  0.002858487332  6.063377619666  6.045190119261  -0.004045288531  0.013480569496  0.059095415124  0.000360181945  -0.001449108893  -0.003694618415
  14  Al  2.019430609549  4.037368085648  6.088026519980  -0.068755881046  -0.093584351279  -0.070198703376  -0.000769833052  -0.001680136284  0.001573432947
  15  Al  2.056340521871  6.079810251984  4.017130035681  -0.137876304215  -0.050716290428  -0.028746196988  0.003811867102  0.000557165993  -0.004170373555
  16  Al  4.087173801975  0.039823284307  8.098491719477  -0.016396929648  -0.005863210874  0.106050627330  0.004661249966  0.005009755677  -0.000087273627
  17  Al  4.005818390822  1.990414189739  2.019669871650  0.150757990387  0.060608018279  -0.014222908888  -0.005414471844  -0.004295093415  -0.000684632807
  18  Al  6.104480517540  8.066487199177  1.985333444398  -0.143750487555  -0.017998298731  0.055429224332  0.003573141203  -0.004238098391  -0.004942843470
  19  Al  6.087545449860  2.063560375592  8.051837832682  -0.117616543091  -0.123619419169  0.004650560207  0.001464468072  0.004738132420  -0.006062965037
  20  Al  4.061464635679  0.041984669728  4.053918409098  -0.057588870230  -0.134950456782  -0.029122007135  0.001388293240  0.005155013224  0.000465848843
  21  Al  4.058624491528  2.013086809748  6.083250572201  0.022777051415  0.051130190082  0.083028017293  0.001107057672  -0.001452246980  0.001119322300
  22  Al  6.075401139528  0.003188296916  6.079551861698  0.016120481927  0.140988110304  0.049190518635  0.000067906934  0.000538095939  0.000621109483
  23  Al  6.105582213009  2.031102313270  4.039025336530  -0.093691204763  -0.007466066034  0.150429919432  0.003759851027  0.000760603501  -0.001234105116
  24  Al  4.057535928059  4.045846968963  0.042960018990  0.058336875176  -0.046308142984  -0.126480099029  0.001004943827  -0.000565663989  0.005289227895
  25  Al  4.035879640463  6.113351925766  2.061343659433  0.031669336745  -0.073304673479  -0.075379870586  -0.001751044494  0.004754817545  0.004505049495
  26  Al  6.054894385025  4.078823241963  1.998446836885  -0.005466871320  0.033725154700  0.049867895767  -0.002538849394  0.003663642306  -0.003298636864
  27  Al  6.059599342582  6.092254002920  0.034964299526  0.019502851193  -0.066492134007  -0.063618032464  -0.001916820187  0.002108154566  0.004344486305
  28  Al  4.058179388539  4.066140703325  4.079007500641  -0.021528271273  -0.006578969228  -0.132184754255  0.001008025654  0.002023331826  0.003519994916
  29  Al  4.016491651914  6.085953659472  6.125732677613  0.178377879736  -0.029515549984  -0.116992129894  -0.004042645366  0.001350582606  0.006268713507
  30  Al  6.084226928410  4.014908008450  6.082196000428  -0.006304543946  0.033183985973  0.022088753072  0.001156514245  -0.004388775077  0.000935330376
  31  Al  6.107264140110  6.060605690308  4.046794800620  -0.070652416471  0.041808682932  -0.094491655730  0.003992673049  -0.001772805221  -0.000493379456


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)
  -82.313035115808  -0.065938580278  0.009234886468
  -0.065938580278  -82.419063036168  -0.308595963645
  0.009234886468  -0.308595963645  -81.172572481590
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.062721252469  8.089102979640  8.082602551532  0.106517967196  0.009860323084  -0.077983070670  -0.004315414915  -0.001283337191  -0.002143983053
  1  Al  8.082597547963  1.999686408267  1.991082823919  0.101936330071  0.059106132886  0.002447452165  -0.001959759562  -0.002941945666  -0.004021094277
  2  Al  2.003732096000  8.065106992255  2.006308207968  0.046222341237  0.004556281536  0.080828390298  -0.002472674168  -0.004140271201  -0.002133349754
  3  Al  2.002223787623  2.014295962623  8.093547909940  0.019809905376  -0.016446731927  -0.133923361165  -0.002676644245  -0.001285198532  -0.000906208877
  4  Al  0.006093383977  8.073171258184  4.104090550764  0.083156976389  0.012036956653  -0.152506508421  0.000807166174  -0.003169655685  0.006262519937
  5  Al  0.004849906540  2.024438350252  6.095543776365  -0.012059179660  -0.027069511072  -0.055769096147  0.000559529981  -0.000091061961  0.002382033219
  6  Al  2.015241671073  8.094570669366  6.067138555090  -0.049253616169  0.136630875582  0.029900453195  -0.001208790334  -0.000502640994  -0.000903522434
  7  Al  2.022399351613  2.032393548213  4.071044069391  -0.019132271275  -0.056087979835  0.033023716628  -0.000326973565  0.000818940733  0.002531058177
  8  Al  8.085306674692  4.082655288503  8.053395959880  -0.002279325948  -0.092669415815  0.086258543418  -0.001745832351  0.003777791757  -0.005440093653
  9  Al  0.010744372936  6.070590544190  2.021619139261  0.005049148802  -0.002595499217  0.066558738345  0.001281991815  -0.000525695906  -0.000332214379
  10  Al  2.045775366223  4.011554424278  2.019611787258  -0.046847509233  0.241973226769  0.100894169878  0.002420594009  -0.004307682215  -0.000538803129
  11  Al  2.033152334177  6.086388443789  0.038779918310  -0.078599789174  0.013662109944  0.086995657719  0.000885709610  0.001367374806  0.004692121976
  12  Al  8.080861214628  4.062497943202  4.020320327946  0.129350428228  0.013011271503  0.117888766258  -0.002139122261  0.001500922302  -0.003396419307
  13  Al  0.003038397482  6.062653667796  6.043345451598  -0.003589196341  0.015178871042  0.061668613275  0.000360057597  -0.001448792709  -0.003689541804
  14  Al  2.019042619660  4.036523834319  6.088810098597  -0.074079984990  -0.098841089411  -0.076342022634  -0.000783817566  -0.001699974316  0.001562754927
  15  Al  2.058240292401  6.080086567980  4.015043563959  -0.147981209866  -0.053174266631  -0.029641588503  0.003792190380  0.000548728903  -0.004182076524
  16  Al  4.089503694021  0.042327900062  8.098452823088  -0.018857998080  -0.007524330390  0.113475795816  0.004665330495  0.005016335270  -0.000067753155
  17  Al  4.003117893728  1.988269352188  2.019326919488  0.157625662164  0.063584986096  -0.013701225404  -0.005395266424  -0.004290642094  -0.000688196061
  18  Al  6.106260662547  8.064367345464  1.982864500329  -0.150574846916  -0.018086683235  0.061458834504  0.003552335636  -0.004247909562  -0.004940051935
  19  Al  6.088272426479  2.065923916058  8.048806558042  -0.122422480777  -0.133268526038  0.007917359894  0.001445249212  0.004722487723  -0.006071253259
  20  Al  4.062156208097  0.044556144103  4.054150031776  -0.063011497226  -0.143730520666  -0.031929871399  0.001379650417  0.005138064482  0.000461105664
  21  Al  4.059179038490  2.012362971759  6.083813944673  0.022476257462  0.053731053000  0.086538583402  0.001112828416  -0.001445112705  0.001136242860
  22  Al  6.075435813575  0.003463647003  6.079864615238  0.018407326609  0.148982629331  0.050662076494  0.000071103923  0.000564894826  0.000631014445
  23  Al  6.107457950559  2.031482281290  4.038415008136  -0.097410679060  -0.008877482396  0.157762610793  0.003748577780  0.000760321066  -0.001208426254
  24  Al  4.058041007610  4.045562067011  0.045598979322  0.059955760832  -0.049172179866  -0.134047632049  0.001017095827  -0.000575091380  0.005274112945
  25  Al  4.035005533824  6.115726057846  2.063592814727  0.032964106284  -0.076290231179  -0.079814716479  -0.001747976060  0.004748805567  0.004498148336
  26  Al  6.053624715961  4.080656570619  1.996799747530  -0.002851655021  0.034720575933  0.055516174279  -0.002543536108  0.003675459079  -0.003294322532
  27  Al  6.058641804259  6.093305108029  0.037133698976  0.021864149979  -0.069572532808  -0.067987197873  -0.001916092374  0.002099244777  0.004339447996
  28  Al  4.058682439060  4.067152075160  4.080761589488  -0.024687544710  -0.006279818754  -0.140325454316  0.001005452667  0.002025321957  0.003501060117
  29  Al  4.014478302658  6.086627631441  6.128861804861  0.186516014000  -0.030130000841  -0.124330398883  -0.004016250191  0.001347339010  0.006256838931
  30  Al  6.084804903722  4.012715104223  6.082664652975  -0.005069820284  0.036573478317  0.019870868460  0.001157291443  -0.004389343263  0.000940539580
  31  Al  6.109257318497  6.059721156531  4.046543887149  -0.073143769899  0.046208028405  -0.101364660882  0.003985996951  -0.001767676880  -0.000511682090


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)
  -82.190100119104  -0.072899086960  0.010984374074
  -0.072899086960  -82.306914476648  -0.344401169714
  0.010984374074  -0.344401169714  -80.913333646188
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.060568306327  8.088461751797  8.081527074190  0.110862791216  0.010283914726  -0.083929287225  -0.004303281430  -0.001283714036  -0.002162125788
  1  Al  8.081622224699  1.998218077457  1.989072386181  0.105327182634  0.064444442346  0.000863406052  -0.001944529102  -0.002935880837  -0.004027630866
  2  Al  2.002497825038  8.063037060319  2.005245146091  0.050011344809  0.006186062820  0.083709501199  -0.002468258163  -0.004146344810  -0.002122240409
  3  Al  2.000886350996  2.013652628194  8.093088819175  0.021957880791  -0.015561744915  -0.142538217397  -0.002677452334  -0.001290248879  -0.000932506271
  4  Al  0.006500684151  8.071586968389  4.107214993746  0.086081427748  0.012569259763  -0.159984012511  0.000823693300  -0.003172838392  0.006245177991
  5  Al  0.005129132490  2.024391609274  6.096732300116  -0.014277472136  -0.027568525022  -0.057760545064  0.000558122317  -0.000096109605  0.002375914313
  6  Al  2.014635074288  8.094325456220  6.066688130413  -0.049705872778  0.143536612819  0.033788719380  -0.001219706383  -0.000478405802  -0.000899354356
  7  Al  2.022235009625  2.032800511467  4.072311074628  -0.018509568851  -0.057633362014  0.036617722444  -0.000330900066  0.000810148484  0.002541595701
  8  Al  8.084433656631  4.084540042092  8.050679768780  -0.004436776287  -0.097526216021  0.089588447843  -0.001749400494  0.003767179144  -0.005433590742
  9  Al  0.011385594539  6.070327580219  2.021456007223  0.002308269034  -0.004337599966  0.068311500647  0.001284829181  -0.000527210093  -0.000320701123
  10  Al  2.046983569161  4.009411399287  2.019346895627  -0.048748151413  0.255204055085  0.105491872242  0.002416146640  -0.004270479476  -0.000521236604
  11  Al  2.033591675600  6.087072741883  0.041129867973  -0.080963341441  0.011912711506  0.088296994412  0.000872925635  0.001371988653  0.004715793007
  12  Al  8.079797435416  4.063248985952  4.018627387877  0.134617615594  0.012958219304  0.126101653563  -0.002119118636  0.001505798431  -0.003380341238
  13  Al  0.003218265844  6.061929949931  6.041503437261  -0.007054736079  0.014189262886  0.067068122846  0.000359716269  -0.001448624703  -0.003684282945
  14  Al  2.018647399528  4.035669428999  6.089588063600  -0.075872125526  -0.103550014365  -0.079193160822  -0.000798577905  -0.001720987463  0.001551482168
  15  Al  2.060129772884  6.080358555561  4.012951200729  -0.154984891979  -0.057661672633  -0.027505457351  0.003771503505  0.000539735872  -0.004194300750
  16  Al  4.091835516323  0.044835731362  8.098424018838  -0.017320115112  -0.009478561512  0.117895487920  0.004670018538  0.005023336943  -0.000047148713
  17  Al  4.000427306327  1.986126873367  2.018982209017  0.168631825132  0.069093757526  -0.016035021391  -0.005375217898  -0.004286051679  -0.000692028435
  18  Al  6.108030099724  8.062242582215  1.980397221550  -0.160709504380  -0.018185418985  0.064108777593  0.003530496265  -0.004258376281  -0.004937201878
  19  Al  6.088989578844  2.068279202865  8.045771285315  -0.130433563604  -0.140650231289  0.009169207164  0.001425061575  0.004705982935  -0.006080040070
  20  Al  4.062843216714  0.047118751641  4.054379157355  -0.065054270276  -0.152453437361  -0.031752743404  0.001370526426  0.005120272011  0.000456186371
  21  Al  4.059736457378  2.011642817165  6.084385934347  0.025718495847  0.059060456197  0.092806505341  0.001119035352  -0.001437467783  0.001154234255
  22  Al  6.075472188337  0.003752753886  6.080182387037  0.017409761664  0.156382994160  0.055194324298  0.000074432213  0.000593200614  0.000641566301
  23  Al  6.109327885227  2.031862045002  4.037817846941  -0.104699727310  -0.007468767333  0.167688775325  0.003736848542  0.000760149260  -0.001181335182
  24  Al  4.058552235525  4.045272323343  0.048230043914  0.065091702096  -0.052001956566  -0.145036875458  0.001030022337  -0.000585128902  0.005258082939
  25  Al  4.034133019278  6.118097050484  2.065838321206  0.038275846990  -0.081706465745  -0.086931592290  -0.001744566788  0.004742726460  0.004490859747
  26  Al  6.052352820439  4.082495852155  1.995155067817  -0.003234054792  0.035730348183  0.058641670975  -0.002548403343  0.003688013783  -0.003289697632
  27  Al  6.057684735392  6.094351620550  0.039300383970  0.021079768681  -0.075095338599  -0.075754342367  -0.001915502727  0.002089856860  0.004333949831
  28  Al  4.059184061870  4.068164455433  4.082505847049  -0.023666930534  -0.005684473852  -0.145218539514  0.001002831041  0.002027692187  0.003481438692
  29  Al  4.012478514761  6.087299954146  6.131984666802  0.198340820730  -0.033468426253  -0.128598991217  -0.003988610650  0.001343933240  0.006244821102
  30  Al  6.085383322824  4.010522067413  6.083135810986  -0.007191923343  0.041063946638  0.019979583234  0.001158159985  -0.004389849588  0.000945706503
  31  Al  6.111247047472  6.058839383573  4.046283515140  -0.078851707124  0.047416168469  -0.105083486469  0.003979159013  -0.001762296550  -0.000531039275


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)
  -82.061417482151  -0.080715841500  0.012204439493
  -0.080715841500  -82.188342483734  -0.382028958910
  0.012204439493  -0.382028958910  -80.638984566697
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.058421621139  8.087820354466  8.080442259687  0.119699671942  0.010715611887  -0.087185471481  -0.004290588187  -0.001284206876  -0.002181449492
  1  Al  8.080654668235  1.996753017682  1.987058609341  0.112925783150  0.066590359089  0.002988537833  -0.001928576901  -0.002929573355  -0.004034733165
  2  Al  2.001265931445  8.060964164429  2.004187767671  0.050003173765  0.008523069688  0.089656520560  -0.002463864341  -0.004152694197  -0.002110637085
  3  Al  1.999548606339  2.013006808150  8.092616194633  0.019553210452  -0.018421008642  -0.147730847960  -0.002678685158  -0.001295678267  -0.000960228351
  4  Al  0.006916378610  8.070001111035  4.110330431514  0.092103747036  0.013028275855  -0.170494242835  0.000841175433  -0.003176412501  0.006227126499
  5  Al  0.005407555450  2.024342322168  6.097917675397  -0.012609047798  -0.031414861558  -0.063333806134  0.000556746233  -0.000101570139  0.002369461736
  6  Al  2.014022999262  8.094092669354  6.066239963579  -0.054094914293  0.149961917336  0.034545813715  -0.001231258557  -0.000453003326  -0.000894896954
  7  Al  2.022068732221  2.033203009518  4.073583509277  -0.021903352201  -0.062002947154  0.036927501104  -0.000335131484  0.000800931314  0.002552882289
  8  Al  8.083558758062  4.086419272277  8.047966977980  -0.002601320780  -0.102299645000  0.095990850794  -0.001753265590  0.003756247532  -0.005427016399
  9  Al  0.012028112308  6.070063781284  2.021298710161  0.003162730099  -0.002945268816  0.073509195014  0.001287694904  -0.000528837218  -0.000308592004
  10  Al  2.048189463456  4.007287567078  2.019090992773  -0.055058729287  0.268145118959  0.113813533902  0.002411316799  -0.004231502261  -0.000502558400
  11  Al  2.034024519385  6.087759268704  0.043491711321  -0.087209930745  0.013544622171  0.092345545666  0.000859477350  0.001376805607  0.004740691925
  12  Al  8.078743893457  4.064002464396  4.016942853957  0.144205768144  0.012643788429  0.131292697832  -0.002098064295  0.001510875763  -0.003363538245
  13  Al  0.003397808635  6.061206271835  6.039664293709  -0.006530650629  0.016886123269  0.068734651640  0.000359164633  -0.001448520031  -0.003678932255
  14  Al  2.018244719119  4.034804306619  6.090360264778  -0.081642816186  -0.107903456819  -0.086098415606  -0.000814162277  -0.001743108400  0.001539546667
  15  Al  2.062008596868  6.080625846041  4.010852820870  -0.165983922191  -0.059300247758  -0.027550818025  0.003749729771  0.000530258226  -0.004206987320
  16  Al  4.094169751390  0.047346976145  8.098405714368  -0.019734137762  -0.012169873015  0.125205231464  0.004675334894  0.005030686418  -0.000025462679
  17  Al  3.997747235160  1.983986935994  2.018635478040  0.175144522246  0.070885656758  -0.014436892616  -0.005354366767  -0.004281439611  -0.000696037235
  18  Al  6.109788164199  8.060112581192  1.977931486250  -0.166786341197  -0.018184807110  0.071125046159  0.003507692305  -0.004269507722  -0.004934218857
  19  Al  6.089696279298  2.070625907318  8.042731675141  -0.134102655584  -0.151306328234  0.013136015954  0.001404003510  0.004688535572  -0.006089284619
  20  Al  4.063525572025  0.049672073033  4.054605831204  -0.070668522191  -0.161375424896  -0.034605691412  0.001360904644  0.005101631706  0.000451086517
  21  Al  4.060297124662  2.010926723255  6.084967199892  0.025307182967  0.061044285559  0.095245052126  0.001125674600  -0.001429368603  0.001173211253
  22  Al  6.075510182654  0.004056344457  6.080505637354  0.020387295955  0.163502381476  0.055888505109  0.000077955120  0.000622947873  0.000652701678
  23  Al  6.111191629458  2.032241785781  4.037234674978  -0.107650605188  -0.009796863095  0.174614019426  0.003724739098  0.000760008426  -0.001152861324
  24  Al  4.059070156269  4.044977434423  0.050852602287  0.066592976071  -0.054141271802  -0.153188760555  0.001043721185  -0.000595717510  0.005241094950
  25  Al  4.033262446801  6.120464761464  2.068079865269  0.039835535283  -0.083685404653  -0.090928404979  -0.001740796568  0.004736682752  0.004483233621
  26  Al  6.051078474206  4.084341456181  1.993512840262  0.000672933640  0.037001304000  0.065340021596  -0.002553344858  0.003701347291  -0.003284676083
  27  Al  6.056727926286  6.095393192246  0.041463972694  0.023858351324  -0.077423475448  -0.080655805034  -0.001915019726  0.002080060829  0.004327954717
  28  Al  4.059684419487  4.069178047433  4.084240075179  -0.027067746074  -0.004907048520  -0.152878956953  0.001000141297  0.002030492869  0.003461177073
  29  Al  4.010493075200  6.087970424739  6.135101329025  0.205846626301  -0.033299166904  -0.135997907283  -0.003959784915  0.001340438230  0.006232669587
  30  Al  6.085962081340  4.008328978163  6.083609557318  -0.005424989081  0.045437873633  0.016559503973  0.001159171454  -0.004390219146  0.000950727771
  31  Al  6.113233102335  6.057960354784  4.046013298309  -0.080229827186  0.052666711316  -0.111832222996  0.003972268611  -0.001756591245  -0.000551449159


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)
  -81.924499545775  -0.087768551478  0.014551410599
  -0.087768551478  -82.063164383905  -0.421192416901
  0.014551410599  -0.421192416901  -80.352017181290
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.056281677577  8.087178730013  8.079347637782  0.125417849705  0.012202534126  -0.091156884433  -0.004277220195  -0.001284724725  -0.002201792068
  1  Al  8.079695427527  1.995291207570  1.985041376345  0.117506694462  0.071502803864  0.001847770782  -0.001911795926  -0.002923067840  -0.004042376954
  2  Al  2.000036234399  8.058888198309  2.003136456743  0.053458076177  0.012017455539  0.092833221154  -0.002459528802  -0.004159167372  -0.002098515198
  3  Al  1.998210137781  2.012358145604  8.092129476942  0.021311875402  -0.018066675753  -0.153982055764  -0.002680386918  -0.001301540550  -0.000989177517
  4  Al  0.007341083330  8.068413487144  4.113436373732  0.096008075580  0.014708645426  -0.180117137313  0.000859710085  -0.003180286645  0.006208185252
  5  Al  0.005685364947  2.024290132866  6.099099575266  -0.013536939666  -0.032403932406  -0.065617224277  0.000555518656  -0.000107490245  0.002362653886
  6  Al  2.013404951960  8.093872870935  6.065794059287  -0.054345409096  0.157458868858  0.038276299818  -0.001243437272  -0.000426371965  -0.000890165145
  7  Al  2.021900187407  2.033600703666  4.074861601068  -0.021418109107  -0.063903593228  0.038343210965  -0.000339683034  0.000791256188  0.002564735449
  8  Al  8.082682008989  4.088292823286  8.045257760537  -0.003708142838  -0.108015804681  0.101223200108  -0.001757340593  0.003744927367  -0.005420214498
  9  Al  0.012672101132  6.069799231022  2.021147699993  0.001334978882  -0.004235490592  0.075240900945  0.001290675600  -0.000530539122  -0.000295884993
  10  Al  2.049392660750  4.005183801938  2.018844800997  -0.057360856694  0.279713028664  0.118733213232  0.002406073596  -0.004190897012  -0.000482733328
  11  Al  2.034450359808  6.088448276947  0.045866185096  -0.089592951410  0.011985078537  0.094759861450  0.000845360221  0.001381848700  0.004766942754
  12  Al  8.077701307255  4.064758467450  4.015266953571  0.150727516970  0.011108296132  0.137547221073  -0.002075844743  0.001516028012  -0.003346189407
  13  Al  0.003577099034  6.060482766623  6.037827899996  -0.009053816441  0.016281398791  0.073988480293  0.000358487605  -0.001448448693  -0.003673512116
  14  Al  2.017833988576  4.033927929174  6.091126189544  -0.083292738458  -0.113251981765  -0.089447832272  -0.000830566763  -0.001766408595  0.001526903517
  15  Al  2.063876042332  6.080888324454  4.008748095699  -0.172935608377  -0.063362894108  -0.026328358219  0.003726876430  0.000520331785  -0.004220235569
  16  Al  4.096506536728  0.049861775365  8.098398579657  -0.019548896782  -0.013610284429  0.131148519482  0.004681175407  0.005038447863  -0.000002549932
  17  Al  3.995077880673  1.981849384752  2.018286814099  0.184538758782  0.076114605515  -0.016283618750  -0.005332865722  -0.004276842476  -0.000700182502
  18  Al  6.111534555062  8.057977014477  1.975467556085  -0.176330450262  -0.016816221009  0.074639035211  0.003483978453  -0.004281190058  -0.004931039237
  19  Al  6.090392286713  2.072963411765  8.039687620006  -0.141560785084  -0.159179540323  0.016803907684  0.001382120697  0.004670108637  -0.006098792617
  20  Al  4.064202865489  0.052215675463  4.054829827601  -0.073971873582  -0.169253415218  -0.036054449648  0.001350672367  0.005082227364  0.000445659923
  21  Al  4.060861093184  2.010214767611  6.085558062938  0.027276747709  0.066140322996  0.100948874233  0.001132638432  -0.001420837041  0.001193134579
  22  Al  6.075550071518  0.004375126891  6.080834486389  0.019388053673  0.171390262668  0.059914676243  0.000081674182  0.000654194030  0.000664381748
  23  Al  6.113049187064  2.032621352078  4.036666049500  -0.114600749179  -0.008815971231  0.182333659841  0.003712286660  0.000759862560  -0.001123194456
  24  Al  4.059594993543  4.044677155572  0.053466302280  0.070596200415  -0.057791832845  -0.162666275944  0.001058099746  -0.000606936831  0.005223293207
  25  Al  4.032393829151  6.122829362133  2.070317417612  0.044271796943  -0.088523964586  -0.098042381269  -0.001736747231  0.004730738767  0.004475280806
  26  Al  6.049801831857  4.086193783771  1.991873422896  0.000838331141  0.036571241021  0.068917181205  -0.002558320949  0.003715347411  -0.003279225057
  27  Al  6.055771482883  6.096429761859  0.043624344767  0.023128087337  -0.082739038515  -0.087340049727  -0.001914644386  0.002069877766  0.004321569951
  28  Al  4.060183280216  4.070193074524  4.085963830081  -0.027316937075  -0.005159006165  -0.159073810861  0.000997271766  0.002033655955  0.003440161722
  29  Al  4.008522384012  6.088639155393  6.138211584761  0.216197764506  -0.036173525947  -0.140330240425  -0.003929905898  0.001336898373  0.006220393598
  30  Al  6.086541424572  4.006135899646  6.084085661407  -0.007557633974  0.049517628805  0.015910710372  0.001160329005  -0.004390501852  0.000955539631
  31  Al  6.115215650397  6.057084413344  4.045732574869  -0.085868909657  0.054591001858  -0.116969625189  0.003965341748  -0.001750499757  -0.000573048758


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)
  -81.781260612028  -0.095620058659  0.016842806765
  -0.095620058659  -81.931034173008  -0.462602306221
  0.016842806765  -0.462602306221  -80.050985235664
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.054148673613  8.086536913099  8.078242667068  0.132426723555  0.013009350410  -0.095410519982  -0.004263347912  -0.001285237872  -0.002223257655
  1  Al  8.078744782070  1.993832869799  1.983020270463  0.123144101292  0.075394774685  0.002801441080  -0.001894360409  -0.002916213807  -0.004050682293
  2  Al  1.998808859555  8.056809151799  2.002091348756  0.055111847674  0.015251784890  0.097323201015  -0.002455108491  -0.004165698122  -0.002086006448
  3  Al  1.996870896955  2.011706567755  8.091628005241  0.020939039910  -0.019050741064  -0.160048605049  -0.002682384796  -0.001307674197  -0.001019446465
  4  Al  0.007775229899  8.066824001292  4.116532415187  0.100404947057  0.015980361680  -0.189599084377  0.000879162072  -0.003184398968  0.006188456415
  5  Al  0.005962519179  2.024234939299  6.100277969143  -0.013407626742  -0.034551919774  -0.070045106547  0.000554303226  -0.000113720887  0.002355597289
  6  Al  2.012780804104  8.093666723307  6.065350687651  -0.056386755580  0.164039699595  0.040659634081  -0.001256040859  -0.000398488155  -0.000885013733
  7  Al  2.021729388508  2.033993475292  4.076145682720  -0.023032755653  -0.066465904048  0.039720830174  -0.000344398387  0.000781283324  0.002577263075
  8  Al  8.081803172940  4.090160458702  8.042552177929  -0.003368488603  -0.113105909624  0.106450166611  -0.001761766259  0.003733196685  -0.005413303299
  9  Al  0.013317498605  6.069533772136  2.021003120738  0.000446587033  -0.004508599876  0.078795198652  0.001293619989  -0.000532467221  -0.000282722969
  10  Al  2.050593133538  4.003100856504  2.018608741665  -0.061858856588  0.291770172853  0.125628899724  0.002400583811  -0.004148738913  -0.000461881946
  11  Al  2.034869035146  6.089139737025  0.048253892204  -0.093567482810  0.011586232040  0.096765224050  0.000830774438  0.001386941995  0.004794387104
  12  Al  8.076670122350  4.065516977993  4.013600007179  0.158588290185  0.009784330609  0.143829163573  -0.002052611332  0.001521170825  -0.003328200057
  13  Al  0.003755938134  6.059759270049  6.035994451196  -0.010514560078  0.017064970253  0.077404688419  0.000357507909  -0.001448586307  -0.003667874479
  14  Al  2.017414982039  4.033039662554  6.091885643016  -0.086857927066  -0.117752860567  -0.094850625922  -0.000847602969  -0.001790916040  0.001513686280
  15  Al  2.065731750387  6.081145658048  4.006636801046  -0.181875463114  -0.066683150187  -0.024630360415  0.003703129282  0.000509803351  -0.004233906693
  16  Al  4.098846250603  0.052380390922  8.098403166983  -0.020332827564  -0.016293738407  0.136918889406  0.004687702467  0.005046639702  0.000021461307
  17  Al  3.992419696628  1.979714365809  2.017935994976  0.192664359936  0.079854059078  -0.016109468150  -0.005310577520  -0.004272096662  -0.000704595389
  18  Al  6.113268662381  8.055835667769  1.973005372805  -0.184074722221  -0.015813673187  0.080329967326  0.003459206038  -0.004293350579  -0.004927794487
  19  Al  6.091077019345  2.075291350815  8.036638974827  -0.146798930125  -0.168657191327  0.020543843905  0.001359268002  0.004650813305  -0.006108605366
  20  Al  4.064874895157  0.054749223578  4.055051045941  -0.077917385857  -0.177749730444  -0.037394730015  0.001339978503  0.005062104064  0.000440041012
  21  Al  4.061428631661  2.009507305539  6.086159142606  0.028245595765  0.069827817840  0.104601642379  0.001140056591  -0.001411720972  0.001214124614
  22  Al  6.075591775248  0.004709884989  6.081169355427  0.020184063580  0.178471566929  0.061964270231  0.000085395755  0.000686950406  0.000676734624
  23  Al  6.114900207781  2.033000889287  4.036112602521  -0.119302007359  -0.009328893555  0.190044876679  0.003699340471  0.000759876409  -0.001092255671
  24  Al  4.060127199041  4.044371103883  0.056070677759  0.073186302012  -0.060297766562  -0.172309177124  0.001073264499  -0.000618826267  0.005204551858
  25  Al  4.031527434468  6.125190774527  2.072550675556  0.047798650731  -0.092035900321  -0.103757289886  -0.001732245663  0.004724769106  0.004466857045
  26  Al  6.048522708856  4.088053092198  1.990236890941  0.003245878057  0.036680949755  0.074625058576  -0.002563474894  0.003729926504  -0.003273440084
  27  Al  6.054815194507  6.097461002336  0.045781225674  0.023852817243  -0.086588046801  -0.094313640740  -0.001914566321  0.002059173374  0.004314619465
  28  Al  4.060680695042  4.071209671896  4.087676800400  -0.028992347065  -0.004732426446  -0.165058668103  0.000994378619  0.002037157596  0.003418544517
  29  Al  4.006567095025  6.089305987636  6.141315508848  0.225173342638  -0.037600191596  -0.146022763018  -0.003898841707  0.001333173330  0.006208159794
  30  Al  6.087121251251  4.003942862140  6.084564142426  -0.007668542967  0.054317939338  0.013085760319  0.001161468396  -0.004390671988  0.000960199169
  31  Al  6.117194482961  6.056211603664  4.045440821990  -0.089455867273  0.058182633832  -0.121942716872  0.003958189681  -0.001744173018  -0.000595689848


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)
  -81.629986686432  -0.103282438941  0.019496350908
  -0.103282438941  -81.792476331617  -0.504437770586
  0.019496350908  -0.504437770586  -79.737230902112
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.052022919083  8.085894875676  8.077126773424  0.137790755278  0.013974076775  -0.099409429506  -0.004249009775  -0.001285796944  -0.002245864426
  1  Al  8.077803106363  1.992378133015  1.980995054540  0.127120958964  0.079775551343  0.002484552708  -0.001876322920  -0.002909064299  -0.004059591109
  2  Al  1.997583768789  8.054726984487  2.001052695844  0.058573931682  0.018985426104  0.101295524192  -0.002450608217  -0.004172279132  -0.002073040703
  3  Al  1.995530640525  2.011051879095  8.091111127893  0.022444792759  -0.019430997313  -0.165849747106  -0.002684710457  -0.001314151332  -0.001051010341
  4  Al  0.008219299000  8.065232516125  4.119618168384  0.103601061358  0.017197772431  -0.199266119544  0.000899478684  -0.003188801924  0.006167945759
  5  Al  0.006239071476  2.024176534397  6.101452636796  -0.014793340575  -0.036235643214  -0.073338883319  0.000553060156  -0.000120327311  0.002348205372
  6  Al  2.012150263207  8.093474811745  6.064909998256  -0.056154697293  0.170335111724  0.043702484122  -0.001269034618  -0.000369449054  -0.000879504282
  7  Al  2.021556159759  2.034381145952  4.077436089764  -0.022332564926  -0.068893711920  0.040949807618  -0.000349261128  0.000770963906  0.002590461314
  8  Al  8.080922139240  4.092022001252  8.039850284563  -0.004970949478  -0.118206525353  0.111828689000  -0.001766594252  0.003721116713  -0.005406282799
  9  Al  0.013964328562  6.069267336993  2.020865281371  -0.002196989367  -0.005304250366  0.081281254292  0.001296459515  -0.000534579852  -0.000269033964
  10  Al  2.051790660375  4.001039529069  2.018383416259  -0.064483886311  0.303380543025  0.131526235511  0.002394823099  -0.004105019227  -0.000439909056
  11  Al  2.035280239932  6.089833725923  0.050655411127  -0.095578765023  0.010564225394  0.098178899675  0.000815750031  0.001392139349  0.004822960432
  12  Al  8.075650905524  4.066278000762  4.011942336262  0.164650102377  0.008571740004  0.150048960175  -0.002028401520  0.001526339088  -0.003309575721
  13  Al  0.003934222091  6.059035739694  6.034163973919  -0.013751892920  0.017183196093  0.081809717359  0.000356161565  -0.001448872770  -0.003662103645
  14  Al  2.016987298036  4.032138941023  6.092638246367  -0.087965858639  -0.121977700910  -0.099349718495  -0.000865231568  -0.001816545667  0.001499790802
  15  Al  2.067575185260  6.081397579011  4.004518746731  -0.188689534007  -0.070194609644  -0.022327731429  0.003678501751  0.000498719076  -0.004247921308
  16  Al  4.101189192967  0.054902982449  8.098420017861  -0.019701664473  -0.018982653724  0.142538352036  0.004694973107  0.005055168093  0.000046552161
  17  Al  3.989773019896  1.977581886926  2.017582977194  0.202498864570  0.084266615143  -0.016634051981  -0.005287469117  -0.004267285737  -0.000709161450
  18  Al  6.114990037326  8.053688285614  1.970545066282  -0.193643100359  -0.014470292534  0.085137513585  0.003433372576  -0.004306008774  -0.004924381652
  19  Al  6.091750091487  2.077609218552  8.033585590446  -0.153793970220  -0.177415433194  0.024963128968  0.001335481400  0.004630575539  -0.006118676832
  20  Al  4.065541401529  0.057272330261  4.055269394916  -0.080745578622  -0.186208961141  -0.038637357771  0.001328865046  0.005041216253  0.000434247308
  21  Al  4.061999922524  2.008804566331  6.086770880569  0.030544579950  0.074380935201  0.108965323424  0.001147965243  -0.001402068879  0.001236073812
  22  Al  6.075635375346  0.005061337807  6.081510492520  0.018951315571  0.185139832361  0.064920208559  0.000089100333  0.000721123460  0.000689671779
  23  Al  6.116744545260  2.033380410493  4.035574969623  -0.126366542788  -0.009002513616  0.197359547636  0.003685895680  0.000759993877  -0.001060071733
  24  Al  4.060667102692  4.044058995461  0.058665251530  0.077521365557  -0.063048786908  -0.182385739913  0.001089254834  -0.000631312271  0.005184824088
  25  Al  4.030663448219  6.127549045108  2.074779466165  0.053198728433  -0.095913590671  -0.110183041326  -0.001727208005  0.004718871479  0.004458033080
  26  Al  6.047241116498  4.089919695075  1.988603506612  0.003874068769  0.036311911543  0.079500463299  -0.002568774602  0.003745106645  -0.003267211630
  27  Al  6.053858977559  6.098486718569  0.047934319620  0.022845339904  -0.091265534446  -0.101822830132  -0.001914816522  0.002048006165  0.004307038215
  28  Al  4.061176588404  4.072228039156  4.089378694595  -0.028821900333  -0.004425493748  -0.170675263579  0.000991501344  0.002041055596  0.003396378896
  29  Al  4.004627739339  6.089970893586  6.144413061580  0.235605461492  -0.039783889707  -0.150892988265  -0.003866583769  0.001329327215  0.006195934031
  30  Al  6.087701642668  4.001749954139  6.085044826939  -0.010056941042  0.059714345211  0.010909828324  0.001162570355  -0.004390623953  0.000964573407
  31  Al  6.119169579157  6.055342117898  4.045137526270  -0.095173150285  0.060979306057  -0.126627588118  0.003950813985  -0.001737535327  -0.000619343106


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)
  -81.472919734222  -0.111246802532  0.022506639866
  -0.111246802532  -81.646814731919  -0.548527708554
  0.022506639866  -0.548527708554  -79.409651315202
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.049904573393  8.085252601841  8.075999397646  0.146605249897  0.015566180725  -0.102974667688  -0.004234049415  -0.001286335239  -0.002269566644
  1  Al  8.076870627164  1.990927166804  1.978965370044  0.134320224346  0.082355905340  0.004026085894  -0.001857541173  -0.002901741507  -0.004069065744
  2  Al  1.996361082914  8.052641693563  2.000020703366  0.057975608673  0.024002414177  0.106094471104  -0.002446234632  -0.004178763851  -0.002059590457
  3  Al  1.994189288571  2.010393934871  8.090578209299  0.019973929768  -0.021659996133  -0.171081662878  -0.002687560550  -0.001321089906  -0.001083810400
  4  Al  0.008673669272  8.063638883897  4.122693234140  0.109492004423  0.019835672569  -0.209689838628  0.000920804816  -0.003193383597  0.006146576633
  5  Al  0.006514940297  2.024114751021  6.102623461260  -0.012581369027  -0.039656122719  -0.078105969731  0.000551977087  -0.000127426915  0.002340450727
  6  Al  2.011513235803  8.093297701136  6.064472199600  -0.059749021334  0.177413513436  0.046010093255  -0.001282566185  -0.000339198906  -0.000873643248
  7  Al  2.021380530937  2.034763548381  4.078733150863  -0.026131858058  -0.072791696751  0.041628581617  -0.000354469883  0.000760176105  0.002604280232
  8  Al  8.080038619915  4.093877275819  8.037152141866  -0.002976527193  -0.123909706616  0.117700450961  -0.001771683460  0.003708637581  -0.005399106933
  9  Al  0.014612460115  6.068999809969  2.020734397631  -0.001681436211  -0.004385974354  0.084579190694  0.001299324061  -0.000536772783  -0.000254835986
  10  Al  2.052985189518  3.999000580457  2.018169340907  -0.071371998486  0.313957966111  0.138495321326  0.002388581051  -0.004059863547  -0.000416799441
  11  Al  2.035683842611  6.090530267815  0.053071279904  -0.101473868994  0.011165833665  0.099893236715  0.000800111139  0.001397536006  0.004852661274
  12  Al  8.074644064564  4.067041553459  4.010294255536  0.174125645420  0.005780663681  0.155602969656  -0.002003065782  0.001531407050  -0.003290382828
  13  Al  0.004111688169  6.058312071391  6.032336578961  -0.013901281251  0.019225120251  0.085383562159  0.000354565699  -0.001449199585  -0.003656192954
  14  Al  2.016550750210  4.031225215831  6.093383700871  -0.093122119383  -0.127125499316  -0.105066720705  -0.000883604529  -0.001843371199  0.001485186753
  15  Al  2.069406001782  6.081643800875  4.002393788036  -0.199374207363  -0.072207424278  -0.020136073179  0.003652837106  0.000487192532  -0.004262251681
  16  Al  4.103535798863  0.057429717977  8.098449665355  -0.022156085918  -0.021220563544  0.148480768019  0.004702854142  0.005064089835  0.000072748860
  17  Al  3.987138336964  1.975452010744  2.017227652933  0.208742020960  0.086916942764  -0.016197426112  -0.005263713727  -0.004262516846  -0.000713860865
  18  Al  6.116698067837  8.051534634410  1.968086681072  -0.198786164501  -0.011766366545  0.091357166415  0.003406709353  -0.004319028777  -0.004920764808
  19  Al  6.092410957652  2.079916575916  8.030527367873  -0.156827292645  -0.188302867610  0.030181559175  0.001310952096  0.004609272387  -0.006128894478
  20  Al  4.066202224754  0.059784614914  4.055484791494  -0.086575642456  -0.193993010573  -0.040110861343  0.001317162010  0.005019632474  0.000428265731
  21  Al  4.062575270477  2.008106856693  6.087393788185  0.029425740620  0.077082866073  0.112213910870  0.001156184052  -0.001391968369  0.001258958588
  22  Al  6.075680772630  0.005430175221  6.081858230320  0.021622794614  0.192225220775  0.066680302486  0.000092957373  0.000756729879  0.000703174664
  23  Al  6.118581844561  2.033760005022  4.035053755657  -0.128698702602  -0.010618542423  0.203817511692  0.003672168783  0.000760118399  -0.001026744387
  24  Al  4.061215195286  4.043740521067  0.061249510997  0.078405429281  -0.066435342229  -0.191852717516  0.001105927874  -0.000644480891  0.005164130570
  25  Al  4.029802222180  6.129904193545  2.077003557563  0.055140639710  -0.098061361581  -0.116007795230  -0.001721777912  0.004713178863  0.004448806993
  26  Al  6.045956902367  4.091793871527  1.986973454439  0.008724454910  0.034852172745  0.085674334866  -0.002574009960  0.003760763377  -0.003260503445
  27  Al  6.052902590477  6.099506642115  0.050083287284  0.025664402183  -0.093928424779  -0.109167493912  -0.001915213229  0.002036483119  0.004298800302
  28  Al  4.061671050747  4.073248369136  4.091069254921  -0.032087193861  -0.004778087524  -0.176547420408  0.000988499187  0.002045287724  0.003373675465
  29  Al  4.002704978934  6.090633778868  6.147504283733  0.242479213830  -0.039902693299  -0.156706138800  -0.003833317374  0.001325479209  0.006183717927
  30  Al  6.088282478304  3.999557311372  6.085527601308  -0.008410979208  0.064448933084  0.007233734545  0.001163795653  -0.004390374641  0.000968589293
  31  Al  6.121140731944  6.054476075987  4.044822194510  -0.096791610144  0.065914274880  -0.131408465320  0.003943398569  -0.001730467978  -0.000644002994


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)
  -81.306560831030  -0.119235409642  0.026019473612
  -0.119235409642  -81.494745962733  -0.593345008713
  0.026019473612  -0.593345008713  -79.070913931598
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.047794101887  8.084610130024  8.074860011393  0.151494830187  0.015817999921  -0.105915113937  -0.004218513686  -0.001286920068  -0.002294285825
  1  Al  8.075947860643  1.989479977330  1.976931017137  0.137606924825  0.087960959322  0.003252910717  -0.001838073717  -0.002894140278  -0.004079162072
  2  Al  1.995140557087  8.050553384536  1.998995650522  0.062011037139  0.027854563931  0.109404248376  -0.002441941514  -0.004185154188  -0.002045714719
  3  Al  1.992846401123  2.009732421724  8.090028656810  0.022087074968  -0.021005086399  -0.175267472255  -0.002690889814  -0.001328403981  -0.001117718533
  4  Al  0.009138965933  8.062043078746  4.125757149396  0.111922170649  0.020528651668  -0.220177671666  0.000943083757  -0.003198201118  0.006124281977
  5  Al  0.006790366458  2.024049264949  6.103790195315  -0.014501272109  -0.040294702121  -0.081042619215  0.000551007617  -0.000134929951  0.002332367873
  6  Al  2.010869281951  8.093136032003  6.064037434611  -0.058323497602  0.182387469150  0.049717442797  -0.001296537675  -0.000307844011  -0.000867370472
  7  Al  2.021202127911  2.035140382671  4.080037151761  -0.024507321407  -0.073851434740  0.041479346008  -0.000359945311  0.000749039754  0.002618609075
  8  Al  8.079152645135  4.095726055890  8.034457849567  -0.005061133174  -0.128337795204  0.123760614733  -0.001777083972  0.003695823948  -0.005391725666
  9  Al  0.015262046986  6.068731227526  2.020610760298  -0.005193312264  -0.006066110341  0.086327747204  0.001302140115  -0.000539127592  -0.000240189839
  10  Al  2.054176289741  3.996984682491  2.017967131877  -0.073215983894  0.325304104100  0.144105343723  0.002381930484  -0.004013287488  -0.000392569418
  11  Al  2.036079362335  6.091229534927  0.055502075733  -0.102472511570  0.008780557888  0.100976756741  0.000783943878  0.001403015620  0.004883485061
  12  Al  8.073650315026  4.067807515378  4.008656019519  0.179612031415  0.004674854189  0.160792157417  -0.001976649620  0.001536389577  -0.003270714439
  13  Al  0.004288349636  6.057588330955  6.030512299098  -0.017655674832  0.018078206494  0.090535134115  0.000352673693  -0.001449684069  -0.003650082550
  14  Al  2.016104785420  4.030297847767  6.094121597803  -0.093284422616  -0.129876225990  -0.109029910346  -0.000902647277  -0.001871277083  0.001469919355
  15  Al  2.071223508379  6.081884169495  4.000261762120  -0.205101129741  -0.076922730065  -0.017773282641  0.003626231063  0.000475112146  -0.004276908804
  16  Al  4.105886235565  0.059960814343  8.098492676822  -0.020860638446  -0.025062281634  0.154452858137  0.004711421309  0.005073318477  0.000100094620
  17  Al  3.984515810793  1.973324637478  2.016869998482  0.218692279893  0.092417485543  -0.017115245676  -0.005239305016  -0.004257701927  -0.000718732585
  18  Al  6.118392536843  8.049374594069  1.965630382300  -0.208874124713  -0.010497017215  0.095917271175  0.003379167658  -0.004332433447  -0.004916977002
  19  Al  6.093059423576  2.082212795039  8.027464269739  -0.164331062921  -0.196234172286  0.036353988847  0.001285627919  0.004586980027  -0.006139120532
  20  Al  4.066856935859  0.062285759733  4.055697131418  -0.088728516463  -0.202968782731  -0.041767364590  0.001304927941  0.004997310417  0.000422057841
  21  Al  4.063154677823  2.007414318084  6.088028283401  0.032451251225  0.082552063296  0.116683693552  0.001164784581  -0.001381336426  0.001282801571
  22  Al  6.075728217847  0.005817132559  6.082212798237  0.019095121210  0.197805681827  0.070010564289  0.000096852696  0.000793689436  0.000717284505
  23  Al  6.120412176166  2.034139589577  4.034549494033  -0.136432734815  -0.009298525347  0.209908879209  0.003658103957  0.000760341041  -0.000992372075
  24  Al  4.061771663917  4.043415310986  0.063823000534  0.083107702294  -0.068234520847  -0.201464115830  0.001123326576  -0.000658254534  0.005142516935
  25  Al  4.028943797991  6.132256399668  2.079222775552  0.061612475672  -0.102986289359  -0.123116385850  -0.001715860918  0.004707608132  0.004439124895
  26  Al  6.044670287367  4.093675811095  1.985347032329  0.009054839636  0.034613656710  0.090324063155  -0.002579215771  0.003776924353  -0.003253340649
  27  Al  6.051946131052  6.100520685107  0.052227807687  0.023530431786  -0.099674513419  -0.116675173263  -0.001915862827  0.002024508979  0.004289912443
  28  Al  4.062163866055  4.074270799419  4.092748201047  -0.031561890529  -0.003548259601  -0.182507306188  0.000985405179  0.002049944190  0.003350403289
  29  Al  4.000799158980  6.091294734836  6.150589137989  0.253154930215  -0.043041186289  -0.160638054998  -0.003799017026  0.001321545864  0.006171607460
  30  Al  6.088864000163  3.997365004895  6.086012219300  -0.011721681672  0.071350123035  0.004984365739  0.001165065318  -0.004389799782  0.000972243079
  31  Al  6.123108104678  6.053613788343  4.044494319101  -0.103606192343  0.067773256514  -0.136497669481  0.003935852648  -0.001723056016  -0.000669718066


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)
  -81.134595751777  -0.127864813315  0.029320564881
  -0.127864813315  -81.335384360845  -0.639621745219
  0.029320564881  -0.639621745219  -78.718496260817
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.045691616809  8.083967377048  8.073708134113  0.160154079955  0.016964305571  -0.109025393922  -0.004202419771  -0.001287594772  -0.002319997619
  1  Al  8.075034974765  1.988036839014  1.974891581505  0.144447208322  0.090920568395  0.004012621518  -0.001817948753  -0.002886230185  -0.004089964924
  2  Al  1.993922358201  8.048462052531  1.997977683492  0.060801493262  0.033204621926  0.113719080213  -0.002437788258  -0.004191432047  -0.002031455972
  3  Al  1.991501943501  2.009067280813  8.089461963150  0.018906574093  -0.022953763292  -0.179573665301  -0.002694770688  -0.001336075039  -0.001152668684
  4  Al  0.009615510693  8.060444895810  4.128809448522  0.117571059391  0.022555592876  -0.230748596115  0.000966306058  -0.003203319091  0.006101053165
  5  Al  0.007065222064  2.023979998815  6.104952756676  -0.012535941416  -0.043464737116  -0.085355945165  0.000550130941  -0.000142817892  0.002323999435
  6  Al  2.010218406074  8.092990262652  6.063605971726  -0.061731909812  0.188027785419  0.052492884356  -0.001310941333  -0.000275500588  -0.000860642844
  7  Al  2.021021059787  2.035511601415  4.081348310411  -0.028432193949  -0.077429345792  0.041558952686  -0.000365702074  0.000737580674  0.002633406489
  8  Al  8.078263876918  4.097568231211  8.031767518789  -0.003262749297  -0.133543170236  0.129814892694  -0.001782820229  0.003682724042  -0.005384132406
  9  Al  0.015912884904  6.068461392577  2.020494524197  -0.005293962314  -0.005309819858  0.089038528384  0.001304856313  -0.000541661307  -0.000225142646
  10  Al  2.055363982255  3.994992579724  2.017777288625  -0.080767326578  0.335515830312  0.150686058471  0.002374814248  -0.003965314010  -0.000367243605
  11  Al  2.036466753789  6.091931435224  0.057948331888  -0.108327543270  0.008852785160  0.101442731943  0.000767246887  0.001408536096  0.004915344765
  12  Al  8.072670018809  4.068575919130  4.007027849651  0.188761729592  0.002222326223  0.166098962682  -0.001949175192  0.001541322064  -0.003250592653
  13  Al  0.004463897281  6.056864297009  6.028691304711  -0.018082479039  0.019741308705  0.094601907150  0.000350460058  -0.001450364223  -0.003643734320
  14  Al  2.015649292002  4.029356403805  6.094851683883  -0.098323084684  -0.133500154686  -0.114262807846  -0.000922359566  -0.001900143368  0.001454028599
  15  Al  2.073027455964  6.082118287150  3.998122513259  -0.216020293495  -0.079118439607  -0.014518989365  0.003598659785  0.000462457112  -0.004291813295
  16  Al  4.108241013757  0.062496353307  8.098549628119  -0.023041094963  -0.028586109765  0.159954439338  0.004720715087  0.005082754664  0.000128562396
  17  Al  3.981905933752  1.971199917542  2.016509867144  0.224898278333  0.095235759710  -0.016706017754  -0.005214248853  -0.004252834302  -0.000723782859
  18  Al  6.120072784074  8.047207908133  1.963176181267  -0.213383910346  -0.007712009361  0.101973925826  0.003350800732  -0.004346231284  -0.004913042773
  19  Al  6.093694891996  2.084497513456  8.024396334484  -0.166401498529  -0.207064966698  0.042779733179  0.001259587660  0.004563704287  -0.006149264703
  20  Al  4.067505433696  0.064775342310  4.055906293352  -0.094348509281  -0.211231448210  -0.043028163463  0.001292179242  0.004974209591  0.000415641026
  21  Al  4.063738520673  2.006727339919  6.088674899905  0.031541860759  0.085561978789  0.119878229599  0.001173792277  -0.001370143716  0.001307611504
  22  Al  6.075777497741  0.006222819120  6.082574569937  0.021730301915  0.203624552576  0.072064317050  0.000100784669  0.000831906447  0.000732035684
  23  Al  6.122235129651  2.034519344457  4.034062690847  -0.138561715683  -0.010597497701  0.215676824968  0.003643722506  0.000760692380  -0.000957004746
  24  Al  4.062337042089  4.043083133661  0.066385253628  0.083995495051  -0.070614261061  -0.211537083999  0.001141461710  -0.000672550737  0.005119931339
  25  Al  4.028088621588  6.134605600284  2.081436834742  0.064396708631  -0.105171736159  -0.129463922558  -0.001709382261  0.004702165575  0.004428945971
  26  Al  6.043381084229  4.095565820490  1.983724399458  0.014818708114  0.033082247463  0.096445269155  -0.002584317890  0.003793598845  -0.003245732039
  27  Al  6.050989251440  6.101528484182  0.054367548570  0.026367713855  -0.102671834825  -0.124897033049  -0.001916769149  0.002012053348  0.004280301412
  28  Al  4.062655157839  4.075295612908  4.094415244681  -0.034543334955  -0.003197249314  -0.187850679429  0.000982245824  0.002055095657  0.003326608450
  29  Al  3.998910966402  6.091953583843  6.153667761256  0.259718324103  -0.043469256120  -0.165501277636  -0.003763705347  0.001317501052  0.006159698724
  30  Al  6.089446008867  3.995173294329  6.086498563639  -0.010015054579  0.077671803070  0.001136034172  0.001166388094  -0.004388766395  0.000975521815
  31  Al  6.125071399842  6.052755289775  4.044153358672  -0.105036933188  0.072454333606  -0.140905817784  0.003928199526  -0.001715322877  -0.000696467931


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)
  -80.952837460157  -0.135302885193  0.034034393418
  -0.135302885193  -81.169821229494  -0.686837843052
  0.034034393418  -0.686837843052  -78.355161303504
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.043597565753  8.083324337961  8.072543261908  0.165955153021  0.017627867061  -0.112662208229  -0.004185689866  -0.001288326285  -0.002346782084
  1  Al  8.074132457127  1.986597788038  1.972846778406  0.148417765902  0.095639257274  0.004969010227  -0.001797101016  -0.002878094673  -0.004101335617
  2  Al  1.992706181876  8.046367820742  1.996967038709  0.064162189957  0.038568439128  0.118412015128  -0.002433840756  -0.004197474592  -0.002016689586
  3  Al  1.990155403274  2.008398217269  8.088877601930  0.020409115211  -0.023239779371  -0.184003985812  -0.002699267900  -0.001344194566  -0.001188700583
  4  Al  0.010103919105  8.058844244491  4.131849660725  0.120846548757  0.024289358880  -0.240754246670  0.000990560617  -0.003208655162  0.006076938808
  5  Al  0.007339727183  2.023906647011  6.106110941013  -0.013377827107  -0.044963601422  -0.089909152262  0.000549445140  -0.000151172033  0.002315202880
  6  Al  2.009560176013  8.092860917132  6.063177996717  -0.060274479864  0.192793130931  0.054960488864  -0.001325783827  -0.000242174297  -0.000853570169
  7  Al  2.020836937841  2.035876930688  4.082666871326  -0.027461075941  -0.079416450438  0.041835065841  -0.000371802482  0.000725712844  0.002648723835
  8  Al  8.077372320960  4.099403623901  8.029081255265  -0.004475451569  -0.138280390425  0.135181292567  -0.001788821625  0.003669314524  -0.005376400247
  9  Al  0.016565076422  6.068190324576  2.020385932864  -0.008043126613  -0.006267345875  0.091746384281  0.001307545061  -0.000544311932  -0.000209602751
  10  Al  2.056547779108  3.993024920155  2.017600402435  -0.083516814445  0.345701970371  0.157596339538  0.002367153583  -0.003916037268  -0.000340694635
  11  Al  2.036845535030  6.092636098989  0.060410538724  -0.109491701639  0.007165669820  0.100682276650  0.000750000164  0.001414165681  0.004948101622
  12  Al  8.071703868794  4.069346679500  4.005409977889  0.195115241033  0.000000464033  0.171972885359  -0.001920557494  0.001546109966  -0.003229956476
  13  Al  0.004638319029  6.056139997327  6.026873666223  -0.021192284140  0.019501487102  0.098746309398  0.000347981807  -0.001451163309  -0.003637245252
  14  Al  2.015183717212  4.028400364712  6.095573590676  -0.098572107057  -0.136211803957  -0.119800975543  -0.000942760169  -0.001929984030  0.001437369888
  15  Al  2.074817129827  6.082345979140  3.995975957618  -0.222186043938  -0.082882569689  -0.010100935276  0.003570081220  0.000449307981  -0.004306797798
  16  Al  4.110600341372  0.065036452850  8.098621059222  -0.022754688587  -0.032624783807  0.164747619667  0.004730662598  0.005092397783  0.000158059681
  17  Al  3.979308862197  1.969077757396  2.016147228961  0.233847530902  0.099881592439  -0.016067002089  -0.005188638299  -0.004247999926  -0.000728876205
  18  Al  6.121738646257  8.045034447767  1.960724218078  -0.222539445351  -0.004898280881  0.108129340082  0.003321688983  -0.004360300943  -0.004908830153
  19  Al  6.094317247739  2.086770109870  8.021323614371  -0.173018310644  -0.216094779126  0.049157327742  0.001232903295  0.004539347868  -0.006159327802
  20  Al  4.068147305973  0.067253005136  4.056112190522  -0.097704810386  -0.219677822306  -0.043550367156  0.001278805582  0.004950380403  0.000409115309
  21  Al  4.064326826721  2.006046092651  6.089334064171  0.033322653337  0.090348014721  0.122640735623  0.001183102821  -0.001358449659  0.001333249896
  22  Al  6.075828861412  0.006647874287  6.082943809028  0.019599389984  0.208821472343  0.074040399571  0.000104790554  0.000871365223  0.000747315533
  23  Al  6.124050797245  2.034899216942  4.033593829151  -0.145419951440  -0.010038140982  0.221862074287  0.003629106716  0.000761106697  -0.000920621685
  24  Al  4.062911527513  4.042743701860  0.068935763666  0.087659293014  -0.072672035521  -0.222287185546  0.001160251399  -0.000687400782  0.005096274597
  25  Al  4.027236808967  6.136951981933  2.083645520736  0.070076212733  -0.108996118042  -0.135740440439  -0.001702413607  0.004696960710  0.004418351506
  26  Al  6.042089587675  4.097464098677  1.982105844507  0.016192645897  0.031472853558  0.102629226975  -0.002589230889  0.003810680942  -0.003237544649
  27  Al  6.050032045493  6.102529921462  0.056502116424  0.024613976450  -0.107566938904  -0.134283847250  -0.001917904174  0.001999192185  0.004269804524
  28  Al  4.063144736676  4.076323017821  4.096070152048  -0.034977308324  -0.002564139751  -0.192355636734  0.000978936421  0.002060697184  0.003302420571
  29  Al  3.997040723044  6.092610391309  6.156740212770  0.268981877273  -0.045583526937  -0.170439182478  -0.003727503960  0.001313438364  0.006147914217
  30  Al  6.090028755245  3.992982383033  6.086986375327  -0.012952467320  0.084886341409  -0.003053121448  0.001167801099  -0.004387256131  0.000978254097
  31  Al  6.127030804492  6.051900867019  4.043798826267  -0.111241699106  0.075280588365  -0.144300504868  0.003920501261  -0.001707182766  -0.000724114498


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)
  -80.764861594526  -0.143589981161  0.038471872011
  -0.143589981161  -80.996325530496  -0.735342475134
  0.038471872011  -0.735342475134  -77.978894383574
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.041512138955  8.082680962778  8.071364834905  0.174020996288  0.018597547379  -0.116066487453  -0.004168381599  -0.001289134602  -0.002374684860
  1  Al  8.073240540839  1.985163015742  1.970796332710  0.154473694920  0.099363361231  0.006042823511  -0.001775596679  -0.002869670029  -0.004113263497
  2  Al  1.991492129525  8.044270807441  1.995963986890  0.064290556606  0.044744727927  0.123006696944  -0.002429985367  -0.004203221179  -0.002001389676
  3  Al  1.988806681604  2.007725081176  8.088275026727  0.018720450711  -0.024470528487  -0.188131293277  -0.002704258936  -0.001352706240  -0.001225817287
  4  Al  0.010604601211  8.057241002636  4.134877368501  0.125904176706  0.026577222141  -0.251020931681  0.001015808774  -0.003214197715  0.006051972774
  5  Al  0.007613851769  2.023829051137  6.107264523547  -0.011927956089  -0.047415667792  -0.094645914726  0.000548905943  -0.000159932733  0.002305942590
  6  Al  2.008894589852  8.092748447767  6.062753668347  -0.061676625664  0.197603759920  0.057594853352  -0.001340895498  -0.000207925816  -0.000846164075
  7  Al  2.020649809100  2.036236237223  4.083993103256  -0.029770539352  -0.082316093229  0.041967398715  -0.000378105895  0.000713493866  0.002664580348
  8  Al  8.076477710096  4.101232100079  8.026399097697  -0.003388545953  -0.143250930742  0.140818902157  -0.001795160015  0.003655621530  -0.005368579036
  9  Al  0.017218489428  6.067917888462  2.020285232519  -0.008896807066  -0.006286908526  0.094298361500  0.001310143437  -0.000547151889  -0.000193578164
  10  Al  2.057727622728  3.991082354275  2.017437099617  -0.089734353175  0.355227598305  0.164353882482  0.002359070633  -0.003865509250  -0.000312894754
  11  Al  2.037215640873  6.093343502132  0.062889089997  -0.113604366226  0.006294742073  0.099489177124  0.000732354539  0.001419826141  0.004981635123
  12  Al  8.070752311628  4.070119734503  4.003802686777  0.203616788965  -0.002807413685  0.177684305196  -0.001890846872  0.001550727059  -0.003208770326
  13  Al  0.004811362645  6.055415287382  6.025059457521  -0.022337595007  0.020355233913  0.102996883529  0.000345173834  -0.001452158755  -0.003630606733
  14  Al  2.014707930989  4.027429284079  6.096286920560  -0.101678699208  -0.139066471502  -0.125337736785  -0.000963687649  -0.001960748879  0.001419912042
  15  Al  2.076592238801  6.082566928310  3.993822107210  -0.231514989930  -0.085738774500  -0.005226570944  0.003540635414  0.000435600789  -0.004321734828
  16  Al  4.112964655544  0.067581193425  8.098707453222  -0.024488423858  -0.036788951608  0.169357203847  0.004741323028  0.005102209066  0.000188520213
  17  Al  3.976724995948  1.966958222104  2.015782072669  0.240467195652  0.103490408581  -0.015294690576  -0.005162440805  -0.004243138648  -0.000733984035
  18  Al  6.123389543315  8.042854078344  1.958274636344  -0.228253892504  -0.001290798605  0.114588422721  0.003291721735  -0.004374586917  -0.004904314938
  19  Al  6.094925965531  2.089030124445  8.018246147785  -0.176255459681  -0.226349669602  0.056242562671  0.001205462652  0.004513963859  -0.006169271665
  20  Al  4.068782341394  0.069718375818  4.056314801491  -0.102993469330  -0.227875538818  -0.043970356077  0.001264833859  0.004925832596  0.000402554717
  21  Al  4.064919867642  2.005370906345  6.090006171116  0.032725306932  0.094199223484  0.125236819439  0.001192751739  -0.001346177179  0.001359678264
  22  Al  6.075882132774  0.007092891143  6.083320776374  0.020493589663  0.213757376233  0.075855847377  0.000108716119  0.000912006433  0.000763111705
  23  Al  6.125858850383  2.035279321589  4.033143435463  -0.148895125545  -0.010509824854  0.227502580326  0.003614140647  0.000761660724  -0.000883221412
  24  Al  4.063495571551  4.042396753055  0.071473964807  0.089002217793  -0.074750580966  -0.233256246888  0.001179748269  -0.000702786440  0.005071469667
  25  Al  4.026388734545  6.139295590200  2.085848628941  0.073841309466  -0.111768444356  -0.142209829989  -0.001694868003  0.004691953466  0.004407338440
  26  Al  6.040795696036  4.099370845973  1.980491659672  0.020933278473  0.029224398949  0.109123926189  -0.002594055099  0.003828124456  -0.003228749740
  27  Al  6.049074193642  6.103524709351  0.058631016246  0.025812510012  -0.111439411120  -0.144117932525  -0.001919421518  0.001985847133  0.004258283180
  28  Al  4.063632641414  4.077353251797  4.097712764105  -0.037415945864  -0.002200712913  -0.196674348221  0.000975526884  0.002066759167  0.003277931632
  29  Al  3.995188994457  6.093265072923  6.159806551308  0.275780942872  -0.046697677071  -0.175117839387  -0.003690387396  0.001309298632  0.006136284652
  30  Al  6.090612076823  3.990792549356  6.087475365902  -0.012937269880  0.092342246930  -0.007623578546  0.001169156784  -0.004385177945  0.000980377201
  31  Al  6.128986082659  6.051050640651  4.043430318837  -0.114312950726  0.079246551312  -0.147466890007  0.003912619306  -0.001698700701  -0.000752560727


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)
  -80.566892260286  -0.151013310327  0.044774108883
  -0.151013310327  -80.816013236682  -0.784561579403
  0.044774108883  -0.784561579403  -77.593018696270
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.039435726832  8.082037226780  8.070172304345  0.178874081881  0.018820780886  -0.118235391449  -0.004150584876  -0.001290063709  -0.002403594943
  1  Al  8.072359647418  1.983732622234  1.968739971074  0.157232006840  0.104678760061  0.006273324984  -0.001753540296  -0.002860907656  -0.004125832274
  2  Al  1.990280010606  8.042171196925  1.994968790407  0.067942791767  0.050631687075  0.126702298098  -0.002426202368  -0.004208638786  -0.001985644770
  3  Al  1.987455388933  2.007047634233  8.087653708682  0.020683355834  -0.024197639996  -0.190689528442  -0.002709714171  -0.001361568328  -0.001263871092
  4  Al  0.011118133470  8.055635091770  4.137892134342  0.127659103910  0.028074061935  -0.262552241974  0.001041929301  -0.003219980466  0.006026025311
  5  Al  0.007887771565  2.023746965308  6.108413264203  -0.013777884402  -0.048303940182  -0.098524804924  0.000548424917  -0.000169050099  0.002296281376
  6  Al  2.008221385180  8.092653317676  6.062333160778  -0.058884076065  0.200912595767  0.061261358770  -0.001356166831  -0.000172871503  -0.000838315949
  7  Al  2.020459425420  2.036589304657  4.085327269357  -0.028137036060  -0.083310478749  0.040611334349  -0.000384556916  0.000701009576  0.002680845085
  8  Al  8.075579978622  4.103053507579  8.023721102733  -0.005512427205  -0.147473444968  0.147637709681  -0.001801925951  0.003641696759  -0.005360551966
  9  Al  0.017873163462  6.067644031495  2.020192658540  -0.013123244044  -0.007768586056  0.095955213112  0.001312523553  -0.000550231484  -0.000177156592
  10  Al  2.058903146952  3.989165478196  2.017287998800  -0.092192126830  0.364968713439  0.170448496215  0.002350594598  -0.003813760083  -0.000283904303
  11  Al  2.037576740068  6.094053696575  0.065384354689  -0.113635509826  0.003733933924  0.098321447052  0.000714406451  0.001425445527  0.005015938208
  12  Al  8.069815989790  4.070894972542  4.002206244038  0.208941682879  -0.005120923061  0.182157899152  -0.001860127472  0.001555170910  -0.003187160488
  13  Al  0.004982951080  6.054690117876  6.023248758078  -0.026642538596  0.019477708227  0.108184653118  0.000341927931  -0.001453413211  -0.003623733519
  14  Al  2.014221542164  4.026442693418  6.096991274029  -0.100500462869  -0.140371126878  -0.130172207239  -0.000985025939  -0.001992331452  0.001401713837
  15  Al  2.078352207871  6.082780896212  3.991661006170  -0.236594269945  -0.090318714403  -0.000606073360  0.003510417605  0.000421257098  -0.004336624498
  16  Al  4.115334222435  0.070130653506  8.098809283535  -0.023380836531  -0.042160261099  0.174683321125  0.004752790641  0.005112088590  0.000220006120
  17  Al  3.974154524343  1.964841278764  2.015414396985  0.250196654814  0.108782736808  -0.015009228452  -0.005135591205  -0.004238203727  -0.000739142132
  18  Al  6.125025201316  8.040666727188  1.955827600937  -0.237601994371  0.001706020317  0.120504225919  0.003260878595  -0.004389091868  -0.004899531099
  19  Al  6.095520818301  2.091276988626  8.015164025974  -0.182739840902  -0.235252338465  0.064996121864  0.001177269295  0.004487565309  -0.006178905149
  20  Al  4.069410154552  0.072171106161  4.056514113390  -0.104940442934  -0.237058181475  -0.045113546835  0.001250387538  0.004900504355  0.000395902396
  21  Al  4.065517706321  2.004702028427  6.090691608289  0.035145082083  0.099656400345  0.128218241493  0.001202804471  -0.001333264037  0.001386932190
  22  Al  6.075937406890  0.007558449238  6.083705722956  0.017210897142  0.217366390202  0.078262913425  0.000112459477  0.000953708443  0.000779472383
  23  Al  6.127659265148  2.035659682166  4.032711994041  -0.156300504695  -0.009375970178  0.231785870850  0.003598779964  0.000762408984  -0.000844960905
  24  Al  4.064089424053  4.042042018511  0.073999273170  0.093124751767  -0.075594763944  -0.243622911446  0.001200006186  -0.000718608120  0.005045554095
  25  Al  4.025544601223  6.141636570924  2.088045941432  0.081340599362  -0.115977905926  -0.149494168712  -0.001686582889  0.004687122623  0.004395824692
  26  Al  6.039499604196  4.101286214522  1.978882162602  0.022312344313  0.027413676207  0.115086889878  -0.002598799393  0.003845930312  -0.003219371975
  27  Al  6.048115636693  6.104512651616  0.060753715816  0.023096692513  -0.116936579064  -0.153575047332  -0.001921415161  0.001971964055  0.004245736745
  28  Al  4.064118732377  4.078386533009  4.099342938649  -0.036900804592  -0.000889596883  -0.201503947862  0.000972103824  0.002073352389  0.003253113091
  29  Al  3.993356128068  6.093917634870  6.162866865930  0.285787011665  -0.049475922789  -0.178997848459  -0.003652284484  0.001305024629  0.006124920235
  30  Al  6.091196076924  3.988604088049  6.087965213731  -0.016922601067  0.101515374754  -0.011827674336  0.001170365022  -0.004382367004  0.000981891506
  31  Al  6.130937282564  6.050204832593  4.043047446757  -0.121760455837  0.081847534168  -0.151166698265  0.003904450858  -0.001689898027  -0.000781848800


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)
  -80.363083814089  -0.159533127510  0.050077796962
  -0.159533127510  -80.628040599435  -0.834439016367
  0.050077796962  -0.834439016367  -77.194695586566
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.037368430001  8.081393036208  8.068965221794  0.187896782653  0.020439305549  -0.120897344397  -0.004132217675  -0.001291059812  -0.002433466277
  1  Al  8.071489905484  1.982306847509  1.966677335352  0.164090197619  0.107735833405  0.007235439327  -0.001730855179  -0.002851871258  -0.004139070367
  2  Al  1.989069946440  8.040069140750  1.993981631569  0.065976178524  0.058810253005  0.130746203767  -0.002422685522  -0.004213560500  -0.001969502820
  3  Al  1.986101456386  2.006365768443  8.087013249383  0.016906929997  -0.026031067715  -0.193635031037  -0.002715832151  -0.001370843118  -0.001302776249
  4  Al  0.011644804436  8.054026356438  4.140893411007  0.133263961180  0.031805305850  -0.273317451419  0.001068986504  -0.003225885957  0.005999056249
  5  Al  0.008161368157  2.023660281089  6.109557000868  -0.010962664754  -0.051528808496  -0.103109054123  0.000548126145  -0.000178598401  0.002286234640
  6  Al  2.007540669668  8.092575862645  6.061916741164  -0.061351886459  0.205762012457  0.064497781032  -0.001371703220  -0.000136993206  -0.000829969850
  7  Al  2.020265889247  2.036936085497  4.086669507212  -0.032287600718  -0.086806225545  0.039790887269  -0.000391324597  0.000688203163  0.002697447345
  8  Al  8.074678769243  4.104867763948  8.021047426103  -0.003058043016  -0.153167363578  0.153789811828  -0.001809005755  0.003627479953  -0.005352284568
  9  Al  0.018528838634  6.067368568500  2.020108369407  -0.013406138419  -0.007020013870  0.097608975853  0.001314740420  -0.000553485293  -0.000160411947
  10  Al  2.060074323296  3.987274912124  2.017153665635  -0.100436140018  0.372639777024  0.176756817058  0.002341545997  -0.003760944485  -0.000253750010
  11  Al  2.037928863827  6.094766586245  0.067896718726  -0.119048203035  0.003214395338  0.096090223187  0.000696033922  0.001431061249  0.005050946778
  12  Al  8.068895265672  4.071672329094  4.000620806187  0.218316081985  -0.009446102628  0.187077824441  -0.001828311926  0.001559310779  -0.003165197936
  13  Al  0.005152724133  6.053964281917  6.021441727134  -0.026984733476  0.021056524266  0.113264295932  0.000338314443  -0.001454867110  -0.003616558290
  14  Al  2.013724536860  4.025440253153  6.097686312297  -0.104907780616  -0.143258739528  -0.135159897796  -0.001006903481  -0.002024754352  0.001382819516
  15  Al  2.080096840995  6.082987487547  3.989492666830  -0.247298101611  -0.092637486860  0.005109321981  0.003479301081  0.000406319039  -0.004351408760
  16  Al  4.117709572640  0.072684813252  8.098927094876  -0.025851081947  -0.046483673527  0.178933670839  0.004765019735  0.005122040316  0.000252500476
  17  Al  3.971597912441  1.962727039449  2.015044155011  0.255487126665  0.111764284961  -0.014316460546  -0.005108211606  -0.004233261485  -0.000744361724
  18  Al  6.126645019890  8.038472257512  1.953383221882  -0.240902737664  0.007180045621  0.126742401979  0.003229371444  -0.004403666695  -0.004894509754
  19  Al  6.096101284543  2.093510255585  8.012077478703  -0.183868666463  -0.246626954150  0.073781817332  0.001148503148  0.004460051670  -0.006188095570
  20  Al  4.070030657521  0.074610761923  4.056710048028  -0.111090187425  -0.244255586000  -0.045202291122  0.001235386176  0.004874487697  0.000389186524
  21  Al  4.066120679530  2.004039851014  6.091390805693  0.033412687889  0.102776897491  0.130694307730  0.001213167562  -0.001319772784  0.001415017337
  22  Al  6.075994405949  0.008045019658  6.084098957472  0.019368477084  0.222070572367  0.080388040607  0.000116134969  0.000996471576  0.000796435303
  23  Al  6.129451668554  2.036040467555  4.032299874333  -0.157718456795  -0.010613362345  0.236152961976  0.003583212663  0.000763285896  -0.000805940322
  24  Al  4.064693589789  4.041679335393  0.076511160361  0.093096126428  -0.077977125744  -0.254761700303  0.001220915315  -0.000734902218  0.005018513983
  25  Al  4.024704945674  6.143974948065  2.090237171443  0.084397496517  -0.117996383175  -0.156848338380  -0.001677621087  0.004682548048  0.004383737572
  26  Al  6.038201201854  4.103210405059  1.977277620957  0.029375242112  0.023486526321  0.121615667859  -0.002603264210  0.003863966381  -0.003209412104
  27  Al  6.047155961526  6.105493406620  0.062869719439  0.025722903661  -0.119781169271  -0.164149829008  -0.001923764855  0.001957633996  0.004232102829
  28  Al  4.064603134836  4.079423169439  4.100960488040  -0.040395470467  -0.001255120688  -0.205536350883  0.000968574012  0.002080421531  0.003227989988
  29  Al  3.991542760403  6.094567935629  6.165921324908  0.291068165158  -0.049641101161  -0.182723775815  -0.003613324910  0.001300703222  0.006113920774
  30  Al  6.091780503001  3.986417442248  6.088455630791  -0.015611406523  0.109178908300  -0.016751235795  0.001171545315  -0.004378813581  0.000982766525
  31  Al  6.132884065345  6.049363542134  4.042649765260  -0.123199058067  0.086605642329  -0.153867689373  0.003896149604  -0.001680704260  -0.000811952449


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)
  -80.147693596568  -0.166237397120  0.057571253927
  -0.166237397120  -80.433773649564  -0.884725233945
  0.057571253927  -0.884725233945  -76.787445420151
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.035310720082  8.080748419932  8.067743084588  0.191864468549  0.021155697113  -0.122885454982  -0.004113363130  -0.001292083130  -0.002464304157
  1  Al  8.070631812668  1.980885727633  1.964608123590  0.165789130388  0.112706771960  0.007893722334  -0.001707631126  -0.002842596033  -0.004152958984
  2  Al  1.987861552791  8.037964989297  1.993002724468  0.069971624396  0.066413016254  0.135056940138  -0.002419411004  -0.004217844911  -0.001952907282
  3  Al  1.984744296044  2.005679183304  8.086353205842  0.019267725363  -0.026139257717  -0.195359661792  -0.002722589932  -0.001380573744  -0.001342478926
  4  Al  0.012185254539  8.052414835145  4.143880721940  0.134384712189  0.034362667869  -0.284890108511  0.001096939817  -0.003231831247  0.005971066411
  5  Al  0.008434941202  2.023568678570  6.110695509250  -0.013606205931  -0.052744286585  -0.107475762073  0.000547940620  -0.000188612539  0.002275760436
  6  Al  2.006852075650  8.092516563530  6.061504639267  -0.057359726948  0.208681322466  0.067630010313  -0.001387407670  -0.000100310404  -0.000821171379
  7  Al  2.020068783705  2.037276306871  4.088020009522  -0.029924762811  -0.088465768498  0.037809017485  -0.000398348255  0.000675011230  0.002714346236
  8  Al  8.073774129672  4.106674657399  8.018378158168  -0.006195283070  -0.157930878897  0.160483879479  -0.001816499458  0.003612927257  -0.005343800206
  9  Al  0.019185609594  6.067091512062  2.020032526520  -0.018494350307  -0.008072124992  0.099196158037  0.001316720839  -0.000556878234  -0.000143343774
  10  Al  2.061240606835  3.985411096745  2.017034691596  -0.102438879448  0.380752308267  0.183245427835  0.002331967321  -0.003707197003  -0.000222382200
  11  Al  2.038271559376  6.095482260551  0.070426487314  -0.118267292642  0.000890782501  0.093485264550  0.000677303758  0.001436700869  0.005086562120
  12  Al  8.067990868359  4.072451562246  3.999046569530  0.222607353224  -0.012820770925  0.191505198701  -0.001795483021  0.001563056475  -0.003142887125
  13  Al  0.005320675147  6.053237789581  6.019638510862  -0.032240617635  0.020460540987  0.118540657658  0.000334246407  -0.001456500800  -0.003609080239
  14  Al  2.013216395779  4.024421472362  6.098371680456  -0.102773121284  -0.144286179742  -0.140375012994  -0.001029247290  -0.002058013468  0.001363189731
  15  Al  2.081825437399  6.083186506204  3.987317190835  -0.251503463284  -0.096576440977  0.011061239456  0.003447360221  0.000390837806  -0.004365986074
  16  Al  4.120090926973  0.075243755607  8.099061343385  -0.023879107793  -0.051865995140  0.183608951863  0.004778109315  0.005132082413  0.000285960988
  17  Al  3.969055226820  1.960615404530  2.014671334209  0.265870113334  0.116617910247  -0.013424134734  -0.005080246896  -0.004228362160  -0.000749592681
  18  Al  6.128248937346  8.036270745110  1.950941632345  -0.250495386804  0.012094127611  0.133058068399  0.003197174276  -0.004418158017  -0.004889226999
  19  Al  6.096667317254  2.095729257284  8.008986728939  -0.190560839893  -0.256038885171  0.083763696355  0.001119136595  0.004431376637  -0.006196752889
  20  Al  4.070643384918  0.077037087635  4.056902620764  -0.112630321304  -0.252692226686  -0.045755085288  0.001219862558  0.004847852297  0.000382458604
  21  Al  4.066728756846  2.003384558712  6.092104156350  0.036544813654  0.107859937986  0.132838325001  0.001223913414  -0.001305733981  0.001443875917
  22  Al  6.076053339198  0.008553181921  6.084500768439  0.015091704633  0.225289717781  0.082430377760  0.000119654812  0.001040283051  0.000813978412
  23  Al  6.131236224927  2.036421636090  4.031907460125  -0.165591944224  -0.009749359882  0.239750771451  0.003567401130  0.000764270317  -0.000766206811
  24  Al  4.065308208810  4.041308398734  0.079009029596  0.098049287256  -0.079228862603  -0.265684817838  0.001242563724  -0.000751715077  0.004990300593
  25  Al  4.023869907669  6.146310947693  2.092422029164  0.092884549555  -0.121614979129  -0.163956831061  -0.001667893285  0.004678296078  0.004371099538
  26  Al  6.036900882811  4.105143438089  1.975678351082  0.030734867090  0.020000890070  0.128061179402  -0.002607459657  0.003882101242  -0.003198830723
  27  Al  6.046195228903  6.106466869442  0.064978433416  0.022305528403  -0.125000798861  -0.175119261606  -0.001926541459  0.001942880940  0.004217249512
  28  Al  4.065085616179  4.080463324101  4.102565295633  -0.039042833795  -0.000498137531  -0.209676589550  0.000965013838  0.002087927380  0.003202623719
  29  Al  3.989749108590  6.095216068300  6.168970117608  0.301562112790  -0.051864134971  -0.186681532074  -0.003573458605  0.001296386400  0.006103294994
  30  Al  6.092365577834  3.984232915716  6.088946265279  -0.020425921942  0.118866500512  -0.021762975954  0.001172627086  -0.004374480611  0.000982930689
  31  Al  6.134826633193  6.048527061245  4.042236911205  -0.131497931710  0.089436896685  -0.156371657761  0.003887647348  -0.001671099033  -0.000842780587


MDSTEP:  31
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -79.926092720009  -0.173913277194  0.064825141284
  -0.173913277194  -80.230815419205  -0.936223408840
  0.064825141284  -0.936223408840  -76.368828183302
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.033262614789  8.080103324019  8.066505439574  0.199350555418  0.022327611359  -0.124966970506  -0.004094164154  -0.001293178544  -0.002496079716
  1  Al  8.069785407819  1.979469467569  1.962531996945  0.171052258563  0.116422450686  0.008759153722  -0.001684006451  -0.002833028084  -0.004167528276
  2  Al  1.986654974995  8.035859035480  1.992032307823  0.069262202587  0.075454066837  0.138679692559  -0.002416273828  -0.004221427825  -0.001935894687
  3  Al  1.983383862338  2.004987728017  8.085673233873  0.017038292491  -0.027405842456  -0.197154682653  -0.002729862729  -0.001390719266  -0.001382897917
  4  Al  0.012739731396  8.050800455520  4.146853520660  0.138320832801  0.038150880428  -0.296051484571  0.001125656804  -0.003237824361  0.005942026077
  5  Al  0.008708303320  2.023472014650  6.111828585341  -0.012190174669  -0.055388729509  -0.112062358926  0.000547744977  -0.000199046506  0.002264860699
  6  Al  2.006155807856  8.092475736308  6.061097076615  -0.057482871457  0.212061643103  0.071326454338  -0.001403080775  -0.000062938798  -0.000811877042
  7  Al  2.019868271951  2.037609858098  4.089378872690  -0.032394451219  -0.091094602678  0.036139469702  -0.000405481925  0.000661507540  0.002731481945
  8  Al  8.072865603016  4.108474061574  8.015713431637  -0.005157279391  -0.163084221856  0.167093745873  -0.001824544585  0.003598092673  -0.005335071752
  9  Al  0.019843143323  6.066812712123  2.019965288666  -0.020565356959  -0.007925587519  0.100078749092  0.001318308549  -0.000560467977  -0.000126014290
  10  Al  2.062402011514  3.983574517735  2.016931691500  -0.109311922268  0.387669431499  0.189204423561  0.002321983868  -0.003652574514  -0.000189816841
  11  Al  2.038604924749  6.096200650803  0.072973947131  -0.121542388048  -0.000587852058  0.089783160429  0.000658401856  0.001442285270  0.005122684578
  12  Al  8.067103077318  4.073232517400  3.997483686181  0.230459470730  -0.017492655004  0.195922691266  -0.001761767500  0.001566381957  -0.003120274187
  13  Al  0.005486357206  6.052510453760  6.017839269468  -0.034050778482  0.021429681721  0.124324612012  0.000329589958  -0.001458375160  -0.003601244337
  14  Al  2.012697178213  4.023386016088  6.099047000609  -0.104781620353  -0.145706364723  -0.145173687607  -0.001051855476  -0.002091999348  0.001342836011
  15  Al  2.083537875395  6.083377608175  3.985134692232  -0.260285177278  -0.099617539537  0.018148160806  0.003414764231  0.000374742137  -0.004380252477
  16  Al  4.122478914243  0.077807478422  8.099212531133  -0.025097523847  -0.057462845816  0.187360117523  0.004792195815  0.005142121781  0.000320359745
  17  Al  3.966526987671  1.958506436229  2.014295937814  0.272274175304  0.120268603222  -0.012641780604  -0.005051601685  -0.004223458229  -0.000754831422
  18  Al  6.129836327430  8.034062206705  1.948502966494  -0.254983740383  0.018115997687  0.139301733593  0.003164176804  -0.004432536413  -0.004883695765
  19  Al  6.097218367551  2.097933500757  8.005892096702  -0.192732541611  -0.267160094057  0.094078680218  0.001089066763  0.004401562839  -0.006204761690
  20  Al  4.071248281662  0.079449718532  4.057091804831  -0.117326450509  -0.260158816773  -0.045518826339  0.001203943545  0.004820578119  0.000375746585
  21  Al  4.067342347092  2.002736513022  6.092832032134  0.035907822154  0.111719412248  0.134969502359  0.001235149826  -0.001291078444  0.001473495320
  22  Al  6.076113841197  0.009083393816  6.084911442254  0.015210246634  0.228482764201  0.084800126475  0.000122837092  0.001085030754  0.000832135027
  23  Al  6.133012523592  2.036803335456  4.031535073493  -0.168465339394  -0.010264715117  0.243116646128  0.003551219978  0.000765430380  -0.000725835553
  24  Al  4.065933873440  4.040928999694  0.081492303877  0.099026962747  -0.080543000901  -0.277296006289  0.001265056632  -0.000768961479  0.004960873411
  25  Al  4.023040112932  6.148644659587  2.094600250122  0.098156090718  -0.124110302200  -0.172046777802  -0.001657199803  0.004674339273  0.004357852449
  26  Al  6.035598526820  4.107085382742  1.974084660009  0.036826657537  0.015619715691  0.134656430491  -0.002611482097  0.003900314134  -0.003187626311
  27  Al  6.045232955223  6.107432722422  0.067079230404  0.022983025653  -0.128440486637  -0.186840890029  -0.001929928971  0.001927650970  0.004201077853
  28  Al  4.065566377897  4.081507265524  4.104157235025  -0.041208930677  -0.000546250516  -0.213038876941  0.000961544347  0.002095909835  0.003177074958
  29  Al  3.987975859006  6.095861943192  6.172013420508  0.307836829239  -0.052693310236  -0.189528212817  -0.003532590324  0.001292017357  0.006093139801
  30  Al  6.092950978346  3.982050988700  6.089436757826  -0.021197684974  0.128273654378  -0.027075772718  0.001173427339  -0.004369221658  0.000982349665
  31  Al  6.136764578957  6.047695509526  4.041808531155  -0.134931191056  0.093687304534  -0.158347222346  0.003878774215  -0.001661128413  -0.000874284966


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)
  -79.693848265672  -0.180270662500  0.073304998729
  -0.180270662500  -80.021401804304  -0.986857764432
  0.073304998729  -0.986857764432  -75.941164481892
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.031224443610  8.079457732783  8.065251813738  0.205725564676  0.023210394404  -0.126572068570  -0.004074410414  -0.001294336329  -0.002528782884
  1  Al  8.068951050568  1.978058157568  1.960448624338  0.174794407829  0.120984355882  0.010140278086  -0.001659793229  -0.002823209266  -0.004182736066
  2  Al  1.985449934077  8.033751694337  1.991070559412  0.070535907965  0.084599449230  0.143381144115  -0.002413526123  -0.004224183983  -0.001918428705
  3  Al  1.982019692579  2.004291143353  8.084972972171  0.016613078363  -0.028155624918  -0.197829867027  -0.002737914929  -0.001401347574  -0.001423961762
  4  Al  0.013308742690  8.049183248670  4.149811300304  0.141300440703  0.041543807948  -0.307999569241  0.001155322006  -0.003243804008  0.005911907226
  5  Al  0.008981630912  2.023370015540  6.112956006543  -0.012357164360  -0.057176772969  -0.117115366107  0.000547763313  -0.000209957967  0.002253475951
  6  Al  2.005451698005  8.092453745989  6.060694326360  -0.055269603831  0.214159877345  0.074218802241  -0.001418892798  -0.000024935635  -0.000802105742
  7  Al  2.019664082968  2.037936539972  4.090746229083  -0.032614239712  -0.093239404838  0.033339406939  -0.000412961935  0.000647644562  0.002748797880
  8  Al  8.071953100195  4.110265818105  8.013053364791  -0.005820360417  -0.167935180045  0.174170157978  -0.001832930638  0.003582974250  -0.005326079260
  9  Al  0.020501378334  6.066532123864  2.019906755004  -0.023782554823  -0.008566920537  0.101647310458  0.001319675091  -0.000564221734  -0.000108418113
  10  Al  2.063558117244  3.981765559162  2.016845240449  -0.114404764626  0.394403845341  0.196009977407  0.002311321014  -0.003597189626  -0.000156009196
  11  Al  2.038928692777  6.096921767162  0.075539302695  -0.122816924822  -0.002671990453  0.085650771537  0.000639138296  0.001447842827  0.005159210385
  12  Al  8.066232495023  4.074014926463  3.995932306762  0.236953268754  -0.021811680498  0.199834373837  -0.001726957688  0.001569207451  -0.003097406670
  13  Al  0.005649630128  6.051782224079  6.016044204564  -0.037108665983  0.021396088730  0.129640376981  0.000324539427  -0.001460446468  -0.003593055248
  14  Al  2.012166566774  4.022333503392  6.099711929403  -0.104638069645  -0.145883166280  -0.150844798746  -0.001074919899  -0.002126658501  0.001321711612
  15  Al  2.085233622857  6.083560526375  3.982945377209  -0.266701507378  -0.103034284969  0.025552462903  0.003381311798  0.000358071745  -0.004394096913
  16  Al  4.124873890300  0.080375970743  8.099381085936  -0.025416256153  -0.063629394151  0.191466278920  0.004807099604  0.005152109676  0.000355663359
  17  Al  3.964013357386  1.956400083078  2.013917957020  0.280035420149  0.124531361136  -0.010878125106  -0.005022515526  -0.004218615620  -0.000760004345
  18  Al  6.131407018151  8.031846748277  1.946067345348  -0.261418731036  0.024504954386  0.146489093899  0.003130658004  -0.004446689835  -0.004877851780
  19  Al  6.097754285857  2.100122340216  8.002793921140  -0.196261325710  -0.277376597723  0.105699388582  0.001058567384  0.004370537716  -0.006211996853
  20  Al  4.071845008985  0.081848378586  4.057277643448  -0.121122362348  -0.268329609331  -0.045587076461  0.001187423337  0.004792693120  0.000369092841
  21  Al  4.067961527072  2.002095967618  6.093574812882  0.036429824689  0.116202021318  0.135965466651  0.001246652979  -0.001275856628  0.001503791718
  22  Al  6.076175939636  0.009636122290  6.085331300303  0.013065104387  0.230741655759  0.086219878002  0.000125873391  0.001130652689  0.000850861396
  23  Al  6.134780603240  2.037185591817  4.031183022943  -0.173456654906  -0.009958590148  0.245548069596  0.003534932793  0.000766719820  -0.000684916199
  24  Al  4.066570828225  4.040540918711  0.083960345551  0.101351021355  -0.081313953990  -0.288632387846  0.001288174237  -0.000786609112  0.004930196792
  25  Al  4.022215900572  6.150976281537  2.096771485918  0.104725347548  -0.126940531160  -0.179118862374  -0.001645710678  0.004670764429  0.004344007383
  26  Al  6.034294431910  4.109036238005  1.972496865948  0.041463795696  0.010789309920  0.141868655745  -0.002615047235  0.003918505029  -0.003175734475
  27  Al  6.044269018071  6.108390806663  0.069171417610  0.021777022862  -0.133093852023  -0.199001677229  -0.001933739360  0.001911994048  0.004183484214
  28  Al  4.066045308047  4.082555196025  4.105736249742  -0.042215855130  -0.000017361781  -0.216554775438  0.000957956176  0.002104360629  0.003151400599
  29  Al  3.986223324039  6.096505596498  6.175051518565  0.315296427483  -0.054190899763  -0.193503794248  -0.003490985516  0.001287663880  0.006083472984
  30  Al  6.093536744487  3.979872111657  6.089926722382  -0.023808063379  0.138995253595  -0.033209795399  0.001174147169  -0.004362953437  0.000980922904
  31  Al  6.138697934689  6.046869133108  4.041364310608  -0.140853528199  0.097263440580  -0.159993730084  0.003869752256  -0.001650726145  -0.000906406110


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)
  -79.454053958049  -0.187080072494  0.082294008714
  -0.187080072494  -79.802694126281  -1.038814555394
  0.082294008714  -1.038814555394  -75.502978115911
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.029196434262  8.078811602115  8.063981764570  0.214589372062  0.024262394427  -0.128888887819  -0.004053984327  -0.001295573022  -0.002562461012
  1  Al  8.068128967201  1.976651960892  1.958357709572  0.180870145697  0.124788995744  0.011815848223  -0.001634913327  -0.002813137859  -0.004198534468
  2  Al  1.984246323945  8.031643383911  1.990117754144  0.068514787937  0.094869960277  0.147673563460  -0.002411295712  -0.004226017072  -0.001900448182
  3  Al  1.980651477714  2.003589211019  8.084252148366  0.013360000076  -0.029323705293  -0.199327261581  -0.002746855514  -0.001412461389  -0.001465667608
  4  Al  0.013892719771  8.047563203659  4.152753486447  0.146264720991  0.045985941252  -0.319239516492  0.001186047519  -0.003249726387  0.005880709956
  5  Al  0.009254960208  2.023262480775  6.114077509504  -0.009558971678  -0.059450027118  -0.122368055776  0.000548122777  -0.000221320583  0.002241548838
  6  Al  2.004739781075  8.092450851040  6.060296591043  -0.055507717625  0.216493844499  0.077597496691  -0.001434866194  0.000013622124  -0.000791883417
  7  Al  2.019456144156  2.038256194485  4.092122118282  -0.036058957459  -0.095871550470  0.031561862903  -0.000420881746  0.000633417756  0.002766302430
  8  Al  8.071036374708  4.112049798588  8.010398110505  -0.003621465688  -0.172974425880  0.180374179100  -0.001841565193  0.003567589323  -0.005316875487
  9  Al  0.021160152808  6.066249630059  2.019857089546  -0.024729145227  -0.008607075917  0.102603659471  0.001320926158  -0.000568160594  -0.000090541244
  10  Al  2.064708663900  3.979984594059  2.016775997427  -0.122696512248  0.400345457759  0.202336924163  0.002299853513  -0.003541119781  -0.000120908756
  11  Al  2.039242772052  6.097645569138  0.078122736446  -0.126816192557  -0.004478478094  0.079831651116  0.000619441729  0.001453351765  0.005195985223
  12  Al  8.065379607905  4.074798555214  3.994392535951  0.245980592646  -0.027092280871  0.204636228671  -0.001690937002  0.001571483394  -0.003074252449
  13  Al  0.005810241097  6.051052957243  6.014253471818  -0.037810172679  0.022018920893  0.135597949283  0.000319192030  -0.001462753153  -0.003584506846
  14  Al  2.011624429541  4.021263653216  6.100366042500  -0.107139128286  -0.146369614056  -0.156249302443  -0.001098499664  -0.002161931413  0.001299756041
  15  Al  2.086912357295  6.083734956652  3.980749470939  -0.276229703911  -0.106095784450  0.034645380064  0.003346932831  0.000340817444  -0.004407359938
  16  Al  4.127276304005  0.082949181370  8.099567476089  -0.028129781074  -0.069879752978  0.193970208759  0.004822714390  0.005162011160  0.000391778463
  17  Al  3.961514617105  1.954296341775  2.013537468600  0.285043691946  0.128410180423  -0.009290702781  -0.004993120500  -0.004213828793  -0.000765043825
  18  Al  6.132960661830  8.029624498722  1.943634967468  -0.264123496248  0.032033938608  0.153671273491  0.003096775346  -0.004460504789  -0.004871626337
  19  Al  6.098274796739  2.102295210440  7.999692647438  -0.196789973907  -0.288406899757  0.117077745174  0.001027776735  0.004338309641  -0.006218386681
  20  Al  4.072433306527  0.084232730909  4.057460152142  -0.127246368129  -0.275757446942  -0.044047902104  0.001170169576  0.004764206382  0.000362613520
  21  Al  4.068586481961  2.001463233492  6.094332786349  0.034035415090  0.120218784339  0.136944422467  0.001258275464  -0.001260051234  0.001534681905
  22  Al  6.076239460337  0.010211762704  6.085760584998  0.013694684541  0.232653320840  0.087813293388  0.000128810610  0.001177059237  0.000870100665
  23  Al  6.136540316187  2.037568506581  4.030851540753  -0.174995021202  -0.010282009325  0.248355347046  0.003518666650  0.000768159909  -0.000643483749
  24  Al  4.067219445698  4.040143979451  0.086412542183  0.100878469454  -0.082222072129  -0.301294636728  0.001311802790  -0.000804632993  0.004898178744
  25  Al  4.021397726419  6.153305989555  2.098935483060  0.108833254145  -0.129382946286  -0.186972688807  -0.001633529090  0.004667594847  0.004329594756
  26  Al  6.032988761709  4.110995972798  1.970915340188  0.049229960590  0.004988463664  0.149058126856  -0.002618014392  0.003936568608  -0.003163106875
  27  Al  6.043303121816  6.109340854440  0.071254264413  0.023354927025  -0.136977426576  -0.212879283547  -0.001937902600  0.001895870061  0.004164278703
  28  Al  4.066522399101  4.083607375563  4.107302270121  -0.045651379919  -0.000167000965  -0.218592994728  0.000954137241  0.002113284076  0.003125721593
  29  Al  3.984491924918  6.097147006125  6.178084605507  0.319875349658  -0.055073553270  -0.196809731869  -0.003448791205  0.001283324627  0.006074275538
  30  Al  6.094122753859  3.977696847976  6.090415699368  -0.023859754185  0.149821352035  -0.039539232888  0.001174855750  -0.004355558973  0.000978558838
  31  Al  6.140626514715  6.046048117677  4.040903955891  -0.143561629836  0.101520495616  -0.160064962765  0.003860657673  -0.001639892320  -0.000938991388


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)
  -79.202398679163  -0.192793299985  0.093149770460
  -0.192793299985  -79.578378506366  -1.089875652850
  0.093149770460  -1.089875652850  -75.057731968145
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.027179034166  8.078164900124  8.062694772777  0.218896523191  0.024867524489  -0.129016079289  -0.004033077440  -0.001296919735  -0.002597009344
  1  Al  8.067319595368  1.975250969986  1.956258970502  0.182652366336  0.129383458454  0.012493945736  -0.001609536905  -0.002802817543  -0.004215012697
  2  Al  1.983043738676  8.029534616028  1.989174131008  0.070804695245  0.105239113040  0.151578464483  -0.002409502743  -0.004226831269  -0.001882023253
  3  Al  1.979278647144  2.002881669566  8.083510404705  0.014097367410  -0.029922250826  -0.197788876392  -0.002756598844  -0.001424059423  -0.001507841732
  4  Al  0.014492281511  8.045940396021  4.155679571533  0.147083159268  0.049662961527  -0.332199210963  0.001217660779  -0.003255581450  0.005848350860
  5  Al  0.009528594314  2.023149163089  6.115192814115  -0.011579320979  -0.061131681216  -0.126982752042  0.000548660863  -0.000233132114  0.002229120956
  6  Al  2.004019866803  8.092467339299  6.059904117915  -0.051005110890  0.216998125404  0.081251869377  -0.001450808217  0.000052608789  -0.000781138952
  7  Al  2.019244091460  2.038568617939  4.093506680301  -0.034650395839  -0.097646532589  0.026912012143  -0.000429101895  0.000618855827  0.002783848532
  8  Al  8.070115430233  4.113825861354  8.007747735422  -0.005986243193  -0.177746771876  0.188549241226  -0.001850613111  0.003551952554  -0.005307379247
  9  Al  0.021819510503  6.065965165028  2.019816405271  -0.030161419419  -0.009123071116  0.103035667549  0.001321868272  -0.000572277997  -0.000072477952
  10  Al  2.065853106166  3.978231929467  2.016724587437  -0.126372721486  0.405852077449  0.208558948756  0.002287710060  -0.003484465122  -0.000084549092
  11  Al  2.039546824278  6.098372044835  0.080724297504  -0.126054135071  -0.006876877884  0.074744336319  0.000599488049  0.001458791784  0.005232960147
  12  Al  8.064545134648  4.075583085896  3.992864556893  0.250459114924  -0.031766429066  0.207390478179  -0.001653874071  0.001573182830  -0.003050917924
  13  Al  0.005968147011  6.050322564904  6.012467279575  -0.042705775782  0.021876720207  0.141828022592  0.000313380678  -0.001465312950  -0.003575526934
  14  Al  2.011070390628  4.020176144841  6.101008936233  -0.104800006601  -0.145008313353  -0.161349405609  -0.001122413570  -0.002197705275  0.001277013754
  15  Al  2.088573476342  6.083900622931  3.978547339606  -0.280704579148  -0.109877669903  0.042761321243  0.003311798073  0.000322938582  -0.004419998406
  16  Al  4.129686403809  0.085527063351  8.099772035719  -0.026576375365  -0.077382504185  0.198064616728  0.004839237411  0.005171731023  0.000428723202
  17  Al  3.959030798206  1.952195167267  2.013154531396  0.294193174985  0.132804472546  -0.007629114905  -0.004963299831  -0.004209101741  -0.000769963547
  18  Al  6.134497243278  8.027395678233  1.941206023350  -0.271489108751  0.039325578199  0.160381001582  0.003062443331  -0.004473922486  -0.004865078348
  19  Al  6.098779888665  2.104451473576  7.996588687431  -0.201084618104  -0.298966599531  0.131137439087  0.000996617081  0.004304847902  -0.006223736567
  20  Al  4.073012703448  0.086602507841  4.057639489977  -0.129042580745  -0.283958161743  -0.044311463190  0.001152356727  0.004735121206  0.000356290850
  21  Al  4.069217141064  2.000838581611  6.095106248667  0.036224647986  0.124760122559  0.137907934837  0.001270177220  -0.001243653485  0.001566183900
  22  Al  6.076304477789  0.010810691842  6.086199560553  0.009400993057  0.233275237967  0.089795062598  0.000131457047  0.001224129711  0.000889916622
  23  Al  6.138291827297  2.037952126933  4.030540900273  -0.181343288186  -0.009870906615  0.248908175022  0.003502308037  0.000769764474  -0.000601691243
  24  Al  4.067879856324  4.039737987657  0.088848163793  0.104590223682  -0.081994854065  -0.312416964738  0.001336083738  -0.000822955460  0.004864840374
  25  Al  4.020585826681  6.155634003608  2.101091922827  0.118082796389  -0.132280846611  -0.195038092692  -0.001620413317  0.004664844312  0.004314535162
  26  Al  6.031681955075  4.112964480085  1.969340449595  0.052958272610  -0.000469570205  0.156158863527  -0.002620474484  0.003954471200  -0.003149758433
  27  Al  6.042335214472  6.110282666628  0.073326888137  0.020173970084  -0.141496649132  -0.225683634848  -0.001942607220  0.001879290573  0.004143406140
  28  Al  4.066997427121  4.084664010136  4.108855359890  -0.044961550899  0.000701111040  -0.222313084946  0.000950241345  0.002122724920  0.003100022562
  29  Al  3.982781827628  6.097786206670  6.181112945952  0.328900966818  -0.056535528664  -0.199506433878  -0.003405862070  0.001279006482  0.006065685927
  30  Al  6.094709115212  3.975525765450  6.090903211397  -0.028487549139  0.162347665658  -0.045744080898  0.001175377003  -0.004346886337  0.000975250070
  31  Al  6.142550426399  6.045232709446  4.040427305351  -0.151513492388  0.104961050038  -0.161478206592  0.003851320331  -0.001628639779  -0.000972038403


MDSTEP:  35
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -78.943768865023  -0.198984567585  0.103877338048
  -0.198984567585  -79.344488019873  -1.141096803758
  0.103877338048  -1.141096803758  -74.602461534512
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.025172280042  8.077517551826  8.061390501133  0.227630740097  0.026198862249  -0.129973247280  -0.004011707807  -0.001298357865  -0.002632334354
  1  Al  8.066522991411  1.973855344608  1.954152022628  0.188601197902  0.133149010120  0.013626201189  -0.001583669774  -0.002792258346  -0.004232246900
  2  Al  1.981842152248  8.027425904544  1.988239894885  0.067679186729  0.117374955362  0.155154239841  -0.002408257836  -0.004226472356  -0.001863216827
  3  Al  1.977900977869  2.002168302340  8.082747642747  0.009878816894  -0.031232113349  -0.197155559449  -0.002767250776  -0.001436167219  -0.001550317936
  4  Al  0.015107686465  8.044314825212  4.158588897778  0.151649233346  0.054988635354  -0.344311011909  0.001250147750  -0.003261305499  0.005814757971
  5  Al  0.009802407154  2.023029864468  6.116301698509  -0.008923127370  -0.063580316451  -0.131845700310  0.000549368161  -0.000245416047  0.002216229417
  6  Al  2.003292182784  8.092503343432  6.059517180369  -0.051119113841  0.218329155704  0.085340640232  -0.001466719960  0.000091951908  -0.000769805174
  7  Al  2.019027991652  2.038873681088  4.094899807524  -0.038704844486  -0.100205580279  0.023222416050  -0.000437683589  0.000603960621  0.002801283261
  8  Al  8.069189856095  4.115593892414  8.005102473882  -0.003710395167  -0.183081057476  0.195796140481  -0.001860080740  0.003536044989  -0.005297514021
  9  Al  0.022479096434  6.065678618232  2.019784771952  -0.031752328794  -0.008890700871  0.102856800488  0.001322448045  -0.000576554323  -0.000054322494
  10  Al  2.066991312381  3.976507838348  2.016691635401  -0.135629847954  0.409814428288  0.214273713887  0.002274805606  -0.003427392915  -0.000046965317
  11  Al  2.039840933729  6.099101133333  0.083344118622  -0.130107476884  -0.008889712724  0.067709858427  0.000579265831  0.001464152301  0.005270063496
  12  Al  8.063729393044  4.076368257363  3.991348368210  0.259161880338  -0.038144947066  0.210888748093  -0.001615785490  0.001574211741  -0.003027522911
  13  Al  0.006122928417  6.049590886311  6.010685855770  -0.043475070666  0.022601198280  0.148860119591  0.000307096142  -0.001468125064  -0.003566028447
  14  Al  2.010504499320  4.019070810384  6.101640230850  -0.107176087647  -0.144446923952  -0.165969463952  -0.001146666106  -0.002233911664  0.001253547915
  15  Al  2.090216827985  6.084057180729  3.976339251818  -0.290400203961  -0.112895659112  0.052732548181  0.003275888975  0.000304430451  -0.004431954067
  16  Al  4.132104834560  0.088109469892  8.099995250737  -0.029030848170  -0.084403100737  0.200555205959  0.004856722982  0.005181224775  0.000466516636
  17  Al  3.956562298619  1.950096552709  2.012769208604  0.298765808384  0.136550903310  -0.006133615617  -0.004933099697  -0.004204462419  -0.000774776385
  18  Al  6.136016329478  8.025160474829  1.938780653149  -0.272955681706  0.048371290982  0.167088306816  0.003027770351  -0.004486828927  -0.004858266783
  19  Al  6.099269208795  2.106590533827  7.993482680943  -0.200320043441  -0.310542183971  0.144901352803  0.000965194720  0.004270102620  -0.006227855643
  20  Al  4.073583113655  0.088957375616  4.057815654695  -0.134909492560  -0.290894577086  -0.042856842414  0.001134003076  0.004705487308  0.000350116958
  21  Al  4.069853848903  2.000222331602  6.095895505052  0.033866147141  0.128634953883  0.138744040641  0.001282372802  -0.001226672110  0.001598306737
  22  Al  6.076370626534  0.011433184016  6.086648532671  0.010058806488  0.234341655771  0.091867643647  0.000133815483  0.001271815022  0.000910366546
  23  Al  6.140034875336  2.038336567944  4.030251180758  -0.182065449996  -0.010254326723  0.249960167813  0.003485938054  0.000771532754  -0.000559680658
  24  Al  4.068552573339  4.039322844787  0.091266619054  0.103726190554  -0.082332357086  -0.325106248003  0.001361000153  -0.000841537347  0.004830180345
  25  Al  4.019780898281  6.157960512858  2.103240472275  0.123069494071  -0.134428132214  -0.203849668747  -0.001606281700  0.004662559754  0.004298751718
  26  Al  6.030374085048  4.114941694695  1.967772550623  0.062081074784  -0.007556617747  0.163246574511  -0.002622315273  0.003972120200  -0.003135702874
  27  Al  6.041364812632  6.111215987066  0.075388503230  0.021967508478  -0.145119352247  -0.240142381871  -0.001947846375  0.001862278227  0.004120815712
  28  Al  4.067470538029  4.085725403936  4.110395433856  -0.048320663572  0.000271501615  -0.224373264059  0.000946277439  0.002132673057  0.003074304283
  29  Al  3.981093598348  6.098423182793  6.184136871050  0.332926695688  -0.057292073840  -0.201543630709  -0.003362241695  0.001274724527  0.006057842970
  30  Al  6.095295530330  3.973359579164  6.091388791688  -0.028418753673  0.174252644325  -0.052152634699  0.001175726015  -0.004336847496  0.000970987888
  31  Al  6.144469313966  6.044423081278  4.039934068131  -0.154043351007  0.109310537688  -0.161411449632  0.003841767572  -0.001616960656  -0.001005554049


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)
  -78.671941947896  -0.203050798043  0.117161087971
  -0.203050798043  -79.103659648462  -1.191485879623
  0.117161087971  -1.191485879623  -74.140385812664
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.023176601150  8.076869543973  8.060068524198  0.231993431638  0.026655593007  -0.130254348187  -0.003989878683  -0.001299907957  -0.002668480474
  1  Al  8.065739586929  1.972465167148  1.952036508264  0.189968353033  0.137939342355  0.015185095400  -0.001557343931  -0.002781450560  -0.004250188772
  2  Al  1.980641048566  8.025317914984  1.987315221810  0.070055432162  0.129225412083  0.159476308178  -0.002407566872  -0.004224821582  -0.001843990859
  3  Al  1.976517794061  2.001448822667  8.081963670997  0.011169612903  -0.031632291851  -0.195260059456  -0.002778783504  -0.001448781172  -0.001593090176
  4  Al  0.015739539006  8.042686630435  4.161480886185  0.152223645092  0.059644777290  -0.357172902001  0.001283509849  -0.003266827808  0.005779948234
  5  Al  0.010076692374  2.022904314427  6.117403919763  -0.010700282124  -0.064912462653  -0.137189254322  0.000550270245  -0.000258149413  0.002202811853
  6  Al  2.002556537798  8.092559078620  6.059136092477  -0.045271124540  0.217830718651  0.088805684907  -0.001482493845  0.000131579480  -0.000757895321
  7  Al  2.018807419765  2.039171182245  4.096301487188  -0.036877254858  -0.101837561608  0.018420992024  -0.000446596498  0.000588740225  0.002818612869
  8  Al  8.068259649872  4.117353731252  8.002462468888  -0.006048256130  -0.187710732191  0.203631746262  -0.001869980396  0.003519888562  -0.005287329783
  9  Al  0.023138901139  6.065389943659  2.019762208367  -0.037356061042  -0.009680428534  0.102985420771  0.001322654857  -0.000581019412  -0.000036094592
  10  Al  2.068122652579  3.974812460448  2.016677730700  -0.139148376869  0.414035661783  0.220582119456  0.002261156253  -0.003370009869  -0.000008128760
  11  Al  2.040124750886  6.099832812116  0.085982176977  -0.128457072958  -0.011851937899  0.060274938861  0.000558848158  0.001469391428  0.005307125134
  12  Al  8.062933084742  4.077153658168  3.989844033406  0.263513149097  -0.043792539024  0.213810346423  -0.001576670017  0.001574487350  -0.003004057057
  13  Al  0.006274533168  6.048857834044  6.008909495540  -0.048343312565  0.022181454128  0.155578175464  0.000300337509  -0.001471223789  -0.003555978195
  14  Al  2.009926375535  4.017947397826  6.102259586032  -0.103644797317  -0.142137520787  -0.171347475911  -0.001171167094  -0.002270492801  0.001229326538
  15  Al  2.091841791688  6.084204349559  3.974125631911  -0.294037653506  -0.116808312557  0.063050676500  0.003239278109  0.000285272219  -0.004443051747
  16  Al  4.134531898382  0.090696309491  0.000241226056  -0.027820405708  -0.092587290317  0.203337280166  0.004875175193  0.005190458649  0.000505062498
  17  Al  3.954109103494  1.948000425276  2.012381546241  0.307777839439  0.141217659814  -0.003862404612  -0.004902541915  -0.004199904947  -0.000779432695
  18  Al  6.137518013633  8.022919222545  1.936358988545  -0.280077290005  0.057346294356  0.174493714275  0.002992777088  -0.004499097024  -0.004851148279
  19  Al  6.099742851922  2.108711704014  7.990375230160  -0.204605703484  -0.320989810909  0.160122515637  0.000933501081  0.004234083950  -0.006230664962
  20  Al  4.074144084787  0.091297116387  4.057988797489  -0.136860939738  -0.298765030183  -0.041785788864  0.001115090038  0.004675342152  0.000344211633
  21  Al  4.070496549108  1.999614745483  6.096700860230  0.035468495460  0.133480886578  0.138653535261  0.001294821959  -0.001209075898  0.001630979354
  22  Al  6.076437983901  0.012079566515  6.087107822395  0.004816402161  0.233747175244  0.093319067723  0.000135800889  0.001320034228  0.000931418482
  23  Al  6.141769706103  2.038721875957  4.029982513558  -0.188494898536  -0.009607535108  0.249915796712  0.003469559355  0.000773491109  -0.000517490266
  24  Al  4.069237709938  4.038898395886  0.093667177094  0.107004830857  -0.081634789289  -0.337371066087  0.001386532774  -0.000860349186  0.004794098629
  25  Al  4.018983258593  6.160285783845  2.105380736128  0.132633874508  -0.137391296590  -0.212067125288  -0.001591102976  0.004660758880  0.004282241369
  26  Al  6.029065702414  4.116927417017  1.966211996249  0.066099195226  -0.014540990889  0.170763754260  -0.002623520970  0.003989403341  -0.003120908626
  27  Al  6.040391871384  6.112140639396  0.077438176808  0.018193206897  -0.150019398467  -0.255088856730  -0.001953687367  0.001844798711  0.004096317169
  28  Al  4.067941516832  4.086791752600  4.111922556594  -0.047750914648  0.000819085459  -0.226602747460  0.000942237314  0.002143116345  0.003048704827
  29  Al  3.979427359204  6.099057984121  6.187156783607  0.341381078855  -0.058976470048  -0.204244812229  -0.003317976436  0.001270463302  0.006050775601
  30  Al  6.095882123029  3.971198944446  6.091871954428  -0.034007356310  0.188074634411  -0.059215036052  0.001175821386  -0.004325336049  0.000965693537
  31  Al  6.146383312069  6.043619487092  4.039424076073  -0.162796846990  0.112677703746  -0.160945291080  0.003831940795  -0.001604862463  -0.001039390115


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)
  -78.392867392470  -0.208267481209  0.130112724083
  -0.208267481209  -78.853871549957  -1.241782876587
  0.130112724083  -1.241782876587  -73.668390148743
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.021192031832  8.076220781490  8.058728461639  0.241819047155  0.027654586694  -0.131417912826  -0.003967503240  -0.001301608454  -0.002705500531
  1  Al  8.064969406480  1.971080607707  1.949912092647  0.196836383028  0.141940455651  0.018103676009  -0.001530472369  -0.002770383046  -0.004268712928
  2  Al  1.979440396583  8.023211280522  1.986400354914  0.066628541581  0.142589346032  0.164870504795  -0.002407473099  -0.004221785328  -0.001824182314
  3  Al  1.975128901586  2.000723018128  8.081158397854  0.006871527576  -0.032666151012  -0.194023830142  -0.002791229173  -0.001461892494  -0.001636132555
  4  Al  0.016388098273  8.041055882631  4.164354894802  0.157794714998  0.065444235593  -0.369205646963  0.001317862923  -0.003272125596  0.005743940918
  5  Al  0.010351349198  2.022772338157  6.118499193379  -0.006790214629  -0.066983593892  -0.143933281557  0.000551484258  -0.000271307314  0.002188703504
  6  Al  2.001813267273  8.092634605315  6.058761114399  -0.044228220369  0.217407915898  0.091257698830  -0.001498040174  0.000171352549  -0.000745552897
  7  Al  2.018582473116  2.039461000255  4.097711617034  -0.040819848195  -0.104286542390  0.014442555836  -0.000455838476  0.000573199904  0.002835834040
  8  Al  8.067324389318  4.119105284930  7.999827906263  -0.002520762304  -0.192808143066  0.210505658360  -0.001880216513  0.003503516546  -0.005276884184
  9  Al  0.023798558765  6.065099001242  2.019748764483  -0.037873672803  -0.009724801004  0.103933493491  0.001322590842  -0.000585704231  -0.000017685265
  10  Al  2.069247010823  3.973145962758  2.016683526262  -0.148866119721  0.416922150213  0.227710379319  0.002246723998  -0.003312406376  0.000032109995
  11  Al  2.040398432981  6.100566978053  0.088638433812  -0.131891362035  -0.014383965416  0.050775039162  0.000538284363  0.001474472405  0.005343968793
  12  Al  8.062156528676  4.077938944333  3.988351562123  0.273356995743  -0.050635223045  0.217664343688  -0.001536412634  0.001573973179  -0.002980495337
  13  Al  0.006422540995  6.048123213653  6.007138460731  -0.047841977679  0.022667766339  0.161618838002  0.000293215447  -0.001474641601  -0.003545478457
  14  Al  2.009336159102  4.016805797929  6.102866590131  -0.105205304630  -0.139968177793  -0.177638262762  -0.001195861316  -0.002307334156  0.001204192599
  15  Al  2.093448287365  6.084341764379  3.971906924379  -0.303328214613  -0.119908146498  0.075532303539  0.003202001493  0.000265446909  -0.004453091333
  16  Al  4.136968242417  0.093287400197  0.000502846409  -0.031606353595  -0.100871362333  0.204203253773  0.004894514596  0.005199351062  0.000544237479
  17  Al  3.951671590095  1.945906785181  2.011991657245  0.310867186598  0.145136477115  -0.000248221704  -0.004871773066  -0.004195436170  -0.000783747670
  18  Al  6.139001882823  8.020672237392  1.933941214212  -0.280799151190  0.067786223163  0.183145965590  0.002957531282  -0.004510628870  -0.004843571076
  19  Al  6.100200456661  2.110814397859  7.987267055098  -0.203128478854  -0.332483232642  0.174907343655  0.000901590966  0.004196801886  -0.006232102652
  20  Al  4.074695512171  0.093621432774  4.058159035496  -0.144089857077  -0.305890506378  -0.038800985527  0.001095490878  0.004644680158  0.000338713224
  21  Al  4.071145545517  1.999016174081  6.097522547670  0.031378074784  0.137470164762  0.137049892608  0.001307382866  -0.001190851007  0.001664008122
  22  Al  6.076506099636  0.012750032043  6.087577702965  0.004697651547  0.232938297932  0.093560358382  0.000137343192  0.001368649023  0.000952924948
  23  Al  6.143496060127  2.039108192058  4.029734939571  -0.188872181433  -0.009823513943  0.250363658643  0.003453215759  0.000775660743  -0.000475158867
  24  Al  4.069935759403  4.038464572247  0.096049146043  0.104595113658  -0.080907045394  -0.351262508511  0.001412564294  -0.000879309110  0.004756492221
  25  Al  4.018193635792  6.162610021944  2.107512377488  0.136746308121  -0.139568696203  -0.219552651408  -0.001574953119  0.004659467110  0.004265137010
  26  Al  6.027756896539  4.118921468710  1.964659175015  0.075863384053  -0.022767523340  0.179579164919  -0.002624046103  0.004006246174  -0.003105228268
  27  Al  6.039415840931  6.113056332939  0.079474933013  0.019471131757  -0.154006434422  -0.271953411490  -0.001960193071  0.001826820132  0.004069697742
  28  Al  4.068410501041  4.087863347386  4.113436779946  -0.052459136923  0.000554647724  -0.227211259224  0.000938003030  0.002154088615  0.003023361894
  29  Al  3.977783630598  6.099690579546  6.190173041738  0.343667451098  -0.059730393026  -0.207562675198  -0.003273219757  0.001266228585  0.006044404048
  30  Al  6.096468513606  3.969044683290  6.092352154306  -0.034502418201  0.201898005871  -0.067682987217  0.001175617875  -0.004312191914  0.000959180030
  31  Al  6.148292005506  6.042822092513  4.038897186819  -0.165770237448  0.117003178811  -0.158730494072  0.003821816408  -0.001592349314  -0.001073375150


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)
  -78.099511457595  -0.210916285444  0.145974243559
  -0.210916285444  -78.596795885671  -1.290978791645
  0.145974243559  -1.290978791645  -73.191737336525
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.019219089436  8.075571213413  8.057369837040  0.245589688731  0.027663269244  -0.131107339694  -0.003944645239  -0.001303508679  -0.002743377423
  1  Al  8.064212968812  1.969701760871  1.947778545410  0.197397992007  0.146578668428  0.019128126301  -0.001503122005  -0.002759079428  -0.004287903099
  2  Al  1.978239638305  8.021106761551  1.985495633409  0.068931731522  0.155603194238  0.168425476770  -0.002408000139  -0.004217274881  -0.001803859172
  3  Al  1.973733594155  1.999990611716  8.080331658782  0.008270251122  -0.033328007122  -0.190694686350  -0.002804604375  -0.001475541386  -0.001679345487
  4  Al  0.017054083101  8.039422745167  4.167210361901  0.157455144971  0.070415020080  -0.382424762157  0.001353152348  -0.003277190611  0.005706715507
  5  Al  0.010626787807  2.022633690357  6.119587111365  -0.009162016988  -0.068434677308  -0.148807022960  0.000552962117  -0.000284909864  0.002173949605
  6  Al  2.001062270200  8.092729999645  6.058392417137  -0.037187943917  0.215191453754  0.095653856702  -0.001513265899  0.000211135436  -0.000732690992
  7  Al  2.018352729246  2.039742938636  4.099130179631  -0.038501631938  -0.105934638680  0.008466016824  -0.000465373750  0.000557333213  0.002852864362
  8  Al  8.066384168385  4.120848424749  7.997198873698  -0.005335406115  -0.197044394071  0.218795810404  -0.001890848970  0.003486976472  -0.005266161101
  9  Al  0.024458161247  6.064805714431  2.019744567640  -0.044367728903  -0.010329430110  0.102853051689  0.001322182189  -0.000590598697  0.000000805534
  10  Al  2.070363718560  3.971508395840  2.016709759831  -0.152260016136  0.419993276756  0.233276847813  0.002231522768  -0.003254679252  0.000073709017
  11  Al  2.040661679666  6.101303571297  0.091312687835  -0.129434450674  -0.017375421795  0.041516218651  0.000517640502  0.001479402478  0.005380476069
  12  Al  8.061400541319  4.078723667546  3.986871043972  0.276921634909  -0.056536039527  0.220060900388  -0.001495069739  0.001572651196  -0.002956891645
  13  Al  0.006567010199  6.047386906093  6.005372945806  -0.053191235255  0.022353878544  0.169550875605  0.000285683466  -0.001478380671  -0.003534433816
  14  Al  2.008733525805  4.015645874324  6.103460746064  -0.100711286833  -0.135979298533  -0.182392566524  -0.001220680728  -0.002344315240  0.001178193590
  15  Al  2.095035729450  6.084469127983  3.969683754980  -0.306269476740  -0.123806617817  0.087348381220  0.003164120828  0.000244945358  -0.004461962689
  16  Al  4.139414086922  0.095882566814  0.000784092960  -0.030073847044  -0.110418741018  0.206268390209  0.004914811416  0.005207811605  0.000584000328
  17  Al  3.949249599213  1.943815554644  2.011599772315  0.320077952513  0.149723945535  0.001914198535  -0.004840789270  -0.004191086077  -0.000787735663
  18  Al  6.140468096842  8.018419952977  1.931527615232  -0.287582440562  0.077853047525  0.190160212914  0.002922064103  -0.004521353496  -0.004835592727
  19  Al  6.100642172374  2.112897936921  7.984158822067  -0.206978186232  -0.343378169891  0.192046228887  0.000869494024  0.004158217966  -0.006232025832
  20  Al  4.075236816845  0.095930099657  4.058326657718  -0.145442594423  -0.313792752575  -0.037114706209  0.001075253767  0.004613509567  0.000333678788
  21  Al  4.071800639538  1.998426893445  6.098360677812  0.033215613969  0.142061475414  0.136722921857  0.001320090178  -0.001172016125  0.001697397392
  22  Al  6.076574981216  0.013444768813  6.088058347554  -0.001386803147  0.230661316049  0.095532397949  0.000138365832  0.001417538946  0.000974949823
  23  Al  6.145214225488  2.039495583322  4.029508551304  -0.195492042725  -0.009218901526  0.249031879111  0.003436903369  0.000778044400  -0.000432786116
  24  Al  4.070646716914  4.038021301177  0.098411690845  0.107978064424  -0.079087559603  -0.363856170577  0.001439126003  -0.000898330249  0.004717335029
  25  Al  4.017412271743  6.164933516829  2.109635132068  0.147470707443  -0.142309750138  -0.228802268589  -0.001557724986  0.004658733528  0.004247360152
  26  Al  6.026448264554  4.120923574098  1.963114588004  0.080215284174  -0.030572499431  0.186836824461  -0.002623872504  0.004022603013  -0.003088691744
  27  Al  6.038436614748  6.113962858972  0.081497625664  0.015114156797  -0.158740094599  -0.288329336433  -0.001967433489  0.001808357722  0.004040829988
  28  Al  4.068877157651  4.088940416486  4.114938304631  -0.051371850320  0.001301404027  -0.228922551505  0.000933623702  0.002165627715  0.002998330110
  29  Al  3.976162382531  6.100321023911  6.193185965785  0.352134171816  -0.061105751035  -0.209121365180  -0.003227967826  0.001262053815  0.006038866953
  30  Al  6.097054780297  3.966897612101  6.092828718916  -0.040808819168  0.217555130324  -0.074787453319  0.001175056116  -0.004297260917  0.000951439927
  31  Al  6.150195503840  6.042031147856  4.038353404048  -0.175214617279  0.120437664860  -0.157228386792  0.003811348566  -0.001579416855  -0.001107437547


MDSTEP:  39
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -77.799713193710  -0.214868117567  0.161506452408
  -0.214868117567  -78.330550219125  -1.339477653732
  0.161506452408  -1.339477653732  -72.706327001670
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.017257744587  8.074920695612  8.055992287878  0.254648459899  0.028539790137  -0.130083259240  -0.003921382338  -0.001305628641  -0.002781950668
  1  Al  8.063470231428  1.968328773171  1.945635448881  0.203099814387  0.149994131313  0.020423643684  -0.001475391215  -0.002747601064  -0.004307940497
  2  Al  1.977038719459  8.019005079517  1.984601232381  0.063922301490  0.170498370579  0.171677050867  -0.002409306950  -0.004211165374  -0.001783212090
  3  Al  1.972331661645  1.999251351273  8.079483462054  0.002596184534  -0.035158832065  -0.186604153516  -0.002819058976  -0.001489816421  -0.001722501358
  4  Al  0.017737697464  8.037787297387  4.170046625405  0.161677269831  0.076889522997  -0.396091892128  0.001389284803  -0.003281980879  0.005668133027
  5  Al  0.010902859326  2.022488176420  6.120667434548  -0.006155850605  -0.070903626639  -0.153839817241  0.000554627665  -0.000299002768  0.002158705757
  6  Al  2.000303974963  8.092845186344  6.058030347334  -0.036728401551  0.213542561683  0.100307286200  -0.001528236565  0.000250836540  -0.000719107203
  7  Al  2.018118321361  2.040016870002  4.100556990240  -0.043509698802  -0.108582712147  0.001957658979  -0.000475306408  0.000541116537  0.002869498290
  8  Al  8.065438505409  4.122583105172  7.994575573241  -0.002680875549  -0.202066887486  0.227505980063  -0.001901973327  0.003470285814  -0.005255017801
  9  Al  0.025117269120  6.064509953361  2.019749567901  -0.046262917781  -0.009758919907  0.101289273507  0.001321310160  -0.000595654034  0.000019160558
  10  Al  2.071472673976  3.969899829762  2.016757041731  -0.163254643238  0.421433049430  0.238611463662  0.002215438993  -0.003196950239  0.000116533169
  11  Al  2.040914714243  6.102042495861  0.094004781629  -0.133774370358  -0.019453628383  0.031689618317  0.000496828497  0.001484231789  0.005416660897
  12  Al  8.060665384747  4.079507466003  3.985402434793  0.285478907077  -0.064062812245  0.221899053419  -0.001452741017  0.001570463411  -0.002933432655
  13  Al  0.006707474303  6.046648714968  6.003613307761  -0.053700866472  0.023251488270  0.177978592809  0.000277646688  -0.001482415446  -0.003522641025
  14  Al  2.008118683683  4.014467638478  6.104041689977  -0.102883694000  -0.132647779896  -0.186985070280  -0.001245698506  -0.002381361253  0.001151472418
  15  Al  2.096604099728  6.084586066550  3.967456678077  -0.316234952003  -0.126684669851  0.099671056406  0.003125572693  0.000223776133  -0.004469701750
  16  Al  4.141870148340  0.098481536939  0.001085313247  -0.033051293696  -0.119601461022  0.208123158163  0.004936179129  0.005215789061  0.000624463736
  17  Al  3.946843511948  1.941726704213  2.011205990047  0.323569528263  0.153168739790  0.004170391184  -0.004809565868  -0.004186918748  -0.000791522964
  18  Al  6.141916274063  8.016162756232  1.929118318962  -0.286474872567  0.089700393097  0.197229790875  0.002886539100  -0.004531169157  -0.004827376017
  19  Al  6.101067667535  2.114961697024  7.981051393548  -0.203508696638  -0.355716585137  0.210263013128  0.000837378977  0.004118254724  -0.006230151421
  20  Al  4.075767942497  0.098222828018  4.058491838098  -0.151630562045  -0.320723173336  -0.035277253407  0.001054465737  0.004581856481  0.000329007346
  21  Al  4.072462169353  1.997847235479  6.099215487973  0.029713498545  0.145668884112  0.136110912957  0.001333010304  -0.001152600333  0.001731262106
  22  Al  6.076644102142  0.014163848764  6.088550092729  -0.000645722671  0.228440079470  0.097547063654  0.000138944437  0.001466607642  0.000997670297
  23  Al  6.146923938748  2.039884193440  4.029303289881  -0.194484963912  -0.009592597655  0.246713681646  0.003420758290  0.000780634342  -0.000390604229
  24  Al  4.071371106496  4.037568600866  0.100754094120  0.106070213403  -0.077682137093  -0.376753049304  0.001466285362  -0.000917365223  0.004676716358
  25  Al  4.016640001138  6.167256522398  2.111748584765  0.153137371402  -0.143891813562  -0.238391149035  -0.001539273834  0.004658639657  0.004228733267
  26  Al  6.025139913896  4.122933509024  1.961578593671  0.091830605326  -0.039895202193  0.194450899447  -0.002622844078  0.004038401616  -0.003071411837
  27  Al  6.037453573601  6.114859942208  0.083505152440  0.017535148841  -0.162132237587  -0.305174452351  -0.001975323750  0.001789464016  0.004009712553
  28  Al  4.069341673199  4.090023288516  4.116427236931  -0.055097606386  0.001009533356  -0.230375804211  0.000929189990  0.002177751089  0.002973540552
  29  Al  3.974564138889  6.100949319414  6.196196051612  0.354832660335  -0.061489906253  -0.210268208469  -0.003182178563  0.001257977577  0.006034394379
  30  Al  6.097640484216  3.964758706279  6.093301095907  -0.040492790358  0.232884629787  -0.082291981772  0.001174213172  -0.004280414601  0.000942554853
  31  Al  6.152093346093  6.041246822949  4.037792657222  -0.177539184699  0.125023808435  -0.155483498012  0.003800609784  -0.001566042249  -0.001141640888


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)
  -77.484993412400  -0.215932313378  0.179811340840
  -0.215932313378  -78.057346373961  -1.385962094712
  0.179811340840  -1.385962094712  -72.215542707644
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.015308436113  8.074269157010  8.054595497869  0.259625609517  0.029476623794  -0.129364681319  -0.003897616754  -0.001307894913  -0.002821221553
  1  Al  8.062741614309  1.966961677323  1.943482391562  0.204652739816  0.154974663304  0.022980922439  -0.001447185058  -0.002735927460  -0.004328726942
  2  Al  1.975836923287  8.016907118046  1.983717300239  0.064594615298  0.185891148135  0.176792575936  -0.002411559642  -0.004203256208  -0.001762100294
  3  Al  1.970922248205  1.998504871476  8.078613870236  0.002662388624  -0.035508245611  -0.182168645021  -0.002834742336  -0.001504708425  -0.001765530063
  4  Al  0.018439566781  8.036149743882  4.172862986754  0.162491919439  0.083599895286  -0.409605491650  0.001426393444  -0.003286360209  0.005628175812
  5  Al  0.011179897995  2.022335505669  6.121739910842  -0.007088547023  -0.072055550453  -0.160240700395  0.000556615438  -0.000313570061  0.002142837915
  6  Al  1.999538214934  8.092980149889  6.057675277432  -0.030002644103  0.211063341903  0.103256863280  -0.001542994862  0.000290451106  -0.000704925657
  7  Al  2.017878723289  2.040282574663  4.101991826892  -0.042540176407  -0.110239184827  -0.004941201985  -0.000485767298  0.000524543069  0.002885675272
  8  Al  8.064487398911  4.124309215761  7.991958233776  -0.004073017969  -0.207269198384  0.235906377877  -0.001913480884  0.003453370119  -0.005243468407
  9  Al  0.025775856264  6.064211690124  2.019763675774  -0.051577948073  -0.010592222075  0.100920587810  0.001320085622  -0.000600897561  0.000037451387
  10  Al  2.072573096049  3.968320192548  2.016825974162  -0.168351685892  0.422148751251  0.245179015308  0.002198320518  -0.003139424303  0.000160699417
  11  Al  2.041157148825  6.102783742185  0.096714528592  -0.132091011807  -0.023165567194  0.020617910809  0.000475771455  0.001488906033  0.005452407105
  12  Al  8.059951775043  4.080289834123  3.983945637273  0.290270134567  -0.071779091630  0.223861364963  -0.001409300212  0.001567250047  -0.002910165256
  13  Al  0.006843897238  6.045908546578  6.001859942828  -0.057618996083  0.022693013129  0.185316517519  0.000269228945  -0.001486780298  -0.003510164999
  14  Al  2.007491235566  4.013271028544  6.104609068021  -0.099065968325  -0.128377087152  -0.192734226776  -0.001270995290  -0.002418478124  0.001123930382
  15  Al  2.098152750486  6.084692291858  3.965226282462  -0.320071214259  -0.130510776124  0.113186521838  0.003086274180  0.000201933743  -0.004476179460
  16  Al  4.144336760524  0.101084085327  0.001406848145  -0.032779105654  -0.129009672142  0.209221345270  0.004958549698  0.005223327975  0.000665566694
  17  Al  3.944453192455  1.939640091426  2.010810414980  0.330998978951  0.157940979903  0.007862060415  -0.004778276407  -0.004182941804  -0.000794977365
  18  Al  6.143346738289  8.013901181229  1.926713447054  -0.291214816755  0.102345146425  0.205730023548  0.002851140976  -0.004539870384  -0.004818811175
  19  Al  6.101477260258  2.117004923983  7.977945716518  -0.205412426369  -0.366606914330  0.229005158083  0.000805411272  0.004076911362  -0.006226361410
  20  Al  4.076288397534  0.100499420048  4.058654764890  -0.154456945031  -0.327524322787  -0.032640940968  0.001032988106  0.004549830338  0.000324786268
  21  Al  4.073130002688  1.997277446659  6.100087203135  0.029836858614  0.150255316566  0.133833726777  0.001346004122  -0.001132598915  0.001765455218
  22  Al  6.076713545497  0.014907363774  6.089053288196  -0.006112175198  0.225807896038  0.098041906580  0.000139133121  0.001515855020  0.001020973719
  23  Al  6.148625624485  2.040274081825  4.029119015779  -0.199296487917  -0.008935690135  0.244305326526  0.003404957293  0.000783442287  -0.000348694481
  24  Al  4.072108990478  4.037106445892  0.103075611573  0.107676546776  -0.076148430722  -0.389839694523  0.001493907037  -0.000936453846  0.004634593247
  25  Al  4.015877209406  6.169579410314  2.113852295400  0.162738961236  -0.146519814069  -0.246726611594  -0.001519694532  0.004659227169  0.004209350618
  26  Al  6.023832596652  4.124950926531  1.960051579638  0.098276118677  -0.050104910838  0.202906372913  -0.002620782922  0.004053453839  -0.003053287210
  27  Al  6.036466695541  6.115747426964  0.085496367529  0.014115915271  -0.167140097166  -0.323133838834  -0.001983798629  0.001770114110  0.003976200191
  28  Al  4.069803805351  4.091112209186  4.117903709491  -0.055585684917  0.000730637901  -0.231267446976  0.000924563508  0.002190388351  0.002949074962
  29  Al  3.972988910499  6.101575559625  6.199203849888  0.361262201184  -0.062816790056  -0.212692512099  -0.003136030529  0.001254010491  0.006030948704
  30  Al  6.098225780789  3.962628908838  6.093768694912  -0.045866296443  0.248887976365  -0.090938939552  0.001173177960  -0.004261628908  0.000932381207
  31  Al  6.153985715047  6.040469390343  4.037214886722  -0.185997839745  0.128488175693  -0.152629646199  0.003789705060  -0.001552223639  -0.001175886645


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)
  -77.162107554886  -0.217766898840  0.198972677159
  -0.217766898840  -77.774384942403  -1.431927754344
  0.198972677159  -1.431927754344  -71.716410754673
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.013371232907  8.073616527147  8.053179104538  0.267777631269  0.029592263982  -0.128810428005  -0.003873442807  -0.001310386823  -0.002861274014
  1  Al  8.062027169684  1.965600640905  1.941319055330  0.209204133503  0.159236311169  0.025704160107  -0.001418601055  -0.002723994738  -0.004350177832
  2  Al  1.974634030823  8.014813799209  1.982844152656  0.060995270587  0.201452524401  0.181524375960  -0.002414654644  -0.004193501933  -0.001740390230
  3  Al  1.969504996045  1.997750930057  8.077722962332  -0.001195224641  -0.036324048336  -0.177687705995  -0.002851525139  -0.001520147010  -0.001808427743
  4  Al  0.019160026833  8.034510300663  4.175658765442  0.165723583069  0.090142061969  -0.422833118231  0.001464421967  -0.003290344649  0.005586895354
  5  Al  0.011457888858  2.022175499782  6.122804167098  -0.004961349050  -0.073565740675  -0.166888153161  0.000558853052  -0.000328537235  0.002126204522
  6  Al  1.998765376396  8.093134809898  6.057327430149  -0.026850310361  0.207329928960  0.106668012780  -0.001557314767  0.000329811457  -0.000690252794
  7  Al  2.017633938110  2.040539918546  4.103434443659  -0.045682025385  -0.112116960541  -0.011589873502  -0.000496599907  0.000507675895  0.002901407251
  8  Al  8.063530476407  4.126026635962  7.989347044503  -0.002070140094  -0.211672848353  0.243996737245  -0.001925450989  0.003436299587  -0.005231596897
  9  Al  0.026433593559  6.063910767875  2.019786912582  -0.054204061842  -0.010906697246  0.100166345719  0.001318449235  -0.000606416539  0.000055759152
  10  Al  2.073664731048  3.966769350294  2.016917283284  -0.177801544964  0.422891597436  0.251444201379  0.002180307272  -0.003082160295  0.000206320979
  11  Al  2.041389130132  6.103527159710  0.099441653758  -0.134086032114  -0.026529339148  0.008153961861  0.000454672331  0.001493321054  0.005487528846
  12  Al  8.059260099907  4.081070250648  3.982500561167  0.298070365953  -0.079191242649  0.226355742284  -0.001364798366  0.001563024568  -0.002887040800
  13  Al  0.006975936161  6.045166170799  6.000113143910  -0.058580247876  0.022699555468  0.192983930489  0.000260385304  -0.001491569556  -0.003497088369
  14  Al  2.006851309707  4.012056051072  6.105162418061  -0.098809932201  -0.122970173324  -0.198545748965  -0.001296374766  -0.002455513391  0.001095447939
  15  Al  2.099681580508  6.084787424944  3.962993252129  -0.328142241198  -0.134221780598  0.128127772456  0.003046394205  0.000179330551  -0.004481186522
  16  Al  4.146814570158  0.103689982628  0.001748983611  -0.035353801548  -0.139701538215  0.209248579968  0.004982009709  0.005230329350  0.000707172232
  17  Al  3.942078849787  1.937555680429  2.010413277729  0.334974384308  0.162296934123  0.011793440339  -0.004746895318  -0.004179101317  -0.000797953277
  18  Al  6.144759291580  8.011635820828  1.924313237525  -0.291182215782  0.115165186425  0.214403461928  0.002815777025  -0.004547398241  -0.004809781004
  19  Al  6.101870784033  2.119026992466  7.974842772261  -0.203019964451  -0.378153920946  0.248000849625  0.000773485680  0.004034259696  -0.006220615313
  20  Al  4.076797987417  0.102759694997  4.058815698986  -0.159972982934  -0.334714323032  -0.029088269862  0.001010874349  0.004517421998  0.000321172773
  21  Al  4.073804338446  1.996717863560  6.100975913063  0.026624397851  0.154548744387  0.131254623387  0.001359113368  -0.001111945211  0.001799829707
  22  Al  6.076782838846  0.015675384816  6.089568157493  -0.007724552510  0.221654448295  0.098542888165  0.000138718946  0.001565141548  0.001044745217
  23  Al  6.150319194650  2.040665403547  4.028955588899  -0.199729864029  -0.008648907884  0.241735175998  0.003389388957  0.000786535613  -0.000307064176
  24  Al  4.072860757099  4.036634815161  0.105375482503  0.105944355246  -0.073427789466  -0.403927011356  0.001522032606  -0.000955493410  0.004590862006
  25  Al  4.015124636513  6.171902474515  2.115945942119  0.169506456255  -0.148799823640  -0.255501288010  -0.001498882730  0.004660469618  0.004189300856
  26  Al  6.022526598098  4.126975413779  1.958534005875  0.108815881371  -0.060232498333  0.211759378307  -0.002617796640  0.004067717628  -0.003034213985
  27  Al  6.035475427202  6.116625012917  0.087470023658  0.014409655529  -0.171515626671  -0.342481784896  -0.001993070463  0.001750220052  0.003940065331
  28  Al  4.070263602445  4.092207436021  4.119367909400  -0.058861659390  0.000807810777  -0.231219976180  0.000919787766  0.002203596632  0.002925079176
  29  Al  3.971437043525  6.102199756983  6.202209816961  0.364178921582  -0.063836070057  -0.214596572550  -0.003089502154  0.001250102865  0.006028507768
  30  Al  6.098810319562  3.960509219587  6.094230820577  -0.047682318883  0.266297629788  -0.100050813534  0.001171765166  -0.004240725766  0.000920768445
  31  Al  6.155872253541  6.039699021899  4.036620120909  -0.190314567270  0.132414331932  -0.148642893751  0.003778475220  -0.001538021998  -0.001209997354


MDSTEP:  42
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -76.824265188077  -0.217717372440  0.220966220011
  -0.217717372440  -77.484036798157  -1.475988511699
  0.220966220011  -1.475988511699  -71.214514313017
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.011446481068  8.072962656499  8.051742709751  0.271466571035  0.029722122821  -0.126983760982  -0.003848989245  -0.001313188655  -0.002902052181
  1  Al  8.061327220506  1.964245761341  1.939145115380  0.209125068390  0.163770780220  0.027500699794  -0.001389779913  -0.002711854661  -0.004372406166
  2  Al  1.973429429967  8.012726053098  1.981982071616  0.062062359613  0.217667792528  0.185262151612  -0.002418579925  -0.004181841597  -0.001718203872
  3  Al  1.968079180049  1.996989232880  8.076810805884  -0.000235298219  -0.037030595485  -0.171654924890  -0.002869361624  -0.001536185609  -0.001851082895
  4  Al  0.019899645601  8.032869157656  4.178433312630  0.164632531249  0.096898450469  -0.436998113848  0.001503232941  -0.003293952370  0.005544244003
  5  Al  0.011737093614  2.022007942802  6.123859809518  -0.007245660721  -0.074741221606  -0.172612159367  0.000561225421  -0.000343918302  0.002108868564
  6  Al  1.997985518813  8.093308983200  6.056987071774  -0.018412169013  0.202852767061  0.111088464631  -0.001571057161  0.000368757323  -0.000674951060
  7  Al  2.017383596187  2.040788744905  4.104884629221  -0.043638199683  -0.113488552894  -0.019687363231  -0.000507718514  0.000490534314  0.002916611292
  8  Al  8.062567658378  4.127735324055  7.986742152621  -0.004637091762  -0.216167068392  0.253066820764  -0.001938011271  0.003419152702  -0.005219371729
  9  Al  0.027090395275  6.063607072080  2.019819269558  -0.061284266045  -0.011356551416  0.098275605695  0.001316248038  -0.000612185028  0.000073956149
  10  Al  2.074746937019  3.965247173249  2.017031683239  -0.182041604882  0.422813982842  0.256970765084  0.002161477360  -0.003025225352  0.000253336406
  11  Al  2.041610472701  6.104272634385  0.102185782661  -0.130922954131  -0.030119382287  -0.004490314448  0.000433657083  0.001497498686  0.005521935638
  12  Al  8.058591024363  4.081848223111  3.981067158787  0.301260552369  -0.086921793746  0.227610691383  -0.001319361203  0.001557788252  -0.002864132855
  13  Al  0.007103510298  6.044421400683  5.998373226037  -0.063755646122  0.022267792653  0.201796154315  0.000250997624  -0.001496787102  -0.003483292858
  14  Al  2.006198705556  4.010822797654  6.105701267107  -0.093242729006  -0.116870172479  -0.203479636065  -0.001321701167  -0.002492336689  0.001066086636
  15  Al  2.101190109770  6.084871090554  3.960758386133  -0.330637811058  -0.138268117573  0.142822373592  0.003006051940  0.000155932506  -0.004484641255
  16  Al  4.149303994711  0.106298902695  0.002111923063  -0.034144383233  -0.150712604329  0.209917586605  0.005006696024  0.005236685344  0.000749269589
  17  Al  3.939720375362  1.935473384385  2.010014828253  0.343421165054  0.166944153577  0.015039413485  -0.004715348563  -0.004175436590  -0.000800494786
  18  Al  6.146154164352  8.009367269550  1.921917930780  -0.296030679980  0.128572336073  0.222277741111  0.002780440424  -0.004553712042  -0.004800368045
  19  Al  6.102248451954  2.121027218970  7.971743550154  -0.205126129196  -0.389529492011  0.268812911141  0.000741574426  0.003990255675  -0.006212755271
  20  Al  4.077296273857  0.105003444386  4.058974985137  -0.161185138245  -0.341829819423  -0.026203916112  0.000988262219  0.004484616769  0.000318193459
  21  Al  4.074485085231  1.996168799228  6.101881694951  0.027588588235  0.159113075075  0.129090096752  0.001372430081  -0.001090635050  0.001834425708
  22  Al  6.076851853034  0.016467863464  6.090094934933  -0.014618762511  0.216924235647  0.099808623203  0.000137570502  0.001614313087  0.001069075623
  23  Al  6.152004961276  2.041058284750  4.028812862286  -0.205295934172  -0.007997051209  0.237811597444  0.003374002992  0.000789922574  -0.000265833663
  24  Al  4.073626509076  4.036153786261  0.107652858114  0.108222508879  -0.070403157340  -0.417363700216  0.001550749599  -0.000974365200  0.004545492238
  25  Al  4.014382772025  6.174226058026  2.118029171731  0.181183004685  -0.151205336896  -0.265168007846  -0.001476644628  0.004662424062  0.004168479650
  26  Al  6.021222563808  4.129006580222  1.957026364451  0.114942859703  -0.070824225885  0.219867814841  -0.002613924910  0.004081188779  -0.003014229490
  27  Al  6.034479536077  6.117492456256  0.089424747511  0.009811286653  -0.176296630701  -0.361615718814  -0.002003268531  0.001729801556  0.003901196204
  28  Al  4.070720865233  4.093309270446  4.120820113538  -0.058049494298  0.000942444811  -0.231649656591  0.000914982916  0.002217438281  0.002901606564
  29  Al  3.969908571115  6.102821954966  6.205214478455  0.371567452005  -0.065188331621  -0.215557030589  -0.003042504123  0.001246259612  0.006027250216
  30  Al  6.099394070762  3.958400760112  6.094686732564  -0.054607061406  0.284502631482  -0.108562313884  0.001169840374  -0.004217513491  0.000907720685
  31  Al  6.157752984158  6.038935929773  4.036008477948  -0.200172934189  0.135957540035  -0.144992894569  0.003766813242  -0.001523431781  -0.001243925210


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)
  -76.478865281157  -0.218133106538  0.243007862143
  -0.218133106538  -77.184383295607  -1.518186828284
  0.243007862143  -1.518186828284  -70.704428899773
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.009534120903  8.072307390740  8.050286007532  0.280155221854  0.030684877501  -0.124072893058  -0.003824221006  -0.001316236782  -0.002943389062
  1  Al  8.060641678365  1.962897154506  1.936960141569  0.214006622713  0.167977649163  0.030281786971  -0.001360686018  -0.002699523901  -0.004395453349
  2  Al  1.972222914170  8.010644861972  1.981131250831  0.056794044444  0.235629644965  0.189645755046  -0.002423509921  -0.004168070536  -0.001695570657
  3  Al  1.966644488720  1.996219484821  8.075877591523  -0.005425669363  -0.037961339541  -0.164167027604  -0.002888407399  -0.001552857087  -0.001893257300
  4  Al  0.020658621087  8.031226512797  4.181185900973  0.167861619642  0.105185204546  -0.452231262023  0.001542860769  -0.003297048853  0.005500050459
  5  Al  0.012017382446  2.021832642746  6.124906528099  -0.004523740527  -0.076303559609  -0.179119013688  0.000563792031  -0.000359730583  0.002090844458
  6  Al  1.997199167216  8.093502429307  6.056654561858  -0.015704555338  0.199004473484  0.114983132507  -0.001584276092  0.000407297373  -0.000658970123
  7  Al  2.017127786318  2.041028939165  4.106342054849  -0.047963544001  -0.115344346212  -0.029106261158  -0.000519240469  0.000473113570  0.002931062655
  8  Al  8.061598445466  4.129435237816  7.984143778752  -0.001816232082  -0.221474499802  0.263210732648  -0.001951111705  0.003401863245  -0.005206636487
  9  Al  0.027745779909  6.063300471932  2.019860640516  -0.063806590799  -0.011484085286  0.096543430114  0.001313495882  -0.000618194944  0.000091963110
  10  Al  2.075819538505  3.963753460206  2.017169837943  -0.192937605352  0.421093879590  0.262678024440  0.002141701329  -0.002968836532  0.000301729330
  11  Al  2.041821449033  6.105020037402  0.104946549764  -0.133746547821  -0.033746201009  -0.016895687078  0.000412644442  0.001501426285  0.005555683758
  12  Al  8.057944809999  4.082623231864  3.979645266476  0.309161856784  -0.096147246946  0.227700998451  -0.001272960573  0.001551379782  -0.002841668002
  13  Al  0.007226159255  6.043674002494  5.996640599824  -0.064194312137  0.022342072045  0.210367457428  0.000241106570  -0.001502442672  -0.003468710179
  14  Al  2.005533687056  4.009571405255  6.106225214959  -0.093571923507  -0.111363287087  -0.208751129004  -0.001347048501  -0.002528973201  0.001035882474
  15  Al  2.102678356349  6.084942876272  3.958522449615  -0.339389566776  -0.141941644230  0.157298827127  0.002965184468  0.000131727468  -0.004486608626
  16  Al  4.151805816482  0.108910508568  0.002495941099  -0.037205530840  -0.161234947088  0.210946493276  0.005032620042  0.005242446912  0.000791977968
  17  Al  3.937378051883  1.933393128433  2.009615253116  0.346342317440  0.171352617656  0.019051585761  -0.004683747560  -0.004171971546  -0.000802598678
  18  Al  6.147531152099  8.007096160666  1.919527682493  -0.293958076252  0.143760519567  0.230973128280  0.002745317096  -0.004558625925  -0.004790596929
  19  Al  6.102610070102  2.123004934979  7.968649188359  -0.200871973577  -0.401610273007  0.291207513602  0.000709834671  0.003944848971  -0.006202501562
  20  Al  4.077783200049  0.107230473101  4.059132910561  -0.167069344078  -0.347793678834  -0.023748476736  0.000965111219  0.004451537807  0.000315754470
  21  Al  4.075172533471  1.995630594000  6.102804678086  0.023496247624  0.163259059635  0.126011967704  0.001385892594  -0.001068674667  0.001869229587
  22  Al  6.076919984832  0.017284716443  6.090633934155  -0.015476937264  0.212505442513  0.100416177009  0.000135751309  0.001663380455  0.001093997569
  23  Al  6.153682786118  2.041452888572  4.028690575548  -0.204130074988  -0.007664088263  0.232324231555  0.003358960608  0.000793616429  -0.000225249658
  24  Al  4.074406721383  4.035663456665  0.109906948225  0.105342986911  -0.068002969238  -0.430075866833  0.001579983569  -0.000993113058  0.004498606752
  25  Al  4.013652548526  6.176550511232  2.120101558642  0.187862468138  -0.153195582726  -0.274606397259  -0.001452978394  0.004665154855  0.004146841348
  26  Al  6.019920739258  4.131044008794  1.955529077718  0.127352997033  -0.083082620524  0.228959248290  -0.002609010169  0.004093705700  -0.002993317745
  27  Al  6.033478340373  6.118349476638  0.091359181520  0.011177677660  -0.180432482620  -0.380491973911  -0.002014321365  0.001708878933  0.003859625915
  28  Al  4.071175761899  4.094418031713  4.122260562164  -0.061810047619  -0.000074722099  -0.232733518052  0.000910109236  0.002231841272  0.002878567572
  29  Al  3.968403927985  6.103442170877  6.208218468242  0.373328495751  -0.066073189577  -0.216709197989  -0.002995135702  0.001242500105  0.006027293037
  30  Al  6.099976550033  3.956304720532  6.095135740210  -0.055617663300  0.302198956761  -0.118103603252  0.001167480013  -0.004191969595  0.000893189993
  31  Al  6.159627443121  6.038180291136  4.035380034213  -0.203662620372  0.139936366270  -0.141788182564  0.003754811470  -0.001508449279  -0.001277764762


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)
  -76.117952633619  -0.216323163887  0.268817107062
  -0.216323163887  -76.876926767906  -1.558347444718
  0.268817107062  -1.558347444718  -70.192143118063
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.007634533238  8.071650643952  8.048808766987  0.284154415018  0.030555014481  -0.122577944127  -0.003799122404  -0.001319567009  -0.002985359777
  1  Al  8.059970901375  1.961554901095  1.934763768479  0.214053294426  0.172576713825  0.032017781425  -0.001331301096  -0.002687008093  -0.004419372809
  2  Al  1.971013697883  8.008571359264  1.980291942600  0.057480807802  0.253104759423  0.193287276842  -0.002429505106  -0.004152083497  -0.001672496731
  3  Al  1.965200042495  1.995441359420  8.074923624666  -0.004513356785  -0.038585285343  -0.157716563793  -0.002908704755  -0.001570177570  -0.001934944701
  4  Al  0.021437554825  8.029582690111  4.183915711628  0.166877876070  0.112555386361  -0.465760483044  0.001583351414  -0.003299600129  0.005454377897
  5  Al  0.012299076252  2.021649366712  6.125943943772  -0.006508855314  -0.077325111137  -0.184815359873  0.000566586367  -0.000375973622  0.002072135655
  6  Al  1.996406327182  8.093714973422  6.056330216501  -0.006583595344  0.193315017333  0.119690943052  -0.001596924379  0.000445342071  -0.000642276123
  7  Al  2.016866022130  2.041260340099  4.107806285137  -0.045824003593  -0.116790951621  -0.037320214799  -0.000531169323  0.000455399570  0.002944773666
  8  Al  8.060622808429  4.131126269608  7.981552225934  -0.003903168470  -0.225869104614  0.271737956434  -0.001964733022  0.003384454381  -0.005193466726
  9  Al  0.028399675718  6.062990861125  2.019910937528  -0.070619615118  -0.011967273995  0.093865683425  0.001310220942  -0.000624458280  0.000109717657
  10  Al  2.076881764928  3.962287864684  2.017332444221  -0.197389072077  0.419752199599  0.267696315288  0.002120958855  -0.002913103664  0.000351489788
  11  Al  2.042021792832  6.105769242102  0.107723636412  -0.130357752086  -0.037740887909  -0.031955193122  0.000391647038  0.001505078274  0.005588607433
  12  Al  8.057322149137  4.083394624008  3.978234610628  0.312514402326  -0.104342030194  0.229367433051  -0.001225560921  0.001543757160  -0.002819620800
  13  Al  0.007343843078  6.042923779841  5.994915648084  -0.068754570809  0.021892595110  0.220016766032  0.000230760825  -0.001508554202  -0.003453276700
  14  Al  2.004855980174  4.008301940756  6.106733825095  -0.087599134449  -0.104088407467  -0.213354590395  -0.001372402647  -0.002565352165  0.001004851565
  15  Al  2.104145777992  6.085002395265  3.956286176503  -0.341800375591  -0.145974985553  0.174117628780  0.002923796091  0.000106699901  -0.004486919949
  16  Al  4.154320463429  0.111524524880  0.002901359315  -0.036564579234  -0.173035452620  0.210007340884  0.005059787316  0.005247578716  0.000835183840
  17  Al  3.935051659480  1.931314802061  2.009214805376  0.353939095262  0.176125090268  0.022436819139  -0.004652185383  -0.004168723789  -0.000804256177
  18  Al  6.148890670827  8.004823273747  1.917142708444  -0.297971606670  0.158577913179  0.238803607322  0.002710485169  -0.004562038041  -0.004780497891
  19  Al  6.102956008533  2.124959407630  7.965560954449  -0.202269112556  -0.413069959921  0.312764295973  0.000678320353  0.003898027378  -0.006189809445
  20  Al  4.078258287719  0.109440695752  4.059289726248  -0.168766704648  -0.354545788693  -0.019348286637  0.000941369160  0.004418230539  0.000313996846
  21  Al  4.075866530042  1.995103554288  6.103744925569  0.023688111996  0.167701113599  0.123319699373  0.001399448896  -0.001046067122  0.001904225922
  22  Al  6.076987168673  0.018125905587  6.091185421506  -0.022750326368  0.206625045732  0.101710003934  0.000133222770  0.001712275863  0.001119537805
  23  Al  6.155353141881  2.041849354205  4.028588335528  -0.209286576072  -0.006977222843  0.228192568977  0.003344316966  0.000797629824  -0.000185316341
  24  Al  4.075201421961  4.035163860427  0.112137027365  0.106763315748  -0.064433670511  -0.444542676668  0.001609686621  -0.001011703558  0.004450110584
  25  Al  4.012934456714  6.178876240872  2.122162704508  0.199424709677  -0.155505260833  -0.284752326999  -0.001427882985  0.004668709962  0.004124355525
  26  Al  6.018621926807  4.133087147881  1.954042653241  0.134139236258  -0.094804429386  0.236935815400  -0.002603001913  0.004105195321  -0.002971494853
  27  Al  6.032471679328  6.119195850837  0.093271986623  0.006534434613  -0.185325161792  -0.401782413587  -0.002026258460  0.001687440187  0.003815148357
  28  Al  4.071628053630  4.095533949009  4.123689442846  -0.061495191304  -0.000152509139  -0.231829848928  0.000905125435  0.002246813191  0.002856093700
  29  Al  3.966923047783  6.104060467482  6.211222427937  0.379707935015  -0.067249471391  -0.217111291810  -0.002947482351  0.001238847571  0.006028737547
  30  Al  6.100557803950  3.954222243919  6.095577056018  -0.062707181272  0.321540979101  -0.126817074557  0.001164673333  -0.004163992624  0.000877147170
  31  Al  6.161495745210  6.037432321602  4.034734813951  -0.213612856452  0.143461136950  -0.136283666991  0.003742479658  -0.001493076547  -0.001311374549


MDSTEP:  45
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -75.748662037723  -0.215079719006  0.295595084161
  -0.215079719006  -76.560609461775  -1.597089619435
  0.295595084161  -1.597089619435  -69.672379605677
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.005747673636  8.070992226246  8.047310607909  0.291464994809  0.030718971544  -0.120413024166  -0.003773829553  -0.001323264455  -0.003028079195
  1  Al  8.059314818932  1.960219111166  1.932555513258  0.217327135102  0.176585139776  0.035144329018  -0.001301762200  -0.002674336682  -0.004444183800
  2  Al  1.969801514701  8.006506631207  1.979464334107  0.053889307627  0.271417082226  0.197937496101  -0.002436442588  -0.004133855089  -0.001648955099
  3  Al  1.963745488372  1.994654545886  8.073949102442  -0.007646471361  -0.039698039875  -0.150432441197  -0.002930108724  -0.001588188278  -0.001976195613
  4  Al  0.022236689913  8.027937921232  4.186622081251  0.168691373013  0.120653242665  -0.479833235224  0.001624615881  -0.003301644502  0.005407336073
  5  Al  0.012582078492  2.021457923497  6.126971750420  -0.005139808325  -0.078850798599  -0.191958839638  0.000569493760  -0.000392658263  0.002052685293
  6  Al  1.995607570708  8.093946285569  6.056014428582  -0.001104442539  0.187456491516  0.123329129655  -0.001608766605  0.000482729940  -0.000624883140
  7  Al  2.016598389152  2.041482819371  4.109277003770  -0.048030558630  -0.118731008971  -0.046130268926  -0.000543327195  0.000437376775  0.002957822303
  8  Al  8.059640267448  4.132808400531  7.978967639160  -0.002235936274  -0.230452410979  0.280779444700  -0.001979003939  0.003367005827  -0.005179989256
  9  Al  0.029051629518  6.062678097052  2.019969992119  -0.074328374580  -0.011923863609  0.091988064613  0.001306320506  -0.000630969167  0.000127214936
  10  Al  2.077933421135  3.960850075624  2.017520155044  -0.206445777217  0.417640964209  0.273493081841  0.002099413294  -0.002858058624  0.000402663735
  11  Al  2.042211789406  6.106520094235  0.110516511743  -0.130788115752  -0.041485596916  -0.047163540839  0.000370872353  0.001508454860  0.005620505933
  12  Al  8.056723337958  4.084161838537  3.976835052870  0.319045033952  -0.113334960130  0.230516300965  -0.001177262908  0.001534940014  -0.002797907754
  13  Al  0.007456150186  6.042170481331  5.993198844404  -0.070106370708  0.022107447911  0.228747415414  0.000219871308  -0.001515126265  -0.003436989019
  14  Al  2.004165863200  4.007014611959  6.107226714004  -0.085440001527  -0.096725749502  -0.218974528982  -0.001397562690  -0.002601342081  0.000972947912
  15  Al  2.105592397684  6.085049220186  3.954050499523  -0.348428371874  -0.149464047013  0.191265409696  0.002882073962  0.000080848454  -0.004485355683
  16  Al  4.156848722663  0.114140579615  0.003328338488  -0.038833075459  -0.185027823115  0.208980533718  0.005088328447  0.005251984509  0.000878734051
  17  Al  3.932741387738  1.929238312895  2.008813680205  0.357806698339  0.180275190164  0.027114228565  -0.004620594258  -0.004165746457  -0.000805410935
  18  Al  6.150232594188  8.002549343103  1.914763133934  -0.297292463326  0.174463742083  0.247954844068  0.002675822702  -0.004563909751  -0.004770056820
  19  Al  6.103286127353  2.126889957240  7.962480030178  -0.199287096044  -0.425456492231  0.335289108226  0.000646907063  0.003849757297  -0.006174688204
  20  Al  4.078721428488  0.111633962952  4.059445859810  -0.173496384031  -0.360816794528  -0.014986930426  0.000917130316  0.004384680286  0.000313098274
  21  Al  4.076567313340  1.994588016907  6.104702550876  0.020393809820  0.171539971354  0.119220954364  0.001413188604  -0.001022831356  0.001939356056
  22  Al  6.077052763126  0.018991279584  6.091749736809  -0.026057691974  0.200363480862  0.101834354396  0.000129759096  0.001760869925  0.001145678469
  23  Al  6.157015945329  2.042247857237  4.028505877483  -0.209841559109  -0.006837529550  0.223133226134  0.003329936441  0.000801955421  -0.000145980344
  24  Al  4.076011037554  4.034655128487  0.114342211759  0.104493468856  -0.060717867302  -0.458804051311  0.001639943925  -0.001030034101  0.004399859937
  25  Al  4.012229429434  6.181203644824  2.124212153945  0.207710279324  -0.157162969811  -0.294156544684  -0.001401201107  0.004673160569  0.004101037404
  26  Al  6.017326421826  4.135135507818  1.952567496760  0.145243853044  -0.107323840965  0.246440880279  -0.002596025678  0.004115662522  -0.002948727312
  27  Al  6.031458842185  6.120031286963  0.095161601272  0.005726857204  -0.189356866914  -0.423290609056  -0.002039302496  0.001665492130  0.003767510718
  28  Al  4.072077867535  4.096657348787  4.125107126985  -0.064290633356  -0.000695827776  -0.230985554952  0.000900121567  0.002262424628  0.002834371398
  29  Al  3.965466279416  6.104676885240  6.214227091914  0.382134930018  -0.067810984359  -0.218208917307  -0.002899478653  0.001235338899  0.006031642646
  30  Al  6.101137337628  3.952154620373  6.096009960925  -0.065909620844  0.341030597078  -0.137129835247  0.001161226838  -0.004133419650  0.000859510208
  31  Al  6.163357436622  6.036692195989  4.034073034845  -0.219224988178  0.147621150756  -0.130700479799  0.003729645008  -0.001477297335  -0.001344565736


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)
  -75.365070680584  -0.212092443732  0.324952251409
  -0.212092443732  -76.236199145895  -1.632421286541
  0.324952251409  -1.632421286541  -69.150143105463
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.003873787240  8.070331967145  8.045791185893  0.297035718537  0.030566381144  -0.118189225037  -0.003748213416  -0.001327345403  -0.003071531868
  1  Al  8.058673652277  1.958889836117  1.930334992297  0.218413613571  0.181186192141  0.037313617748  -0.001271968267  -0.002661521004  -0.004469899244
  2  Al  1.968585702240  8.004451835909  1.978648704292  0.052605382938  0.290056482152  0.201905312566  -0.002444528032  -0.004113284476  -0.001624912393
  3  Al  1.962280092216  1.993858677259  8.072954280359  -0.008433837417  -0.040593840815  -0.142570010398  -0.002952813058  -0.001606939825  -0.002016916065
  4  Al  0.023056538297  8.026292492137  4.189304300914  0.168655442043  0.128550109422  -0.493916416222  0.001666778928  -0.003303155910  0.005358879305
  5  Al  0.012866595624  2.021258069763  6.127989512575  -0.006022991774  -0.079832186760  -0.198078432097  0.000572619940  -0.000409795842  0.002032454396
  6  Al  1.994803138037  8.094196029777  6.055707499779  0.007118426907  0.180641089251  0.127968876049  -0.001619895782  0.000519378268  -0.000606787487
  7  Al  2.016324578606  2.041696200525  4.110753852915  -0.047400388968  -0.120307133174  -0.055427366658  -0.000555862086  0.000419024840  0.002970134644
  8  Al  8.058650665532  4.134481602305  7.976390195272  -0.002820724015  -0.234771386984  0.289895643246  -0.001993815872  0.003349539224  -0.005166179198
  9  Al  0.029701467320  6.062362079477  2.020037711420  -0.080061757350  -0.012330923151  0.089157151605  0.001301894652  -0.000637730594  0.000144449543
  10  Al  2.078973899730  3.959439714713  2.017733711954  -0.212997449382  0.415050404748  0.278412927230  0.002076873441  -0.002803810232  0.000455282775
  11  Al  2.042391379401  6.107272467273  0.113324656516  -0.128758905369  -0.045623725575  -0.063520952935  0.000350191185  0.001511553871  0.005651312735
  12  Al  8.056148967702  4.084924242512  3.975446402988  0.323384983879  -0.122042769210  0.231566839211  -0.001127953882  0.001524879913  -0.002776595465
  13  Al  0.007562952110  6.041413906393  5.991490574822  -0.073204525809  0.021674763629  0.238621191647  0.000208561520  -0.001522175185  -0.003419836970
  14  Al  2.003463262718  4.005709617312  6.107703399878  -0.080653367885  -0.088285186563  -0.223849782144  -0.001422657590  -0.002636873229  0.000940130752
  15  Al  2.107017860042  6.085082963424  3.951816371177  -0.352371098270  -0.153333691517  0.209124735172  0.002839876367  0.000054168688  -0.004481840226
  16  Al  4.159391151062  0.116758301193  0.003777046868  -0.039852794118  -0.197533616602  0.207581718704  0.005118155998  0.005255635962  0.000922619311
  17  Al  3.930447084440  1.927163497902  2.008412186734  0.363553632728  0.184968242416  0.031310870826  -0.004589157217  -0.004163077295  -0.000805992699
  18  Al  6.151557216672  8.000275186694  1.912389189016  -0.298862936643  0.190619747658  0.256577736138  0.002641551837  -0.004564143449  -0.004759228915
  19  Al  6.103600672823  2.128795818137  7.959407673378  -0.198114280393  -0.437148876284  0.358623440216  0.000615814891  0.003800009446  -0.006156996878
  20  Al  4.079172238420  0.113810174715  4.059601739037  -0.176492236980  -0.367306800101  -0.010301600803  0.000892267882  0.004350922801  0.000313092454
  21  Al  4.077274819237  1.994084269003  6.105677558038  0.018770606783  0.175690138723  0.115355022925  0.001426967185  -0.000998984123  0.001974548080
  22  Al  6.077116477905  0.019880670722  6.092327128003  -0.031995715078  0.193342121237  0.102495455145  0.000125472845  0.001809096407  0.001172389195
  23  Al  6.158671533707  2.042648529312  4.028442861286  -0.212952860351  -0.006129679475  0.217718243301  0.003316021593  0.000806605500  -0.000107341636
  24  Al  4.076835680337  4.034137397369  0.116521633352  0.104008884685  -0.056466071712  -0.473251550690  0.001670616005  -0.001048058594  0.004347848939
  25  Al  4.011538113455  6.183533199981  2.126249523955  0.218256071610  -0.159025298577  -0.304249842491  -0.001373008712  0.004678589730  0.004076902996
  26  Al  6.016034901335  4.137188541742  1.951104148923  0.154423769605  -0.120209078935  0.255014768625  -0.002587874009  0.004125030561  -0.002924963728
  27  Al  6.030439446926  6.120855568844  0.097026435694  0.002665892254  -0.194310293776  -0.445615987251  -0.002053340772  0.001643025973  0.003716598802
  28  Al  4.072525054550  4.097788529998  4.126513987712  -0.065266341600  -0.001073002062  -0.229724557603  0.000894985134  0.002278678003  0.002813447271
  29  Al  3.964033621383  6.105291523563  6.217233159377  0.386480916588  -0.068872421015  -0.218702003604  -0.002851300602  0.001231992564  0.006036056040
  30  Al  6.101715004911  3.950103154493  6.096433586375  -0.071474220724  0.361556053047  -0.146786425773  0.001157279788  -0.004100138952  0.000840179443
  31  Al  6.165212459847  6.035960145934  4.033394909713  -0.227636910003  0.151294256721  -0.124459396649  0.003716462603  -0.001461097638  -0.001377296418


MDSTEP:  47
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -74.973996871065  -0.209285683324  0.355101061589
  -0.209285683324  -75.902193892094  -1.665906398705
  0.355101061589  -1.665906398705  -68.620117021076
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.002012957922  8.069669660749  8.044250136943  0.305888595775  0.031039506535  -0.114694557760  -0.003722145325  -0.001331796593  -0.003115649253
  1  Al  8.058047431153  1.957567174573  1.928101710580  0.222858563579  0.184823299141  0.041614446171  -0.001241804636  -0.002648605369  -0.004496466144
  2  Al  1.967365789665  8.002408159091  1.977845273190  0.047098363694  0.310030669289  0.207354069587  -0.002453964483  -0.004090222378  -0.001600291321
  3  Al  1.960803308698  1.993053392816  8.071939449498  -0.013012540762  -0.041815384397  -0.133521960382  -0.002976991255  -0.001626469323  -0.002056979870
  4  Al  0.023897466599  8.024646660326  4.191961662681  0.171296764363  0.137897300863  -0.509095447230  0.001709956874  -0.003304042182  0.005308908943
  5  Al  0.013152636368  2.021049603372  6.128996885739  -0.003124845796  -0.081379063036  -0.206204459581  0.000576110081  -0.000427403990  0.002011351988
  6  Al  1.993993508337  8.094463793502  6.055409826198  0.011516040811  0.174583007444  0.130954337530  -0.001630421600  0.000555287292  -0.000588037075
  7  Al  2.016044528783  2.041900335259  4.112236442653  -0.051172829612  -0.122372827398  -0.065740125882  -0.000568928712  0.000400322902  0.002981597709
  8  Al  8.057653631511  4.136145877721  7.973820063904  0.000512607376  -0.239796378514  0.299796070223  -0.002009045158  0.003332028962  -0.005151985944
  9  Al  0.030348835914  6.062042662992  2.020113921484  -0.082576329175  -0.011996552745  0.087480497177  0.001297053842  -0.000644726493  0.000161448074
  10  Al  2.080002815541  3.958056362201  2.017973798299  -0.223596049143  0.411318309572  0.284669684783  0.002053195378  -0.002750500753  0.000509431305
  11  Al  2.042560719516  6.108026204845  0.116147473520  -0.130638572762  -0.049518513676  -0.078895606274  0.000329464860  0.001514372172  0.005681061803
  12  Al  8.055599445953  4.085681227201  3.974068456210  0.331168129347  -0.132138400996  0.231547154675  -0.001077494434  0.001513473528  -0.002755800325
  13  Al  0.007663960654  6.040653787655  5.989791322618  -0.073051831230  0.022156135966  0.247009797488  0.000196959099  -0.001529695264  -0.003401859835
  14  Al  2.002748328746  4.004387234382  6.108163459249  -0.079904641852  -0.080957483730  -0.230136972090  -0.001447837789  -0.002671983566  0.000906321823
  15  Al  2.108422047364  6.085103193807  3.949584798864  -0.360569752787  -0.156736349638  0.226330051936  0.002797055376  0.000026647913  -0.004476383724
  16  Al  4.161948447656  0.119377289492  0.004247635352  -0.043583784443  -0.209347696722  0.206804383812  0.005149200762  0.005258582921  0.000966895237
  17  Al  3.928168756549  1.925090227269  2.008010589969  0.365487130312  0.189169484700  0.036893934958  -0.004558065124  -0.004160742236  -0.000805921640
  18  Al  6.152864633525  7.998001635603  1.910021043491  -0.295635237768  0.208424031507  0.266909475443  0.002607905136  -0.004562586660  -0.004747932928
  19  Al  6.103899724631  2.130676282462  7.956345205278  -0.193193380897  -0.449860197195  0.383178613413  0.000585208252  0.003748743273  -0.006136567427
  20  Al  4.079610483221  0.115969217633  4.059757824786  -0.182573983515  -0.372574693662  -0.006272359445  0.000866648113  0.004317059398  0.000313958426
  21  Al  4.077989141870  1.993592630228  6.106669988406  0.013635307934  0.179246092126  0.110036852248  0.001440636833  -0.000974540354  0.002009725984
  22  Al  6.077177784131  0.020793861249  6.092917904110  -0.033926171454  0.186749885264  0.101571249275  0.000120480386  0.001856962076  0.001199602825
  23  Al  6.160320025587  2.043051558068  4.028398922395  -0.211367305729  -0.006292890408  0.210841190573  0.003302784752  0.000811563522  -0.000069548793
  24  Al  4.077675637499  4.033610844059  0.118674403647  0.099923311517  -0.053155354023  -0.486507538625  0.001701571155  -0.001065828567  0.004294157383
  25  Al  4.010861365067  6.185865386472  2.128274375594  0.225113868688  -0.160490185987  -0.313232524608  -0.001343417367  0.004685058515  0.004051999965
  26  Al  6.014747867018  4.139245683719  1.949653066128  0.167389226341  -0.134233565733  0.265484194619  -0.002578384421  0.004133190131  -0.002900117566
  27  Al  6.029412895704  6.121668396231  0.098864816221  0.003481147697  -0.198218698708  -0.467231026957  -0.002068256938  0.001620048322  0.003662376918
  28  Al  4.072969629735  4.098927821037  4.127910442743  -0.069631623576  -0.002464504854  -0.229598465964  0.000889577303  0.002295526905  0.002793271235
  29  Al  3.962625246640  6.105904441272  6.220241411496  0.386903741216  -0.069010378784  -0.220149458753  -0.002803121337  0.001228854891  0.006042003034
  30  Al  6.102290449933  3.948069246442  6.096847114796  -0.073204421356  0.381199902965  -0.158204638659  0.001152967109  -0.004064127235  0.000819037943
  31  Al  6.167060515861  6.035236359914  4.032700698214  -0.231509496794  0.155721494832  -0.118990861699  0.003703105783  -0.001444451759  -0.001409601203


MDSTEP:  48
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -74.567952396822  -0.204511287709  0.389237528056
  -0.204511287709  -75.560435036808  -1.696284561411
  0.389237528056  -1.696284561411  -68.090297618543
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.000165558369  8.069005149908  8.042687185511  0.310037135929  0.030570829818  -0.111234845499  -0.003695760542  -0.001336660957  -0.003160371174
  1  Al  8.057436490533  1.956251133423  1.925855337659  0.222460834116  0.190321835295  0.043042002466  -0.001211393631  -0.002635518886  -0.004524003490
  2  Al  1.966140912704  8.000376906161  1.977054396182  0.046661453317  0.329422632114  0.210592854075  -0.002464708180  -0.004064596357  -0.001575150089
  3  Al  1.959314231414  1.992238289022  8.070904991180  -0.012608388887  -0.041642555663  -0.124032671889  -0.003002581317  -0.001646708608  -0.002096271816
  4  Al  0.024760101939  8.023000803194  4.194593360769  0.169690902280  0.145944525257  -0.523651994239  0.001754052100  -0.003304307849  0.005257378514
  5  Al  0.013440551729  2.020832263762  6.129993344467  -0.005309519488  -0.081360402726  -0.211655659820  0.000579855646  -0.000445409087  0.001989433290
  6  Al  1.993178812300  8.094749240946  6.055121661272  0.021257625910  0.166778869375  0.136375342792  -0.001640219509  0.000590386103  -0.000568549854
  7  Al  2.015757777020  2.042095026688  4.113724302948  -0.049203852696  -0.122993200930  -0.076379392397  -0.000582421819  0.000381346546  0.002992110645
  8  Al  8.056649131845  4.137801173390  7.971257471709  -0.001123188676  -0.244051904337  0.309684194407  -0.002024811973  0.003314493233  -0.005137364002
  9  Al  0.030993671703  6.061719763503  2.020198555868  -0.089785581630  -0.013240763420  0.083412903846  0.001291667957  -0.000652042441  0.000178107911
  10  Al  2.081019418567  3.956699497605  2.018241238584  -0.228844077230  0.407846305982  0.288572271875  0.002028488314  -0.002698205687  0.000565063530
  11  Al  2.042719612449  6.108781177471  0.118984477816  -0.127253504033  -0.055009748475  -0.095855230373  0.000308805780  0.001516797537  0.005709745955
  12  Al  8.055075501833  4.086432057426  3.972700906122  0.333750127786  -0.140998956101  0.231510630066  -0.001026012923  0.001500700450  -0.002735631371
  13  Al  0.007759174813  6.039889930394  5.988101433950  -0.077155252935  0.020848960936  0.257856475957  0.000184966001  -0.001537783604  -0.003382976531
  14  Al  2.002020838143  4.003047623828  6.108606333121  -0.073639600879  -0.071578848522  -0.233931985036  -0.001472994746  -0.002706623185  0.000871597858
  15  Al  2.109804457714  6.085109511705  3.947356723874  -0.363116290078  -0.161559640970  0.244238570749  0.002753726862  -0.000001821655  -0.004468993934
  16  Al  4.164521099858  0.121997223185  0.004740327052  -0.043522497287  -0.222385867155  0.205525197249  0.005181622115  0.005260809323  0.001011607120
  17  Al  3.925906061130  1.923018311959  2.007609278295  0.372019873673  0.194865058209  0.040520646151  -0.004527263397  -0.004158680546  -0.000805249444
  18  Al  6.154155371305  7.995729658753  1.907659007785  -0.297748360252  0.225366237968  0.274944104153  0.002574837412  -0.004559184695  -0.004736244135
  19  Al  6.104183693083  2.132530545510  7.953294049511  -0.192682398775  -0.460732114037  0.408366856870  0.000555018090  0.003696017504  -0.006113241648
  20  Al  4.080035646286  0.118111093378  4.059914523627  -0.184224884022  -0.378689616884  -0.001892198650  0.000840377761  0.004283133366  0.000315678134
  21  Al  4.078710069779  1.993113372287  6.107679770006  0.013064796739  0.184358563158  0.106366793064  0.001454309017  -0.000949401569  0.002044940740
  22  Al  6.077236507836  0.021730689939  6.093522245720  -0.041219322017  0.178904887413  0.102699956803  0.000114652116  0.001904429429  0.001227388872
  23  Al  6.161961969921  2.043457058539  4.028373572524  -0.215521211746  -0.004496102158  0.204128827644  0.003290152302  0.000816938309  -0.000032704554
  24  Al  4.078530889612  4.033075553750  0.120799735627  0.100056152297  -0.048590659501  -0.500442718276  0.001732896183  -0.001083331070  0.004238817312
  25  Al  4.010199718893  6.188200741876  2.130286374196  0.237314972740  -0.163171108296  -0.324116184864  -0.001312259493  0.004692536793  0.004026264644
  26  Al  6.013466157045  4.141306278593  1.948214874392  0.175915025296  -0.147706349544  0.273744510576  -0.002567617586  0.004140111535  -0.002874214370
  27  Al  6.028378922841  6.122469560087  0.100675119621  -0.000672969997  -0.204035309298  -0.489654121717  -0.002084178796  0.001596475508  0.003604804806
  28  Al  4.073411305878  4.100075474327  4.129296815391  -0.069238590981  -0.002841803189  -0.228670665089  0.000884022283  0.002313001058  0.002773826774
  29  Al  3.961240980430  6.106515783979  6.223252572411  0.391948454603  -0.070946636401  -0.219456676696  -0.002754869879  0.001225855283  0.006049646892
  30  Al  6.102863661276  3.946054222323  6.097249562077  -0.080089040015  0.402566225602  -0.167708883989  0.001148172426  -0.004025294777  0.000796078959
  31  Al  6.168901720361  6.034521094730  4.031990578763  -0.241218823061  0.158236656479  -0.112898910209  0.003689473963  -0.001427461004  -0.001441517940


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)
  -74.154668505439  -0.200777984405  0.424980298456
  -0.200777984405  -75.209701980350  -1.724594659652
  0.424980298456  -1.724594659652  -67.553003588619
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.998331536647  8.068338185934  8.041102027767  0.317541610868  0.030321531854  -0.108216448586  -0.003669186962  -0.001342018481  -0.003205791826
  1  Al  8.056840737637  1.954941881298  1.923595259876  0.225203239441  0.193702658444  0.047097852591  -0.001180877092  -0.002622292938  -0.004552586616
  2  Al  1.964910644364  7.998359333056  1.976276234562  0.042581747041  0.349487699306  0.215781480069  -0.002476663365  -0.004036389203  -0.001549503736
  3  Al  1.957812377165  1.991413073311  8.069851311056  -0.015408208783  -0.043272421076  -0.115035090992  -0.003029468707  -0.001667722638  -0.002134826486
  4  Al  0.025644713112  8.021355172938  4.197198642970  0.170719865194  0.154926753019  -0.537878631701  0.001798963564  -0.003304002488  0.005204365859
  5  Al  0.013730242219  2.020605922438  6.130978600180  -0.004129821978  -0.083129532208  -0.219743928609  0.000583709772  -0.000463847654  0.001966695456
  6  Al  1.992359652754  8.095051888953  6.054843482274  0.027962498809  0.159131418274  0.139807773968  -0.001649092008  0.000624548940  -0.000548272058
  7  Al  2.015464366716  2.042280202209  4.115216944139  -0.051103499882  -0.125353023674  -0.086284065238  -0.000596187649  0.000362058606  0.003001728104
  8  Al  8.055636675652  4.139447510974  7.968702632480  0.001037352524  -0.248349164052  0.318859815201  -0.002041248669  0.003297008959  -0.005122400338
  9  Al  0.031635492298  6.061393150426  2.020291338350  -0.093716427478  -0.012501048737  0.081227175427  0.001285610263  -0.000659652967  0.000194391176
  10  Al  2.082023433476  3.955368625345  2.018536669425  -0.237941838135  0.403776711201  0.294206804967  0.002002878185  -0.002646951201  0.000622171114
  11  Al  2.042868327153  6.109537117323  0.121835066100  -0.127052406256  -0.058906642552  -0.113488497949  0.000288392143  0.001518837883  0.005737206774
  12  Al  8.054577413882  4.087176105048  3.971343438878  0.339880024556  -0.150685939849  0.232214796486  -0.000973627125  0.001486588864  -0.002716034699
  13  Al  0.007848209002  6.039121970533  5.986421471776  -0.078029925552  0.021572460936  0.266798796341  0.000172480772  -0.001546437687  -0.003363141020
  14  Al  2.001281049107  4.001691112687  6.109031675374  -0.070840363834  -0.062593956103  -0.239873750787  -0.001497967566  -0.002740676514  0.000835968269
  15  Al  2.111165089977  6.085101379220  3.945133144283  -0.369610509147  -0.164568228739  0.263329242619  0.002710033359  -0.000031228596  -0.004459510173
  16  Al  4.167109965475  0.124617687279  0.005255317514  -0.046476729951  -0.235561797744  0.203125840627  0.005215553714  0.005262222208  0.001056644650
  17  Al  3.923659058586  1.920947682084  2.007208464831  0.374972018859  0.198644440611  0.046240194013  -0.004496674413  -0.004156958424  -0.000803963803
  18  Al  6.155429480766  7.993460140195  1.905303175620  -0.295654577939  0.243494405839  0.285317905945  0.002542248947  -0.004553921196  -0.004724179748
  19  Al  6.104452589294  2.134357959702  7.950255682539  -0.188678162558  -0.473832625388  0.432994694468  0.000525151420  0.003641779003  -0.006087015973
  20  Al  4.080447600381  0.120235732771  4.060072278113  -0.188920950492  -0.384278762928  0.003545496364  0.000813566797  0.004249123680  0.000318388493
  21  Al  4.079437808280  1.992646912264  6.108706994933  0.008898834972  0.187389863649  0.100593422970  0.001468088483  -0.000923601146  0.002080185238
  22  Al  6.077291991405  0.022690901638  6.094140530808  -0.045108191387  0.170982396443  0.101650328654  0.000107802146  0.001951415095  0.001255764682
  23  Al  6.163597412351  2.043865326719  4.028366344732  -0.215398084125  -0.004974469617  0.197664985350  0.003278011554  0.000822713267  0.000003241614
  24  Al  4.079401810178  4.032531716231  0.122896774673  0.096557359461  -0.044095042107  -0.514905502514  0.001764676314  -0.001100474289  0.004181702408
  25  Al  4.009554197040  6.190539716583  2.132285018641  0.245916445581  -0.163896532159  -0.333520733791  -0.001279355868  0.004701134334  0.003999663732
  26  Al  6.012190211591  4.143369731939  1.946790003489  0.187939836110  -0.161765956658  0.284134907351  -0.002555658480  0.004145812570  -0.002847256540
  27  Al  6.027336803361  6.123258677536  0.102455634661  -0.001612438494  -0.207723317237  -0.513106083128  -0.002101295419  0.001572319420  0.003543680130
  28  Al  4.073850222079  4.101231847828  4.130673507282  -0.072357366755  -0.003864911012  -0.226988404470  0.000878433794  0.002331163891  0.002755266990
  29  Al  3.959881065445  6.107125540331  6.226267586223  0.393170716155  -0.070705232034  -0.220358923082  -0.002706463806  0.001223035327  0.006059094409
  30  Al  6.103434167538  3.944059569500  6.097640105029  -0.083533162304  0.423549842269  -0.179403055694  0.001142742096  -0.003983501871  0.000771254858
  31  Al  6.170735674948  6.033814437349  4.031264773253  -0.246808884523  0.163078422027  -0.105788396871  0.003675426363  -0.001410084757  -0.001472923274


MDSTEP:  50
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -73.728486059145  -0.194916995890  0.463435327153
  -0.194916995890  -74.850122915553  -1.749045401780
  0.463435327153  -1.749045401780  -67.013871437298
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.996511137161  8.067668532055  8.039494294617  0.322916939972  0.030116004277  -0.104205414500  -0.003642319570  -0.001347861083  -0.003251914040
  1  Al  8.056260365595  1.953639393268  1.921321071825  0.225479664112  0.198643038700  0.049364216110  -0.001150182740  -0.002608985187  -0.004582193816
  2  Al  1.963674216070  7.996356760429  1.975511128049  0.040565307456  0.370020361301  0.219531804207  -0.002490005058  -0.004005484856  -0.001523296434
  3  Al  1.956296954070  1.990577277730  8.068778755786  -0.016061636050  -0.043688783001  -0.104629286716  -0.003057794332  -0.001689593776  -0.002172591007
  4  Al  0.026551826010  8.019710096864  4.199776782918  0.169627016839  0.163930210548  -0.552715458990  0.001844781989  -0.003303055447  0.005149834395
  5  Al  0.014021912503  2.020370282751  6.131952125434  -0.005515112973  -0.083353039087  -0.226044078815  0.000587751336  -0.000482758902  0.001943053905
  6  Al  1.991536356663  8.095371276540  6.054575595603  0.036979760979  0.150904062443  0.144790360919  -0.001657112080  0.000657753758  -0.000527228037
  7  Al  2.015163988584  2.042455628278  4.116713951324  -0.050299864394  -0.126352186124  -0.097425714049  -0.000610345361  0.000342413214  0.003010421578
  8  Al  8.054616097687  4.141084914335  7.966155685230  0.000600893657  -0.252864554274  0.328912132273  -0.002058275117  0.003279563353  -0.005107100310
  9  Al  0.032274108339  6.061062765150  2.020392164764  -0.099968408096  -0.013273173627  0.077296777928  0.001278965836  -0.000667526571  0.000210317859
  10  Al  2.083014236654  3.954063198418  2.018860905921  -0.244547098982  0.399060063231  0.298402515393  0.001976232417  -0.002596844550  0.000680830365
  11  Al  2.043006844028  6.110293903159  0.124698596592  -0.124936424897  -0.064059468901  -0.131248354851  0.000268101386  0.001520531123  0.005763413644
  12  Al  8.054105792834  4.087912663873  3.969995801447  0.343250447691  -0.160424767280  0.231875485486  -0.000920233582  0.001471049267  -0.002697047771
  13  Al  0.007930961478  6.038349715971  5.984751827076  -0.081064265762  0.020791076520  0.277482745863  0.000159589376  -0.001555629577  -0.003342369193
  14  Al  2.000528898785  4.000317976503  6.109438937238  -0.065662861374  -0.053077266646  -0.244370399510  -0.001522876748  -0.002774163249  0.000799346417
  15  Al  2.112503585200  6.085078408782  3.942915159919  -0.373480404162  -0.168928719165  0.281957496256  0.002665843628  -0.000061556571  -0.004447872078
  16  Al  4.169715664839  0.127238268855  0.005792719491  -0.047659654178  -0.248408794447  0.201404008863  0.005250948482  0.005262865506  0.001102003729
  17  Al  3.921427482493  1.918878082207  2.006808549850  0.380173505895  0.204030438329  0.050703122952  -0.004466429928  -0.004155631461  -0.000801988409
  18  Al  6.156687389586  7.991194063709  1.902953839354  -0.295711642011  0.262111989553  0.294313354702  0.002510325755  -0.004546654672  -0.004711672254
  19  Al  6.104706731158  2.136157669056  7.947231529259  -0.186368542934  -0.485439357514  0.459320536730  0.000495758803  0.003585939521  -0.006057785851
  20  Al  4.080845939081  0.122343117488  4.060231630842  -0.191498035329  -0.389583110652  0.008276678747  0.000786116457  0.004215109109  0.000322133055
  21  Al  4.080172250296  1.992193487950  6.109751584042  0.006789267674  0.191807620664  0.095824540305  0.001481854618  -0.000897186705  0.002115394334
  22  Al  6.077343876158  0.023674252037  6.094772956882  -0.051274190616  0.162743604488  0.101907181675  0.000100020133  0.001997919296  0.001284681119
  23  Al  6.165226789911  2.044276460996  4.028376801093  -0.217797116903  -0.003724381606  0.190053843133  0.003266538080  0.000828850989  0.000038222300
  24  Al  4.080288464414  4.031979508054  0.124964609787  0.095172744243  -0.039803421767  -0.528526744534  0.001796808245  -0.001117296747  0.004122818427
  25  Al  4.008925511483  6.192882957634  2.134269942250  0.257092908676  -0.165958408466  -0.343997008632  -0.001244772766  0.004710950642  0.003972235882
  26  Al  6.010920783194  4.145435407344  1.945379075947  0.198107735144  -0.176380438571  0.293307142621  -0.002542357883  0.004150209167  -0.002819154827
  27  Al  6.026286083577  6.124035552089  0.104204539068  -0.004307924013  -0.213119821512  -0.536369489746  -0.002119508493  0.001547608584  0.003478883304
  28  Al  4.074286204628  4.102397257014  4.132040994477  -0.073114299244  -0.005030820321  -0.225953077232  0.000872710056  0.002349975282  0.002737615225
  29  Al  3.958545408132  6.107733897496  6.229287283463  0.396588259781  -0.071944015617  -0.220167594591  -0.002658036849  0.001220465354  0.006070358774
  30  Al  6.104001804684  3.942086751090  6.098017713206  -0.089001412505  0.445168193780  -0.189982954216  0.001136802368  -0.003938701059  0.000744443163
  31  Al  6.172562355861  6.033116684518  4.030523582913  -0.255075557699  0.166087864745  -0.099088367779  0.003661104122  -0.001392273752  -0.001503785717


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)
  -73.295517650150  -0.189688561345  0.503884531961
  -0.189688561345  -74.481132119496  -1.771266069008
  0.503884531961  -1.771266069008  -66.468407090963
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.994704411648  8.066995947688  8.037863679653  0.331490815817  0.029644017867  -0.100592144296  -0.003615064160  -0.001354224330  -0.003298736671
  1  Al  8.055695353084  1.952343779947  1.919032181480  0.228821952196  0.201722228328  0.054220776169  -0.001119243103  -0.002595629122  -0.004612805923
  2  Al  1.962431026796  7.994370557778  1.974759292824  0.035040123482  0.390874329775  0.225047224792  -0.002504898019  -0.003971793112  -0.001496486838
  3  Al  1.954767338955  1.989730527969  8.067687783391  -0.019794634285  -0.045534553102  -0.094741943732  -0.003087689467  -0.001712371811  -0.002209513415
  4  Al  0.027481799271  8.018065896762  4.202326993934  0.170979439142  0.173318717385  -0.567258586672  0.001891582570  -0.003301442905  0.005093739180
  5  Al  0.014315541648  2.020125177449  6.132913548298  -0.003431250857  -0.085242489981  -0.234790183236  0.000592069313  -0.000502171934  0.001918438401
  6  Al  1.990709453605  8.095706898777  6.054318453661  0.042779808249  0.142680114805  0.148129346711  -0.001664368228  0.000689963936  -0.000505409927
  7  Al  2.014856567517  2.042621186988  4.118214807219  -0.053495579249  -0.128787073321  -0.107958888563  -0.000625027258  0.000322390654  0.003018148852
  8  Al  8.053586986989  4.142713393057  7.963616837329  0.004085517768  -0.256923497432  0.338362052102  -0.002075799109  0.003262186611  -0.005091456405
  9  Al  0.032909122705  6.060728408558  2.020500778832  -0.103209392061  -0.012247700759  0.075110513633  0.001271795128  -0.000675648340  0.000225895575
  10  Al  2.083991421695  3.952782613984  2.019214659588  -0.254843683987  0.394218507395  0.303951145319  0.001948429224  -0.002547950187  0.000741086208
  11  Al  2.043135310108  6.111051305286  0.127574436659  -0.125794153480  -0.068236927713  -0.149607815675  0.000247828452  0.001521858680  0.005788338999
  12  Al  8.053661019215  4.088641017577  3.968657642312  0.350103278148  -0.170469141157  0.232161029187  -0.000865731535  0.001454036100  -0.002678717750
  13  Al  0.008007132623  6.037572830536  5.983093045858  -0.080757118423  0.021823270275  0.286272346629  0.000146388021  -0.001565350584  -0.003320673388
  14  Al  1.999764525305  3.998928522344  6.109827687178  -0.063895146071  -0.043512524368  -0.250543378401  -0.001547838467  -0.002807062209  0.000761685396
  15  Al  2.113819812574  6.085040079443  3.940703827279  -0.381323022042  -0.171843521780  0.301514804817  0.002621020526  -0.000092823721  -0.004434037351
  16  Al  4.172339008710  0.129858597825  0.006352724042  -0.051813767477  -0.262057181110  0.198694440647  0.005287762401  0.005262720529  0.001147692758
  17  Al  3.919211261148  1.916809386563  2.006409822057  0.381590883504  0.207781208099  0.056880544518  -0.004436678849  -0.004154728764  -0.000799279379
  18  Al  6.157929334260  7.988932452685  1.900611158928  -0.291581020544  0.281103129986  0.305536925062  0.002479252570  -0.004537311598  -0.004698660719
  19  Al  6.104946279952  2.137928939852  7.944223167796  -0.180644157193  -0.498887768933  0.485073141718  0.000466984690  0.003528440796  -0.006025440911
  20  Al  4.081230437416  0.124433257818  4.060393067334  -0.196888377695  -0.394934858932  0.013842270309  0.000757946589  0.004181114813  0.000326936472
  21  Al  4.080913481082  1.991753468330  6.110813564532  0.001270754923  0.194529709658  0.089225886038  0.001495502115  -0.000870170069  0.002150526598
  22  Al  6.077391594286  0.024680486266  6.095419852656  -0.054012692482  0.154125676554  0.100084873677  0.000091397591  0.002043914529  0.001314097966
  23  Al  6.166850323498  2.044690720012  4.028404407582  -0.215823863365  -0.004416322061  0.182740257728  0.003255916420  0.000835343826  0.000072173685
  24  Al  4.081191122724  4.031419080481  0.127002394045  0.090017066408  -0.035030060572  -0.542613114220  0.001829175248  -0.001133787124  0.004062172215
  25  Al  4.008314617060  6.195231014674  2.136240683649  0.264840826870  -0.166260406316  -0.353287189833  -0.001208558902  0.004722067494  0.003943990549
  26  Al  6.009658459597  4.147502627786  1.943982609257  0.211752716892  -0.191103239837  0.304256064835  -0.002527564613  0.004153256633  -0.002789848214
  27  Al  6.025226136768  6.124799830001  0.105920005197  -0.003995488307  -0.216579757559  -0.560149493970  -0.002138737800  0.001522352782  0.003410333805
  28  Al  4.074719291473  4.103572019779  4.133399702068  -0.077270462398  -0.006232408936  -0.224146014957  0.000866757916  0.002369449590  0.002720895781
  29  Al  3.957234117060  6.108340914302  6.232312621438  0.396239908619  -0.071423379829  -0.221117034222  -0.002609716653  0.001218178196  0.006083493218
  30  Al  6.104566227536  3.940137299419  6.098381442618  -0.091210454688  0.466541764035  -0.202585895116  0.001130463142  -0.003890826675  0.000715532768
  31  Al  6.174381506137  6.032427971709  4.029767260840  -0.259228827415  0.171360139532  -0.091711960998  0.003646646850  -0.001373982682  -0.001534103734


MDSTEP:  52
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -72.850795702917  -0.182662610502  0.548199745084
  -0.182662610502  -74.104061130270  -1.789777874232
  0.548199745084  -1.789777874232  -65.922453399736
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.992911697088  8.066320160600  8.036209814884  0.336055015818  0.029012433057  -0.096979620673  -0.003587492149  -0.001361162147  -0.003346347437
  1  Al  8.055145959792  1.951054982297  1.916728202168  0.228148286935  0.206913569068  0.056159608221  -0.001088128451  -0.002582206723  -0.004644503782
  2  Al  1.961180144067  7.992402133164  1.974021108935  0.034350199735  0.411515398155  0.228483188661  -0.002521258468  -0.003935278654  -0.001469089095
  3  Al  1.953222609409  1.988872306686  8.066578791753  -0.018944669708  -0.045544113081  -0.084606224300  -0.003119066685  -0.001736050891  -0.002245644309
  4  Al  0.028435233276  8.016422922593  4.204848507269  0.168773176191  0.182097856862  -0.581011513649  0.001939311998  -0.003299194922  0.005036155516
  5  Al  0.014611422928  2.019870281174  6.133862272461  -0.005645057034  -0.085144909873  -0.240933647340  0.000596597117  -0.000522076748  0.001892849003
  6  Al  1.989879181733  8.096058258494  6.054072370026  0.053604912073  0.133581867194  0.153520182810  -0.001670703391  0.000721115147  -0.000482763144
  7  Al  2.014541662655  2.042776625579  4.119719055921  -0.051075770707  -0.129494405851  -0.118436404902  -0.000640104449  0.000302003240  0.003024981215
  8  Al  8.052549270055  4.144333001975  7.961086233788  0.003316498839  -0.261190847194  0.347638548805  -0.002093876431  0.003244907722  -0.005075551877
  9  Al  0.033540406847  6.060390036920  2.020617084032  -0.110272327885  -0.013144196992  0.070709614368  0.001264022329  -0.000684040145  0.000241089408
  10  Al  2.084954244886  3.951526260316  2.019598789199  -0.259947060838  0.389181661174  0.307399188004  0.001919586559  -0.002500291022  0.000802926241
  11  Al  2.043253601380  6.111809184460  0.130461918744  -0.121825397019  -0.074080296842  -0.169078221809  0.000227729497  0.001522763529  0.005811861702
  12  Al  8.053243802937  4.089360415718  3.967328660952  0.352429170720  -0.179927804951  0.232506335342  -0.000810176278  0.001435558333  -0.002660991248
  13  Al  0.008076716819  6.036791130737  5.981445505435  -0.084102782454  0.020832279162  0.297267249904  0.000132838497  -0.001575638315  -0.003298020863
  14  Al  1.998987749981  3.997523046245  6.110197330677  -0.057158710851  -0.033099094117  -0.254535604589  -0.001572735725  -0.002839321619  0.000723002176
  15  Al  2.115113277836  6.084985986239  3.938500286207  -0.383919754841  -0.176497917708  0.321488307829  0.002575659123  -0.000125084634  -0.004417878938
  16  Al  4.174980573854  0.132478244227  0.006935451991  -0.052686906243  -0.275825746293  0.195500135726  0.005326085690  0.005261723751  0.001193615681
  17  Al  3.917009978699  1.914741309926  2.006012724907  0.387074566180  0.213392364722  0.061260699448  -0.004407404588  -0.004154254471  -0.000795839973
  18  Al  6.159155926978  7.986676362094  1.898275485959  -0.292477830356  0.299966852354  0.314461387998  0.002448954945  -0.004525868424  -0.004685162980
  19  Al  6.105171697568  2.139670860146  7.941232129936  -0.179288092518  -0.510275974299  0.511123023091  0.000438733432  0.003469270368  -0.005989988837
  20  Al  4.081600609871  0.126506161779  4.060557154314  -0.198682666863  -0.399947175045  0.019785799486  0.000729107942  0.004147167830  0.000332922271
  21  Al  4.081661288942  1.991327078703  6.111892816196  -0.000364865338  0.199032998678  0.084249872992  0.001509088625  -0.000842525996  0.002185595095
  22  Al  6.077434878734  0.025709332893  6.096081375397  -0.061784303971  0.145280082517  0.100284302955  0.000081777285  0.002089380005  0.001344039247
  23  Al  6.168468634459  2.045108194517  4.028448662848  -0.219436913382  -0.003009381746  0.175750997222  0.003246054847  0.000842217361  0.000105163703
  24  Al  4.082109734078  4.030850621088  0.129009225541  0.088613548942  -0.030123020536  -0.557119188024  0.001861806856  -0.001149902768  0.003999651648
  25  Al  4.007722175899  6.197584616640  2.138196887113  0.276892707967  -0.168299736288  -0.364355186371  -0.001170604589  0.004734529525  0.003914869795
  26  Al  6.008404142561  4.149570713856  1.942601285287  0.220955550033  -0.205737271811  0.313300704975  -0.002511356078  0.004154964048  -0.002759333620
  27  Al  6.024156589271  6.125551325355  0.107600133619  -0.008287072228  -0.222129020848  -0.584684095213  -0.002159159154  0.001496525625  0.003337858527
  28  Al  4.075149216469  4.104756465987  4.134750130712  -0.077446747384  -0.007390297172  -0.221896331189  0.000860628466  0.002389617508  0.002705230257
  29  Al  3.955946970515  6.108946810800  6.235344484195  0.399771733881  -0.072729480756  -0.220062870494  -0.002561477619  0.001216175141  0.006098631491
  30  Al  6.105127382033  3.938212740330  6.098730153486  -0.098120372748  0.488645165194  -0.213292591612  0.001123592646  -0.003839797756  0.000684479248
  31  Al  6.176193242126  6.031748640105  4.028996109481  -0.268518064946  0.174138163266  -0.083897647671  0.003631970824  -0.001355223900  -0.001563798252


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)
  -72.400505031682  -0.176495983568  0.593790403654
  -0.176495983568  -73.717975683474  -1.805144539404
  0.593790403654  -1.805144539404  -65.368997474658
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.991132972551  8.065640876372  8.034532306212  0.344674655035  0.028192467776  -0.091551505903  -0.003559596234  -0.001368722039  -0.003394635321
  1  Al  8.054612093712  1.949773127898  1.914408460591  0.231189455421  0.210801057033  0.061047896880  -0.001056850113  -0.002568648273  -0.004677336291
  2  Al  1.959921050274  7.990452888427  1.973296777504  0.029154963598  0.432413369434  0.234307028241  -0.002539092411  -0.003895906997  -0.001441059778
  3  Al  1.951662229246  1.988002245435  8.065452187731  -0.022224916823  -0.046674951010  -0.072567692642  -0.003151933203  -0.001760597833  -0.002280815231
  4  Al  0.029412433375  8.014781464841  4.207340614022  0.169745200682  0.191159414896  -0.596817880153  0.001987983447  -0.003296349227  0.004976943467
  5  Al  0.014909469155  2.019605436853  6.134797927316  -0.003948743483  -0.086139321756  -0.249772265736  0.000601307370  -0.000542412013  0.001866261285
  6  Al  1.989046226158  8.096424787129  6.053837850751  0.060165294735  0.124413904277  0.156657136591  -0.001676052173  0.000751135076  -0.000459286374
  7  Al  2.014219327362  2.042921838845  4.121226252464  -0.053397110236  -0.131197445937  -0.130793819385  -0.000655514120  0.000281302354  0.003030764208
  8  Al  8.051502480086  4.145943780699  7.958563997168  0.006865280307  -0.265072879990  0.358483564879  -0.002112527579  0.003227748134  -0.005059272462
  9  Al  0.034167488878  6.060047429307  2.020740789430  -0.113718752719  -0.012834493023  0.068469898243  0.001255624405  -0.000692777540  0.000255901531
  10  Al  2.085902418625  3.950293511085  2.020013992953  -0.269706621977  0.383971079859  0.312874445740  0.001889734292  -0.002453894070  0.000866400878
  11  Al  2.043362020577  6.112567254862  0.133360291859  -0.122257159957  -0.079166184490  -0.186738830788  0.000207833167  0.001523167493  0.005834073742
  12  Al  8.052854468256  4.090070152176  3.966008558277  0.358641774316  -0.189720466249  0.231122328749  -0.000753585025  0.001415620276  -0.002644026093
  13  Al  0.008139376703  6.036004242774  5.979809782743  -0.083723237312  0.021179436606  0.305915739228  0.000118936287  -0.001586573710  -0.003274416888
  14  Al  1.998198827145  3.996101905918  6.110547454115  -0.054903641895  -0.022702326507  -0.260794531018  -0.001597546839  -0.002870893869  0.000683258810
  15  Al  2.116383946322  6.084915554528  3.936305717149  -0.391211527543  -0.180049310902  0.339939056523  0.002529788047  -0.000158426685  -0.004399485768
  16  Al  4.177641261613  0.135096776791  0.007540998618  -0.057087693754  -0.289880829125  0.193855265518  0.005365959143  0.005259854718  0.001239904934
  17  Al  3.914823578498  1.912673721253  2.005617543252  0.388156984178  0.217924912670  0.068024091178  -0.004378644421  -0.004154161344  -0.000791612104
  18  Al  6.160367330797  7.984426836293  1.895946960780  -0.288217167303  0.319327312537  0.326247241831  0.002419444585  -0.004512286433  -0.004671137466
  19  Al  6.105383050171  2.141382686177  7.938259982533  -0.173310007538  -0.522933532982  0.539010155391  0.000411017316  0.003408463565  -0.005951214202
  20  Al  4.081956282798  0.128561868199  4.060724499868  -0.203976194710  -0.405104015119  0.024096748784  0.000699588516  0.004113284655  0.000339993581
  21  Al  4.082415816945  1.990914712408  6.112989379683  -0.006139540209  0.202282071066  0.076794581164  0.001522606025  -0.000814187861  0.002220554039
  22  Al  6.077473005640  0.026760516863  6.096757877693  -0.064989533355  0.135937086130  0.097853066987  0.000071102181  0.002134283463  0.001374479870
  23  Al  6.170081853132  2.045529168679  4.028509100706  -0.217913887682  -0.002842899245  0.166597482226  0.003236929023  0.000849560858  0.000137038346
  24  Al  4.083044598500  4.030274323216  0.130984148338  0.083005924382  -0.025010622982  -0.569501662857  0.001894693828  -0.001165625025  0.003935372965
  25  Al  4.007149250609  6.199944358465  2.140138035464  0.284810042910  -0.169152849105  -0.373288022106  -0.001130860204  0.004748329661  0.003884898050
  26  Al  6.007158341155  4.151638999498  1.941235622906  0.234522091827  -0.220529430391  0.324972055925  -0.002493727901  0.004155333291  -0.002727528617
  27  Al  6.023076639265  6.126289659080  0.109242927713  -0.008154374598  -0.226442048277  -0.607515266503  -0.002180822793  0.001470035798  0.003261477092
  28  Al  4.075576068860  4.105950944398  4.136092827155  -0.081431572603  -0.008549252443  -0.221535546300  0.000854335759  0.002410513176  0.002690501025
  29  Al  3.954684101358  6.109551647389  6.238383963210  0.398937504769  -0.072817953796  -0.221089803158  -0.002513346446  0.001214408374  0.006115823509
  30  Al  6.105684792410  3.936314683715  6.099062859008  -0.100526972392  0.510787104772  -0.226626991059  0.001116169118  -0.003785501878  0.000651180497
  31  Al  6.177997224877  6.031078812068  4.028210460160  -0.273030516071  0.178431596273  -0.077673966471  0.003617049599  -0.001336076094  -0.001592993293


MDSTEP:  54
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -71.940011658029  -0.168326461242  0.643827598027
  -0.168326461242  -73.322570072579  -1.816995378180
  0.643827598027  -1.816995378180  -64.815388892790
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.989368581268  8.064957775546  8.032830896232  0.349880041365  0.027894496655  -0.087519113012  -0.003531311234  -0.001376889825  -0.003443612191
  1  Al  8.054094002741  1.948498226493  1.912072521265  0.230623731813  0.215354188793  0.063533512491  -0.001025381029  -0.002555011193  -0.004711303375
  2  Al  1.958652807285  7.988524263651  1.972586721055  0.026784890220  0.453973869170  0.237839169599  -0.002558586550  -0.003853557391  -0.001412371862
  3  Al  1.950085269199  1.987119860165  8.064308536366  -0.022436115487  -0.047291787881  -0.061982143774  -0.003186431787  -0.001786097946  -0.002315007056
  4  Al  0.030414012648  8.013141834985  4.209802408211  0.167394341510  0.200748293799  -0.610592030236  0.002037631134  -0.003292837576  0.004916066804
  5  Al  0.015209946333  2.019330380450  6.135719893228  -0.005940692205  -0.086445642065  -0.256323624857  0.000606227094  -0.000563233206  0.001838619051
  6  Al  1.988210889439  8.096805915924  6.053615210081  0.069853254657  0.115493002346  0.162165752050  -0.001680517365  0.000780050546  -0.000434947895
  7  Al  2.013889183471  2.043056625544  4.122735788131  -0.052504231544  -0.132365446199  -0.141393882318  -0.000671409492  0.000260231397  0.003035491689
  8  Al  8.050446523172  4.147545806104  7.956050385023  0.006837084357  -0.269618203024  0.367726793329  -0.002131710944  0.003210685251  -0.005042626335
  9  Al  0.034790217893  6.059700466839  2.020871800776  -0.120487641012  -0.013047652429  0.063924284484  0.001246621292  -0.000701810302  0.000270325489
  10  Al  2.086835229982  3.949083727419  2.020461178767  -0.276173861725  0.377893801190  0.315977086744  0.001858727859  -0.002408845445  0.000931538012
  11  Al  2.043460472310  6.113325299908  0.136268981572  -0.119573901571  -0.084856383627  -0.206833711173  0.000188013629  0.001523085547  0.005854942058
  12  Al  8.052493706901  4.090769481878  3.964696876316  0.361094323892  -0.199946786395  0.231365704280  -0.000695903503  0.001394131289  -0.002627838111
  13  Al  0.008195102448  6.035211902633  5.978186248622  -0.086546215888  0.020740918483  0.316884120489  0.000104716847  -0.001598126029  -0.003249852115
  14  Al  1.997397599552  3.994665444197  6.110877426099  -0.049484563835  -0.012502889620  -0.264786794126  -0.001622411539  -0.002901822347  0.000642422575
  15  Al  2.117631353331  6.084828293047  3.934121169419  -0.395414882418  -0.184144814959  0.360229134056  0.002483237970  -0.000192831487  -0.004378812644
  16  Al  4.180321689386  0.137713746581  0.008169616345  -0.058786446021  -0.303409608384  0.190179245498  0.005407368565  0.005257145275  0.001286554420
  17  Al  3.912651606765  1.910606381746  2.005224777853  0.392665758275  0.223185667618  0.072548278588  -0.004350489683  -0.004154500286  -0.000786575467
  18  Al  6.161564169885  7.982184966892  1.893625975182  -0.286920074497  0.339320958168  0.335776171240  0.002390917641  -0.004496451397  -0.004656533269
  19  Al  6.105580811934  2.143063543019  7.935308468992  -0.170087617756  -0.534903084610  0.565562236493  0.000383994057  0.003345926607  -0.005909037536
  20  Al  4.082296959393  0.130600402522  4.060895573774  -0.205954312334  -0.409409536855  0.030318259525  0.000669349167  0.004079523838  0.000348191724
  21  Al  4.083176845523  1.990516660414  6.114103089392  -0.008631256224  0.206193684609  0.071361553655  0.001535990629  -0.000785187567  0.002255391517
  22  Al  6.077505651722  0.027833734933  6.097449491625  -0.071262513181  0.127169906201  0.097419120543  0.000059490893  0.002178662888  0.001405391853
  23  Al  6.171690576971  2.045953822032  4.028585066726  -0.219499429759  -0.001969554961  0.159244224027  0.003228735510  0.000857338524  0.000167774582
  24  Al  4.083995655749  4.029690392737  0.132926378301  0.080516077818  -0.020535993093  -0.583789430780  0.001927768441  -0.001181003424  0.003869313188
  25  Al  4.006596551413  6.202310962224  2.142063798649  0.296433172950  -0.170367500445  -0.384353687286  -0.001089326355  0.004763581856  0.003854063043
  26  Al  6.005921960258  4.153706808558  1.939886384731  0.245469737896  -0.236030935008  0.334345655215  -0.002474507148  0.004154289011  -0.002694381267
  27  Al  6.021985863371  6.127014555101  0.110846510546  -0.010834443118  -0.231508665203  -0.632352871405  -0.002203617133  0.001442909305  0.003181088538
  28  Al  4.075999596778  4.107155818837  4.137428175108  -0.081978360044  -0.010400734286  -0.218962083493  0.000847844027  0.002432103271  0.002676747210
  29  Al  3.953445260498  6.110155596640  6.241431992329  0.401458240417  -0.073517097563  -0.220011745528  -0.002465394573  0.001212938426  0.006135125153
  30  Al  6.106238383450  3.934444764776  6.099378319111  -0.105853576402  0.532437174070  -0.237953854758  0.001108329653  -0.003727928420  0.000615540297
  31  Al  6.179793545311  6.030418749849  4.027410491515  -0.280640520151  0.181866355506  -0.069545329561  0.003602036599  -0.001316469188  -0.001621680059


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)
  -71.474006024599  -0.160900062488  0.695568533797
  -0.160900062488  -72.917818104109  -1.825032738132
  0.695568533797  -1.825032738132  -64.255257793333
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.987618565163  8.064270577507  8.031105178064  0.357267406322  0.026863572987  -0.082412408867  -0.003502736274  -0.001385699636  -0.003493354672
  1  Al  8.053591621024  1.947230347151  1.909719709502  0.232151727605  0.218858903237  0.067956827277  -0.000993838713  -0.002541327639  -0.004746493016
  2  Al  1.957374711285  7.986617777424  1.971891166449  0.022129928278  0.475120336110  0.242899191372  -0.002579728181  -0.003808161331  -0.001383073367
  3  Al  1.948491050419  1.986224697266  8.063148262258  -0.024671092182  -0.048542222614  -0.050187848396  -0.003222515147  -0.001812592730  -0.002348260240
  4  Al  0.031440310682  8.011504389574  4.212233148369  0.166449416741  0.209935507509  -0.625427139648  0.002088128987  -0.003288648839  0.004853571412
  5  Al  0.015512794333  2.019044899758  6.136627745179  -0.005854735562  -0.087466877211  -0.264751170678  0.000611217788  -0.000584562425  0.001809936360
  6  Al  1.987373753172  8.097201103693  6.053404984885  0.077456784124  0.105683310378  0.166062883587  -0.001684003446  0.000807813156  -0.000409656160
  7  Al  2.013551131805  2.043180824555  4.124247213720  -0.054014862414  -0.134089103664  -0.153048898797  -0.000687734198  0.000238772107  0.003039227940
  8  Al  8.049380973316  4.149139096893  7.953545509111  0.009470491687  -0.273293622180  0.377833520005  -0.002151532607  0.003193736704  -0.005025679836
  9  Al  0.035408142785  6.059348978463  2.021009820912  -0.125224286169  -0.012464830622  0.060812535290  0.001236888159  -0.000711124415  0.000284288603
  10  Al  2.087752249040  3.947896196414  2.020941071835  -0.284957989348  0.372269719120  0.320359890104  0.001826629195  -0.002365173916  0.000998299677
  11  Al  2.043549134214  6.114083049632  0.139187207209  -0.119138913857  -0.090082814762  -0.225880528043  0.000168337806  0.001522504307  0.005874357547
  12  Al  8.052161895936  4.091457609973  3.963393299224  0.365926860013  -0.209758650064  0.230674374014  -0.000637210609  0.001371064312  -0.002612369477
  13  Al  0.008243592287  6.034413766730  5.976575487171  -0.087285761276  0.021413202120  0.326198541999  0.000090067195  -0.001610283855  -0.003224250158
  14  Al  1.996584181841  3.993213974149  6.111186801512  -0.046368397546  -0.001691427952  -0.270406244471  -0.001647272937  -0.002932090902  0.000600516055
  15  Al  2.118855297413  6.084723646096  3.931947865210  -0.401978316168  -0.187611685256  0.379818634019  0.002436045087  -0.000228324475  -0.004355732909
  16  Al  4.183022745935  0.140328756918  0.008821394499  -0.062323889918  -0.317794991550  0.187336753383  0.005450448583  0.005253570015  0.001333492875
  17  Al  3.910493913942  1.908539107922  2.004834733001  0.394671308983  0.227627779252  0.078756746254  -0.004322857164  -0.004155295483  -0.000780771056
  18  Al  6.162746803482  7.979951908718  1.891312717621  -0.282903510833  0.359148688680  0.347329974481  0.002363350336  -0.004478300966  -0.004641369135
  19  Al  6.105765206107  2.144712596347  7.932379230652  -0.164432877228  -0.547899659918  0.593047450822  0.000357625227  0.003281581016  -0.005863450620
  20  Al  4.082622427893  0.132621863983  4.061071024851  -0.209679803986  -0.414370356178  0.035660745153  0.000638506874  0.004045894077  0.000357627281
  21  Al  4.083944455023  1.990133283414  6.115233974987  -0.013516097486  0.209111988358  0.064279092740  0.001549334229  -0.000755532064  0.002290168408
  22  Al  6.077532211760  0.028928750826  6.098156542151  -0.075188490740  0.117329462205  0.095109999654  0.000046861761  0.002222502425  0.001436814509
  23  Al  6.173295133181  2.046382403256  4.028676072177  -0.218313876637  -0.002326298104  0.150646882287  0.003221456859  0.000865514778  0.000197431302
  24  Al  4.084963139009  4.029098973074  0.134834939718  0.075424237891  -0.015324633134  -0.596767370384  0.001961105539  -0.001196038656  0.003801369378
  25  Al  4.006065138692  6.204685137786  2.143973649700  0.305743595024  -0.170814602284  -0.394017370003  -0.001045835936  0.004780360164  0.003822281176
  26  Al  6.004695679093  4.155773402565  1.938554139228  0.258540412251  -0.250822954808  0.345497126286  -0.002453717284  0.004151827922  -0.002659911438
  27  Al  6.020883570508  6.127725661400  0.112408788869  -0.011334435868  -0.235508987251  -0.656320054316  -0.002227631211  0.001415154730  0.003096507852
  28  Al  4.076419854388  4.108371405564  4.138756761186  -0.084990590718  -0.011649762120  -0.217531296914  0.000841237309  0.002454407075  0.002664073810
  29  Al  3.952230508251  6.110758779665  6.244489720460  0.401464292680  -0.073227207102  -0.220371029031  -0.002417524192  0.001211804842  0.006156647040
  30  Al  6.106787816659  3.932604600316  6.099675452808  -0.108851049096  0.554697223822  -0.250969407967  0.001100014817  -0.003667007612  0.000577543049
  31  Al  6.181582019080  6.029768644615  4.026596542834  -0.285667484564  0.186680992997  -0.062190401211  0.003586884849  -0.001296342687  -0.001649774088


MDSTEP:  56
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -70.998153152641  -0.151939538434  0.752083601876
  -0.151939538434  -72.504555999104  -1.829574934363
  0.752083601876  -1.829574934363  -63.695432482643
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.985883166750  8.063578928481  8.029354816922  0.361433069888  0.026712669079  -0.077972804217  -0.003473951394  -0.001395153424  -0.003543873270
  1  Al  8.053105078767  1.945969466245  1.907349500640  0.230211932649  0.224484797414  0.069553289566  -0.000962328382  -0.002527496869  -0.004783030851
  2  Al  1.956085836394  7.984734934466  1.971210487272  0.021432264104  0.497058351085  0.245808327200  -0.002602402319  -0.003759632269  -0.001353198403
  3  Al  1.946878690056  1.985316231081  8.061971888759  -0.022838879153  -0.048125290736  -0.039137857928  -0.003260045108  -0.001840019954  -0.002380549510
  4  Al  0.032491815405  8.009869449196  4.214631977707  0.163025902603  0.219685091771  -0.638870511610  0.002139425768  -0.003283765841  0.004789440693
  5  Al  0.015818141522  2.018748708808  6.137520879077  -0.009160585709  -0.086705205941  -0.270598917244  0.000616166020  -0.000606323388  0.001780251473
  6  Al  1.986535213739  8.097609734276  6.053207579756  0.089195056546  0.096517406462  0.172433542397  -0.001686320957  0.000834408435  -0.000383308110
  7  Al  2.013204850261  2.043294216874  4.125759986460  -0.051078496671  -0.134514086972  -0.163739303476  -0.000704320046  0.000216974320  0.003041963457
  8  Al  8.048305630340  4.150723749118  7.951049558215  0.008681603821  -0.278131020997  0.387059174640  -0.002172085176  0.003176873219  -0.005008431289
  9  Al  0.036020989384  6.058992859082  2.021154683512  -0.133119880758  -0.013562650710  0.055407620400  0.001226312099  -0.000720810182  0.000297718078
  10  Al  2.088652826118  3.946730249778  2.021454541646  -0.289425947647  0.365449996193  0.322153360508  0.001793590896  -0.002322937748  0.001066629381
  11  Al  2.043627977650  6.114840275116  0.142114289204  -0.114447950575  -0.097055829019  -0.246943780792  0.000148976243  0.001521305631  0.005892242752
  12  Al  8.051859647431  4.092133765992  3.962097425547  0.366689289399  -0.220167684861  0.230805366707  -0.000577612238  0.001346374678  -0.002597633400
  13  Al  0.008284724242  6.033609581965  5.974977943049  -0.090800497500  0.019950779153  0.338000110683  0.000074911199  -0.001623157156  -0.003197515500
  14  Al  1.995758472722  3.991747853092  6.111474972477  -0.039106870614  0.008872946551  -0.273199106719  -0.001671984061  -0.002961685457  0.000557610915
  15  Al  2.120055351670  6.084601097684  3.929786976512  -0.404427956427  -0.192414765349  0.400275209755  0.002388336058  -0.000265004058  -0.004330201172
  16  Al  4.185745184371  0.142941336604  0.009496514822  -0.063618070203  -0.331220092063  0.183111615507  0.005495292255  0.005249138280  0.001380706667
  17  Al  3.908350127025  1.906471635060  2.004447867871  0.399989149007  0.234045301690  0.082689558035  -0.004295670651  -0.004156456530  -0.000774242303
  18  Al  6.163915832964  7.977728812052  1.889007558578  -0.282834078072  0.379751726887  0.356209370999  0.002336629024  -0.004457754111  -0.004625698116
  19  Al  6.105936668630  2.146328895937  7.929474014349  -0.162423675042  -0.558853539768  0.620194271665  0.000331791831  0.003215465557  -0.005814347793
  20  Al  4.082932308718  0.134626288815  4.061251432514  -0.210697711412  -0.417940818605  0.042174051457  0.000607123702  0.004012450150  0.000368346193
  21  Al  4.084718517973  1.989764864612  6.116381932443  -0.015322582382  0.213771284935  0.059105711747  0.001562710165  -0.000725129631  0.002324934752
  22  Al  6.077552281742  0.030045246624  6.098879200789  -0.083313626280  0.108601295679  0.095058875681  0.000033028987  0.002265832919  0.001468810922
  23  Al  6.174896103058  2.046815056660  4.028781521689  -0.221697442089  -0.000239124936  0.143107564107  0.003214942302  0.000874210461  0.000226000028
  24  Al  4.085947063215  4.028500268740  0.136708949120  0.073147880549  -0.011066361421  -0.611020785299  0.001994752701  -0.001210758928  0.003731489684
  25  Al  4.005555887353  6.207067682517  2.145867177853  0.318434710977  -0.172629350268  -0.405730657231  -0.001000246609  0.004798647093  0.003789471930
  26  Al  6.003480377114  4.157838104831  1.937239627106  0.268137035476  -0.266997317673  0.354464454416  -0.002431456033  0.004147881911  -0.002624125723
  27  Al  6.019769248258  6.128422711598  0.113927705524  -0.015577329313  -0.241558733010  -0.681520332476  -0.002253038933  0.001386661993  0.003007611329
  28  Al  4.076836673994  4.109598088361  4.140079074520  -0.084278431245  -0.014078974787  -0.214713226059  0.000834625679  0.002477399325  0.002652511605
  29  Al  3.951039691464  6.111361408856  6.247558193474  0.404459284632  -0.074836223595  -0.218279484268  -0.002369667726  0.001210930769  0.006180530559
  30  Al  6.107332958465  3.930795891276  6.099953006090  -0.115777478061  0.576371675026  -0.262054485351  0.001091072213  -0.003602671427  0.000537163113
  31  Al  6.183362692271  6.029128817845  4.025768875902  -0.294889690497  0.188823748787  -0.053830222800  0.003571445220  -0.001275797767  -0.001677269910


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)
  -70.521437392133  -0.143226924361  0.809103527671
  -0.143226924361  -72.082367939774  -1.829694734619
  0.809103527671  -1.829694734619  -63.127132475247
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.984162346981  8.062882545816  8.027579394931  0.370728125262  0.025089011795  -0.071667658486  -0.003444767773  -0.001405319450  -0.003595105032
  1  Al  8.052634204966  1.944715752200  1.904961094222  0.233046413475  0.228114686072  0.075100345430  -0.000930713197  -0.002513500250  -0.004820859291
  2  Al  1.954785593249  7.982877336661  1.970544875614  0.015320844252  0.517761744917  0.251802050022  -0.002626774770  -0.003707950278  -0.001322638881
  3  Al  1.945247646613  1.984394069921  8.060779864556  -0.026412320984  -0.049267059490  -0.026124633610  -0.003299186319  -0.001868399739  -0.002411778316
  4  Al  0.033568815488  8.008237386120  4.216998140771  0.162922255961  0.228426393791  -0.654507948688  0.002191641797  -0.003278222451  0.004723549352
  5  Al  0.016125815057  2.018441671422  6.138398909140  -0.007648550601  -0.087474218471  -0.280033695655  0.000621204153  -0.000628512715  0.001749445789
  6  Al  1.985696040247  8.098031252787  6.053023633418  0.095423483093  0.086139487441  0.175526758113  -0.001687585319  0.000859790843  -0.000355948606
  7  Al  2.012850407047  2.043396691302  4.127273649101  -0.054059329552  -0.136049465638  -0.176356662055  -0.000721314240  0.000194837641  0.003043606227
  8  Al  8.047219975816  4.152299753372  7.948562643977  0.013240858676  -0.281383342404  0.397911953722  -0.002193218422  0.003160127027  -0.004990805221
  9  Al  0.036628195023  6.058631847746  2.021306019252  -0.136414527879  -0.012964044022  0.053049507843  0.001215009137  -0.000730877290  0.000310685373
  10  Al  2.089536684330  3.945585116387  2.022002256476  -0.299667563950  0.360019750356  0.327010360793  0.001759452196  -0.002282110345  0.001136632114
  11  Al  2.043697349990  6.115596589570  0.145049372282  -0.115497595802  -0.102752187006  -0.265208252844  0.000129785834  0.001519441625  0.005908671018
  12  Al  8.051587232191  4.092797111915  3.960808925765  0.372509275882  -0.229622869469  0.229089357350  -0.000516971780  0.001320063093  -0.002583723999
  13  Al  0.008318121092  6.032798895179  5.973394293783  -0.089826489375  0.020660823336  0.346249190903  0.000059388598  -0.001636760483  -0.003169719092
  14  Al  1.994920732628  3.990267406981  6.111741566033  -0.037654960079  0.020247523570  -0.279536146010  -0.001696711735  -0.002990570785  0.000513604689
  15  Al  2.121231441915  6.084459994784  3.927639768084  -0.412625730799  -0.195933737679  0.418875971961  0.002339929917  -0.000302911587  -0.004302269620
  16  Al  4.188489986794  0.145551100325  0.010195053179  -0.069038759030  -0.346264883814  0.180834443965  0.005541784049  0.005243785102  0.001428282022
  17  Al  3.906220171071  1.904403868536  2.004064442913  0.399764933714  0.238578729701  0.089972376311  -0.004269124187  -0.004157985038  -0.000766881188
  18  Al  6.165071504895  7.975516909763  1.886710631951  -0.276537683466  0.399484552831  0.369323812023  0.002310954370  -0.004434786232  -0.004609369499
  19  Al  6.106095304266  2.147911648164  7.926594562914  -0.154712241536  -0.571439997176  0.648743446610  0.000306669126  0.003147559793  -0.005761571101
  20  Al  4.083226452458  0.136613832086  4.061437490776  -0.215708483291  -0.423076162402  0.046696459232  0.000575058268  0.003979161704  0.000380295405
  21  Al  4.085499188142  1.989411855296  6.117547041823  -0.022077400227  0.216591911533  0.050684828546  0.001575960426  -0.000693962423  0.002359594877
  22  Al  6.077565072146  0.031183017522  6.099617855347  -0.085643188027  0.098151396297  0.091159243137  0.000018115109  0.002308624710  0.001501265998
  23  Al  6.176493664413  2.047252151201  4.028900918560  -0.218518517699  -0.000465719660  0.133358008386  0.003209379900  0.000883449572  0.000253383810
  24  Al  4.086947709249  4.027894394614  0.138547381553  0.065970648952  -0.005354210470  -0.622635757513  0.002028549040  -0.001225126667  0.003659736211
  25  Al  4.005069997966  6.209459289594  2.147743777803  0.325899830349  -0.172986062827  -0.414400403036  -0.000952674580  0.004818484692  0.003755697748
  26  Al  6.002276634726  4.159900111102  1.935943408678  0.282991098959  -0.281477243843  0.366964009932  -0.002407535285  0.004142466031  -0.002586868504
  27  Al  6.018642032490  6.129105245006  0.115401047475  -0.014432070425  -0.245782573843  -0.704467472845  -0.002279725714  0.001357386386  0.002914391579
  28  Al  4.077250219618  4.110836158699  4.141395732719  -0.088694469511  -0.014903464695  -0.214213507476  0.000827879030  0.002501143658  0.002641984161
  29  Al  3.949872936785  6.111963529088  6.250638701740  0.402272336741  -0.074505143684  -0.219358960831  -0.002321995534  0.001210323643  0.006206758949
  30  Al  6.107873319360  3.929020319169  6.100209873906  -0.116946429978  0.598925342812  -0.276418214132  0.001081655965  -0.003534819971  0.000494227925
  31  Al  6.185135233418  6.028499359315  4.024927834755  -0.297973793106  0.193511032140  -0.047422811098  0.003555884699  -0.001254829818  -0.001704266628


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)
  -70.034319157097  -0.133414549830  0.871849303922
  -0.133414549830  -71.651555943315  -1.825790974636
  0.871849303922  -1.825790974636  -62.560055400282
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.982456534509  8.062181007561  8.025778638896  0.375868058150  0.024482337365  -0.067336860940  -0.003415074558  -0.001416253488  -0.003647101263
  1  Al  8.052179265458  1.943469198720  1.902554021535  0.231668663268  0.232438321508  0.077896756927  -0.000898920870  -0.002499444940  -0.004859909180
  2  Al  1.953472890700  7.981046505286  1.969894811635  0.013789030884  0.539465565999  0.255596086348  -0.002652955685  -0.003653068991  -0.001291287715
  3  Al  1.943596872832  1.983457667832  8.059572807637  -0.025067359525  -0.049897141146  -0.015274038469  -0.003340026274  -0.001897855786  -0.002441973588
  4  Al  0.034671918953  8.006608485472  4.219330659178  0.159553807636  0.237984726580  -0.667442943387  0.002244826230  -0.003272025565  0.004655882016
  5  Al  0.016436075246  2.018123504998  6.139261114629  -0.010301366736  -0.087805770305  -0.287002731446  0.000626395539  -0.000651248357  0.001717385967
  6  Al  1.984856512983  8.098464998613  6.052853505098  0.106687135112  0.076388936628  0.181096983145  -0.001687828922  0.000883910782  -0.000327621236
  7  Al  2.012487333494  2.043488028760  4.128787569135  -0.051833076346  -0.137445369356  -0.186543464073  -0.000738796539  0.000172256299  0.003044191255
  8  Al  8.046123958467  4.153867239151  7.946085027888  0.013803421056  -0.285671113043  0.406652381768  -0.002214830549  0.003143538677  -0.004972830612
  9  Al  0.037229601911  6.058265829613  2.021463733232  -0.143538227286  -0.012856593430  0.048352690984  0.001203033912  -0.000741227606  0.000323257852
  10  Al  2.090403015396  3.944460153968  2.022585189778  -0.304747447976  0.353231193567  0.329215021672  0.001724123858  -0.002242678224  0.001208408857
  11  Al  2.043757080206  6.116351717397  0.147991853077  -0.111450446042  -0.108962773774  -0.286796156026  0.000110697862  0.001516972900  0.005923590380
  12  Al  8.051345397332  4.093446879402  3.959527303977  0.373963347936  -0.239767452194  0.229553568215  -0.000455176110  0.001292118815  -0.002570611574
  13  Al  0.008343800179  6.031981438469  5.971824911451  -0.092339019252  0.020625496189  0.357067437050  0.000043575910  -0.001650981890  -0.003140920597
  14  Al  1.994070693597  3.988773026645  6.111985873212  -0.031135854600  0.031166912498  -0.283175839292  -0.001721539475  -0.003018726124  0.000468380348
  15  Al  2.122382962652  6.084299780823  3.925507356879  -0.415882620850  -0.199639581055  0.439855168090  0.002290715044  -0.000341985943  -0.004271847199
  16  Al  4.191257792811  0.148157514960  0.010917277424  -0.071479575833  -0.360428906847  0.175778366558  0.005589869253  0.005237430838  0.001476178794
  17  Al  3.904103478326  1.902335540400  2.003685024052  0.403771077721  0.243854786919  0.094935538980  -0.004243326738  -0.004159989753  -0.000758580797
  18  Al  6.166214620945  7.973317373463  1.884422455843  -0.275079019570  0.420132265670  0.379607311850  0.002286447105  -0.004409352471  -0.004592239223
  19  Al  6.106241723248  2.149459884898  7.923742775962  -0.151519550920  -0.583508171504  0.675487040648  0.000282355649  0.003077699848  -0.005705083308
  20  Al  4.083504339500  0.138584501586  4.061629725793  -0.217208066804  -0.426783229629  0.053869498917  0.000542238875  0.003945997092  0.000393555824
  21  Al  4.086286181503  1.989074555665  6.118729104855  -0.025139064945  0.219858485173  0.044256623012  0.001588978979  -0.000662127846  0.002394056963
  22  Al  6.077570301481  0.032341717209  6.100372563132  -0.092959113062  0.088818913773  0.089555499845  0.000002171755  0.002350845282  0.001534065654
  23  Al  6.178088586664  2.047693855170  4.029033571520  -0.220633587767  0.000048389125  0.126131802758  0.003204891578  0.000893101998  0.000279615711
  24  Al  4.087964932634  4.027281591949  0.140349418064  0.062111756588  -0.000706949283  -0.636758223226  0.002062375313  -0.001239112313  0.003586054291
  25  Al  4.004608228281  6.211860799525  2.149603103128  0.337657727102  -0.173457761724  -0.425264579367  -0.000903151782  0.004840024847  0.003721003433
  26  Al  6.001085516684  4.161958762186  1.934666377585  0.293471118424  -0.297107188805  0.376897915499  -0.002381841836  0.004135610419  -0.002548012516
  27  Al  6.017501524525  6.129772951806  0.116826753822  -0.017888117561  -0.250510410761  -0.729877693427  -0.002307652050  0.001327420031  0.002816722260
  28  Al  4.077660194522  4.112086064348  4.142707149533  -0.089114071230  -0.017076030483  -0.210899544603  0.000820889336  0.002525687228  0.002632541189
  29  Al  3.948729920447  6.112565360557  6.253732275948  0.403828080626  -0.074626554989  -0.218121644246  -0.002274609172  0.001210120614  0.006235298543
  30  Al  6.108408919879  3.927279680931  6.100444632073  -0.122893448904  0.620508328319  -0.288702120142  0.001071843448  -0.003463379511  0.000448573383
  31  Al  6.186899856446  6.027880594280  4.024073581658  -0.305964189292  0.197246339014  -0.038609853620  0.003540303702  -0.001233276862  -0.001730735550


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)
  -69.546553076498  -0.123560894621  0.935897443497
  -0.123560894621  -71.211704969473  -1.817935578208
  0.935897443497  -1.817935578208  -61.985769477824
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.980765798397  8.061473975168  8.023952078332  0.383547309654  0.023131509747  -0.061738022373  -0.003384988869  -0.001427944953  -0.003699963783
  1  Al  8.051740160529  1.942229866159  1.900127548902  0.232668913896  0.236201239260  0.082422550550  -0.000867093624  -0.002485306227  -0.004900306180
  2  Al  1.952147029223  7.979244084707  1.969260592830  0.009178492092  0.560416830214  0.260683057205  -0.002680843604  -0.003594890092  -0.001259196156
  3  Al  1.941925739193  1.982506509554  8.058351138099  -0.026617767554  -0.050774143844  -0.002999266126  -0.003382423736  -0.001928393127  -0.002471207066
  4  Al  0.035801464065  8.004983110521  4.221628765726  0.157732827142  0.246953588905  -0.681484131122  0.002298866487  -0.003265139378  0.004586513723
  5  Al  0.016748812548  2.017793955933  6.140106978693  -0.010758403313  -0.088322903191  -0.295712713543  0.000631566508  -0.000674527646  0.001684100628
  6  Al  1.984017367399  8.098910368562  6.052697789450  0.114642781093  0.065949336711  0.185119204291  -0.001686882256  0.000906762970  -0.000298212380
  7  Al  2.012115618305  2.043568013151  4.130301326337  -0.053050945617  -0.138928961895  -0.197873456872  -0.000756623500  0.000149215153  0.003043819785
  8  Al  8.045017160201  4.155426239094  7.943616789797  0.017137182209  -0.289189604037  0.416354365456  -0.002237049129  0.003127071471  -0.004954590106
  9  Al  0.037824702759  6.057894641125  2.021627523506  -0.148288228201  -0.012305694025  0.045042900279  0.001190238099  -0.000751874462  0.000335352762
  10  Al  2.091251455223  3.943354604163  2.023204110000  -0.313014897017  0.347155268764  0.332574023004  0.001687746066  -0.002204687392  0.001281889195
  11  Al  2.043807447342  6.117105333250  0.150940828582  -0.110724378759  -0.115140773889  -0.306738947328  0.000091861555  0.001513845701  0.005936834745
  12  Al  8.051134525304  4.094082221291  3.958252259152  0.377857787355  -0.249371201553  0.228981084897  -0.000392345785  0.001262490388  -0.002558190242
  13  Al  0.008361460613  6.031156869476  5.970270411938  -0.092559528581  0.021233138218  0.366164616738  0.000027351592  -0.001665844870  -0.003111009713
  14  Al  1.993208532098  3.987265056733  6.112207405528  -0.028072347152  0.042579816862  -0.288346831541  -0.001746336736  -0.003046154420  0.000421999768
  15  Al  2.123509730370  6.084119864034  3.923391094647  -0.422667453829  -0.203167307319  0.459537056111  0.002240775537  -0.000382265955  -0.004238783346
  16  Al  4.194049532326  0.150760119337  0.011663224051  -0.075911573043  -0.375158994711  0.172007453217  0.005639679770  0.005230082369  0.001524294794
  17  Al  3.901999863379  1.900266445745  2.003309977238  0.404877955503  0.248758836060  0.101265296420  -0.004218144757  -0.004162438956  -0.000749410429
  18  Al  6.167345548565  7.971131476988  1.882143304542  -0.270005336511  0.440389799050  0.391810014384  0.002262991342  -0.004381355914  -0.004574364193
  19  Al  6.106376128203  2.150972652217  7.920920428336  -0.145044009481  -0.595889346024  0.703100612866  0.000258732756  0.003005833431  -0.005644883866
  20  Al  4.083765749815  0.140538423075  4.061828911653  -0.220666319997  -0.431148024743  0.059691120371  0.000508775517  0.003913001299  0.000408267831
  21  Al  4.087079547285  1.988753319337  6.119928111592  -0.030645787011  0.222624591081  0.036517091934  0.001601882598  -0.000629601933  0.002428399837
  22  Al  6.077567232120  0.033521110024  6.101143599058  -0.096747898286  0.078676208541  0.086173177651  -0.000014954941  0.002392540491  0.001567279954
  23  Al  6.179681170212  2.048140408331  4.029179017422  -0.218898810604  -0.000067299487  0.117582664279  0.003201352237  0.000903187625  0.000304807878
  24  Al  4.088998896663  4.026662004192  0.142113982346  0.055706126173  0.004513500355  -0.649222877926  0.002096321064  -0.001252763593  0.003510293478
  25  Al  4.004171745568  6.214273058449  2.151444595671  0.346584893903  -0.173658895706  -0.434775755866  -0.000851490924  0.004863309094  0.003685275719
  26  Al  5.999907713819  4.164013286811  1.933409218528  0.306916144069  -0.311963785960  0.388510875883  -0.002354463648  0.004127255470  -0.002507591744
  27  Al  6.016346898907  6.130425464097  0.118202489682  -0.018144265105  -0.254795881226  -0.754024925763  -0.002336973986  0.001296728622  0.002714378166
  28  Al  4.078066655823  4.113348144670  4.144013992993  -0.092059998379  -0.018544879465  -0.209111729994  0.000813781281  0.002550993706  0.002624302196
  29  Al  3.947610666831  6.113167085083  6.256840175260  0.402631714589  -0.074359516656  -0.218158282988  -0.002227389005  0.001210318902  0.006266280852
  30  Al  6.108939348310  3.925575727675  6.100656013884  -0.125369838935  0.642464182269  -0.302324571729  0.001061504378  -0.003388313304  0.000400205750
  31  Al  6.188656331808  6.027272772690  4.023206488037  -0.310234340304  0.201739367695  -0.031025652362  0.003524580534  -0.001211134471  -0.001756579400


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)
  -69.049483677191  -0.112611096697  1.005620358766
  -0.112611096697  -70.763017689179  -1.805643929174
  1.005620358766  -1.805643929174  -61.413582606926
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.979090448389  8.060761036662  8.022099336773  0.387616614434  0.022808687478  -0.056207218221  -0.003354575906  -0.001440381241  -0.003753619705
  1  Al  8.051317013934  1.940997771156  1.897681080070  0.229871541780  0.241324623507  0.084160856710  -0.000835336993  -0.002470996057  -0.004942176458
  2  Al  1.950807017696  7.977471690092  1.968642647191  0.008615912018  0.582349532842  0.263420375289  -0.002710382538  -0.003533308954  -0.001226427659
  3  Al  1.940233337520  1.981540043405  8.057115400499  -0.023942452430  -0.050559585185  0.008964211772  -0.003426296053  -0.001959963188  -0.002499380104
  4  Al  0.036957947909  8.003361579569  4.223891560492  0.152809034925  0.256678854729  -0.694790592001  0.002353661372  -0.003257528918  0.004515336048
  5  Al  0.017064114905  2.017452744109  6.140935810755  -0.014935686477  -0.087698876129  -0.301588108206  0.000636580840  -0.000698283914  0.001649649192
  6  Al  1.983179050762  8.099366697959  6.052556958022  0.127041466416  0.056317504246  0.191837077758  -0.001684624388  0.000928356049  -0.000267586084
  7  Al  2.011734935197  2.043636410653  4.131814391357  -0.049665658581  -0.139560354653  -0.208753714538  -0.000774704052  0.000125762841  0.003042410815
  8  Al  8.043899401662  4.156976848158  7.941158105634  0.016883951831  -0.293902099691  0.425801988935  -0.002259964184  0.003110670689  -0.004935993636
  9  Al  0.038413193378  6.057518153834  2.021797213288  -0.156636133415  -0.012855983402  0.039251200219  0.001176490506  -0.000762885923  0.000346872553
  10  Al  2.092081336603  3.942267778183  2.023859920537  -0.316724470273  0.339759463933  0.333129278036  0.001650403308  -0.002168180055  0.001356988099
  11  Al  2.043848428779  6.117857109350  0.153895534834  -0.105556084242  -0.122457455416  -0.328093655089  0.000073368906  0.001509946886  0.005948400737
  12  Al  8.050955242519  4.094702319682  3.956983399403  0.377608203024  -0.259724039390  0.228608613652  -0.000328581549  0.001231117477  -0.002546529884
  13  Al  0.008370999032  6.030324896155  5.968731274508  -0.096062800607  0.020412497615  0.377811222566  0.000010610760  -0.001681433664  -0.003079872274
  14  Al  1.992334108907  3.985743882826  6.112405516413  -0.020577498206  0.053424455844  -0.290566082702  -0.001771026892  -0.003072864688  0.000374547183
  15  Al  2.124611225056  6.083919649551  3.921292244115  -0.424896193371  -0.207501932029  0.479525906605  0.002190158736  -0.000423847534  -0.004203106011
  16  Al  4.196865978991  0.153358391049  0.012433060119  -0.077901694236  -0.388943073685  0.167362638429  0.005691295597  0.005221745866  0.001572697242
  17  Al  3.899908888899  1.898196345697  2.002939798546  0.409725846141  0.255005593770  0.105270259526  -0.004193483463  -0.004165242116  -0.000739439028
  18  Al  6.168464975094  7.968960484297  1.879873636212  -0.269051157742  0.461384508478  0.401471268212  0.002240533429  -0.004350707414  -0.004555770112
  19  Al  6.106499011166  2.152448932893  7.918129414747  -0.142250214947  -0.606980502040  0.730698982036  0.000235756611  0.002931972515  -0.005580800763
  20  Al  4.084010273869  0.142475651563  4.062035713740  -0.220781993025  -0.434260204146  0.066137214313  0.000474763185  0.003880199949  0.000424391081
  21  Al  4.087879118728  1.988448469610  6.121143943811  -0.032991769917  0.226544795513  0.030853722223  0.001614739321  -0.000596295183  0.002462707845
  22  Al  6.077555430053  0.034720897067  6.101931090945  -0.104933866189  0.069566492134  0.084973513952  -0.000033368394  0.002433745746  0.001600968051
  23  Al  6.181272061632  2.048591999135  4.029336677264  -0.221890614710  0.001296381358  0.109509720596  0.003198684042  0.000913792749  0.000328887164
  24  Al  4.090049547239  4.026035824147  0.143840109056  0.052164663790  0.008723006003  -0.662383809270  0.002130433446  -0.001266122137  0.003432459847
  25  Al  4.003761492327  6.216696950506  2.153267799211  0.359435510847  -0.174575975593  -0.446526891534  -0.000797533169  0.004888321315  0.003648391009
  26  Al  5.998744201037  4.166062969877  1.932172788953  0.316598691355  -0.327901591278  0.397790322206  -0.002325430293  0.004117341143  -0.002465615483
  27  Al  6.015177600872  6.131062439123  0.119525974122  -0.022290076973  -0.260333915912  -0.778605531578  -0.002367783653  0.001265207765  0.002607307997
  28  Al  4.078469431415  4.114622812574  4.145316796872  -0.091140630217  -0.021225269237  -0.206456583224  0.000806668157  0.002577036495  0.002617210310
  29  Al  3.946514969821  6.113768920691  6.259963564089  0.404946304281  -0.075253717595  -0.215821727688  -0.002180232888  0.001210850652  0.006299839322
  30  Al  6.109464496512  3.923910288940  6.100842602960  -0.132012650305  0.663568848174  -0.313871138965  0.001050560644  -0.003309566479  0.000349128162
  31  Al  6.190404754711  6.026676223131  4.022326811501  -0.319076094981  0.204569329754  -0.022913320018  0.003508618407  -0.001188460674  -0.001781866902


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)
  -68.553389636498  -0.101984458933  1.076398562503
  -0.101984458933  -70.306072443766  -1.788693076281
  1.076398562503  -1.788693076281  -60.834004366615
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.977430486759  8.060041865582  8.020220014478  0.395447099569  0.021278016321  -0.050382696162  -0.003323787437  -0.001453590616  -0.003808079721
  1  Al  8.050909620613  1.939773060251  1.895213753801  0.230568473938  0.245270471838  0.089260128586  -0.000803656204  -0.002456478421  -0.004985495855
  2  Al  1.949452211555  7.975731066430  1.968041208157  0.004125382577  0.602972591825  0.268847894275  -0.002741591092  -0.003468263523  -0.001192918321
  3  Al  1.938519119275  1.980557801816  8.055866111144  -0.025097153276  -0.051060756215  0.021145832536  -0.003471641530  -0.001992557861  -0.002526498055
  4  Al  0.038141609104  8.001744288563  4.226118171627  0.150256190616  0.265528058344  -0.708567309079  0.002409180743  -0.003249180584  0.004442290775
  5  Al  0.017381737705  2.017099682044  6.141747154471  -0.015564686694  -0.087877313438  -0.310768713620  0.000641422171  -0.000722505026  0.001613947656
  6  Al  1.982342417276  8.099833393356  6.052431740028  0.135401990770  0.045732637998  0.195779480395  -0.001680995948  0.000948672501  -0.000235714603
  7  Al  2.011345363134  2.043693053776  4.133326265548  -0.050726164483  -0.140697243161  -0.219779868829  -0.000793035919  0.000101910439  0.003039968346
  8  Al  8.042770174276  4.158519046185  7.938709142012  0.020700745091  -0.297360112700  0.435227782184  -0.002283547368  0.003094321705  -0.004917033526
  9  Al  0.038994437053  6.057136136214  2.021972404079  -0.161530157954  -0.012425793004  0.036231897214  0.001161754028  -0.000774281728  0.000357842821
  10  Al  2.092892380787  3.941198875281  2.024553305345  -0.324600623744  0.333659076827  0.336201344701  0.001612090113  -0.002133145582  0.001433742282
  11  Al  2.043880394913  6.118606608988  0.156855069534  -0.104325260976  -0.129244027957  -0.348323891586  0.000055257641  0.001505204635  0.005958229743
  12  Al  8.050807830695  4.095306268849  3.955720353183  0.381026669844  -0.269234185249  0.228095778341  -0.000263873541  0.001197963583  -0.002535618215
  13  Al  0.008372010439  6.029485091754  5.967208226397  -0.096150454954  0.020873533719  0.386386731643  -0.000006651447  -0.001697774506  -0.003047510642
  14  Al  1.991447675654  3.984209838536  6.112579801805  -0.017372779227  0.064969144946  -0.295700737143  -0.001795605699  -0.003098843165  0.000325981558
  15  Al  2.125687311717  6.083698450522  3.919212125745  -0.431432313528  -0.211193602560  0.499120048192  0.002138839425  -0.000466786152  -0.004164755079
  16  Al  4.199708144611  0.155951878367  0.013226889790  -0.082922629181  -0.404070511104  0.162962810557  0.005744698847  0.005212350757  0.001621358260
  17  Al  3.897830461765  1.896125123298  2.002574784575  0.410453521178  0.260187016467  0.112003346418  -0.004169353587  -0.004168366187  -0.000728611703
  18  Al  6.169573215319  7.966805754311  1.877613696777  -0.263450843823  0.481537121967  0.414497410803  0.002219111088  -0.004317350664  -0.004536346766
  19  Al  6.106610530938  2.153887787341  7.915371676347  -0.135455497050  -0.618827613817  0.758076225896  0.000213448365  0.002856084661  -0.005512749424
  20  Al  4.084237786586  0.144396340262  4.062250865590  -0.223823024668  -0.438475944972  0.072311561760  0.000440209785  0.003847574917  0.000441983195
  21  Al  4.088685013668  1.988160448489  6.122376676884  -0.038866020211  0.229373451329  0.022393961119  0.001627518125  -0.000562169371  0.002496929036
  22  Al  6.077534055350  0.035940879537  6.102735373256  -0.108861022947  0.059253347754  0.080480363385  -0.000053108118  0.002474457900  0.001635051230
  23  Al  6.182861485222  2.049048953458  4.029506015891  -0.219983689695  0.001221247601  0.101085409992  0.003196900541  0.000924930943  0.000351865829
  24  Al  4.091117095704  4.025403152994  0.145526730662  0.044904224420  0.014131098559  -0.674565850349  0.002164651732  -0.001279171750  0.003352493066
  25  Al  4.003378792380  6.219133307680  2.155072035124  0.368176310263  -0.174739085653  -0.455608621951  -0.000741230866  0.004915085143  0.003610338580
  26  Al  5.997595637738  4.168106983366  1.930957762295  0.330131701374  -0.342518749573  0.409902761491  -0.002294687733  0.004105850351  -0.002421984935
  27  Al  6.013992712687  6.131683406173  0.120794824734  -0.022612872579  -0.264750208389  -0.802451340323  -0.002400116555  0.001232811376  0.002495405562
  28  Al  4.078868691540  4.115910382059  4.146616173492  -0.094033732505  -0.022636726282  -0.204364348684  0.000799547441  0.002603837548  0.002611293470
  29  Al  3.945442954331  6.114370982203  6.263103836597  0.403164605329  -0.074999458928  -0.216051185356  -0.002133157152  0.001211714967  0.006335987549
  30  Al  6.109983875917  3.922285166990  6.101003137114  -0.134390194942  0.685156103932  -0.328168750167  0.001039003466  -0.003227067114  0.000295213437
  31  Al  6.192144801328  6.026091136970  4.021434853833  -0.323157792531  0.208968413575  -0.015277456240  0.003492409570  -0.001165239177  -0.001806596892


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)
  -68.050831645663  -0.089606318144  1.151491455934
  -0.089606318144  -69.840373594819  -1.766827516383
  1.151491455934  -1.766827516383  -60.254531048590
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.975786269384  8.059316021393  8.018313722529  0.401553129690  0.020293021232  -0.044796617384  -0.003292399251  -0.001467643843  -0.003863364767
  1  Al  8.050518098838  1.938555784543  1.892724995769  0.229320370935  0.249682060353  0.092464766694  -0.000771888188  -0.002441794295  -0.005030152870
  2  Al  1.948081600412  7.974023887326  1.967456766400  0.001779992404  0.624216259013  0.272780028948  -0.002774657606  -0.003399716134  -0.001158524124
  3  Al  1.936782176676  1.979559240488  8.054603807328  -0.023987114190  -0.051346107304  0.033176794747  -0.003518631823  -0.002026245940  -0.002552546873
  4  Al  0.039352915873  8.000131567279  4.228307644311  0.146239231853  0.274724995259  -0.721449693179  0.002465538985  -0.003240112341  0.004367326132
  5  Al  0.017701753055  2.016734501447  6.142540237049  -0.018307385993  -0.087744605211  -0.318112119339  0.000646218185  -0.000747252940  0.001576817643
  6  Al  1.981507971722  0.000313526095  6.052322633999  0.145920034974  0.035432655128  0.201223297565  -0.001676139998  0.000967644474  -0.000202676770
  7  Al  2.010946577733  2.043737719879  4.134836425640  -0.049245795966  -0.141876627194  -0.230359333339  -0.000811802320  0.000077587942  0.003036490849
  8  Al  8.041629325909  4.160052915147  7.936270079774  0.022711318683  -0.301435853394  0.444275723993  -0.002307605935  0.003078057674  -0.004897706022
  9  Al  0.039568093727  6.056748439922  2.022152945043  -0.168164462787  -0.012283055801  0.031589127498  0.001146156777  -0.000786007346  0.000368366001
  10  Al  2.093683916313  3.940147216931  2.025285204565  -0.330018772896  0.326621178801  0.337418349612  0.001572608123  -0.002099537366  0.001512273403
  11  Al  2.043903360432  6.119353434144  0.159818614453  -0.101031598911  -0.136260849522  -0.369618835225  0.000037351118  0.001499625560  0.005966283568
  12  Al  8.050692925680  4.095893215969  3.954462739875  0.382111391801  -0.279042655207  0.227946843772  -0.000198047427  0.001163029527  -0.002525425176
  13  Al  0.008364386825  6.028637137541  5.965701742423  -0.097776442094  0.021028979793  0.396540331662  -0.000024282373  -0.001714790452  -0.003014009960
  14  Al  1.990549096248  3.982663321050  6.112729574867  -0.012002890506  0.076258196323  -0.299012847344  -0.001820270979  -0.003124042203  0.000276158205
  15  Al  2.126737446560  6.083455617168  3.917152058692  -0.435770187412  -0.214833062758  0.519104760800  0.002086575573  -0.000511060345  -0.004123654078
  16  Al  4.202576787423  0.158539991939  0.014044853299  -0.086794023093  -0.418468916006  0.157909092037  0.005799747335  0.005201797621  0.001670266904
  17  Al  3.895764132096  1.894052570470  2.002215485233  0.412997466508  0.265822043765  0.117277623090  -0.004145934994  -0.004171852486  -0.000716792791
  18  Al  6.170670994705  7.964668603515  1.875364051279  -0.259969413041  0.502212033817  0.425810190752  0.002198941604  -0.004281239745  -0.004515900599
  19  Al  6.106711200309  2.155288168299  7.912649187370  -0.130456777418  -0.630231871257  0.785176022022  0.000192000667  0.002778055229  -0.005440657096
  20  Al  4.084447886670  0.146300528004  4.062475089489  -0.225363882990  -0.441808551987  0.078992090996  0.000404955843  0.003815069460  0.000461092355
  21  Al  4.089497035434  1.987889616714  6.123626142404  -0.043200726880  0.232369441554  0.015280505186  0.001640038349  -0.000527273911  0.002530940730
  22  Al  6.077502635242  0.037180757091  6.103556496314  -0.114870111931  0.049569177328  0.077383954479  -0.000074005550  0.002514632728  0.001669376331
  23  Al  6.184450102301  2.049511473519  4.029686467287  -0.220500789845  0.001678863301  0.093160514849  0.003196220107  0.000936529336  0.000373756571
  24  Al  4.092201428773  4.024764198774  0.147172824344  0.039101240963  0.018740450625  -0.687126889049  0.002198783759  -0.001291874560  0.003270354872
  25  Al  4.003024634295  6.221583039478  2.156856838873  0.378791624204  -0.174911438252  -0.466057571223  -0.000682718555  0.004943682783  0.003571180722
  26  Al  5.996463050640  4.170144598076  1.929765092334  0.341678038368  -0.357728547315  0.420558535510  -0.002262016016  0.004092802775  -0.002376516206
  27  Al  6.012791643622  6.132287977623  0.122006658229  -0.024796312946  -0.269526612669  -0.826768764086  -0.002433822659  0.001199571346  0.002378553031
  28  Al  4.079264261986  4.117211288980  4.147912685214  -0.094968528333  -0.024896229460  -0.201722801585  0.000792242937  0.002631448670  0.002606548625
  29  Al  3.944394397068  6.114973487237  6.266262172961  0.403049427285  -0.074975941286  -0.214849729175  -0.002086342806  0.001212993719  0.006374647008
  30  Al  6.110497370456  3.920702259664  6.101136074807  -0.138702200389  0.706114636765  -0.341057561436  0.001027024000  -0.003140715039  0.000238269964
  31  Al  6.193876561076  6.025517858194  4.020530872490  -0.329325850048  0.212606931567  -0.007135791847  0.003476166037  -0.001141369898  -0.001830766817


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)
  -67.547423177871  -0.077832121623  1.228660790092
  -0.077832121623  -69.366395232672  -1.740180280057
  1.228660790092  -1.740180280057  -59.669756237656
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.974158019039  8.058583106563  8.016380037753  0.410644979291  0.018342309526  -0.038934514265  -0.003260250908  -0.001482589660  -0.003919493431
  1  Al  8.050142405283  1.937346048094  1.890214052476  0.230621826571  0.253494989602  0.098274392044  -0.000739952926  -0.002426930224  -0.005076098216
  2  Al  1.946694351174  7.972351931501  1.966889697508  -0.003066595595  0.644434625166  0.278780726614  -0.002809641895  -0.003327597045  -0.001123153974
  3  Al  1.935021788549  1.978543822365  8.053329016882  -0.025108542846  -0.051885138283  0.045371690239  -0.003567293092  -0.002061053597  -0.002577513111
  4  Al  0.040592222207  7.998523791217  4.230459058835  0.144122934027  0.283101761656  -0.734813000257  0.002522806631  -0.003230333319  0.004290383414
  5  Al  0.018024043814  2.016356952824  6.143314426374  -0.018416545252  -0.087671775218  -0.327918960316  0.000651014556  -0.000772522485  0.001538152281
  6  Al  1.980676424297  0.000798932159  6.052230290223  0.154080618635  0.024212653701  0.204680374122  -0.001670046388  0.000985203664  -0.000168480210
  7  Al  2.010538475304  2.043770172016  4.136344374085  -0.050595779195  -0.143047240247  -0.241072062138  -0.000831041790  0.000052770870  0.003031973754
  8  Al  8.040476538129  4.161578469910  7.933841085728  0.027817917973  -0.304456091691  0.453200568088  -0.002332030494  0.003061891196  -0.004878011204
  9  Al  0.040133655224  6.056354887201  2.022338540066  -0.172277112019  -0.011773030751  0.029067929585  0.001129742295  -0.000798062354  0.000378485925
  10  Al  2.094455468654  3.939112048097  2.026056423745  -0.337954307778  0.320620581913  0.340422138768  0.001531903613  -0.002067331184  0.001592637398
  11  Al  2.043917519915  6.120097156113  0.162785234409  -0.100236492556  -0.143295316732  -0.390355390844  0.000019601157  0.001493164467  0.005972464124
  12  Al  8.050610982208  4.096462257627  3.953210216429  0.386020691443  -0.288046173386  0.227862515082  -0.000131002791  0.001126310351  -0.002515899908
  13  Al  0.008347875066  6.027780682303  5.964212462654  -0.096771183469  0.021558287101  0.404399068382  -0.000042198498  -0.001732484305  -0.002979382398
  14  Al  1.989638424233  3.981104708663  6.112854288203  -0.009403547602  0.088373543483  -0.304529814461  -0.001845083241  -0.003148397664  0.000224994233
  15  Al  2.127761255576  6.083190484035  3.915113435450  -0.442816449734  -0.218303939846  0.538999832455  0.002033264538  -0.000556691340  -0.004079691601
  16  Al  4.205472781429  0.161122185339  0.014887045231  -0.093473242241  -0.433945353811  0.152851313090  0.005856311758  0.005190003316  0.001719387242
  17  Al  3.893709625438  1.891978526377  2.001862331105  0.412394562099  0.271310015168  0.124784814456  -0.004123318285  -0.004175655546  -0.000703888240
  18  Al  6.171758844968  7.962550432340  1.873125134542  -0.253256397585  0.522012651794  0.439860134377  0.002180116077  -0.004242324475  -0.004494286974
  19  Al  6.106801369271  2.156649024776  7.909963955907  -0.122641463685  -0.641567702223  0.811953669648  0.000171502308  0.002697838992  -0.005364450761
  20  Al  4.084640290907  0.148188314051  4.062709166584  -0.229151383749  -0.446256343060  0.085539447921  0.000368900776  0.003782621601  0.000481780529
  21  Al  4.090315123551  1.987636366589  6.124892295802  -0.050425921408  0.234909600534  0.005936327827  0.001652172603  -0.000491600546  0.002564666481
  22  Al  6.077460497815  0.038440289179  6.104394643515  -0.118270622106  0.038684977017  0.071557180388  -0.000096040076  0.002554221945  0.001703837157
  23  Al  6.186038356049  2.049979813231  4.029877509813  -0.217856876773  0.001613560077  0.084889229235  0.003196704179  0.000948596300  0.000394570941
  24  Al  4.093302568464  4.024119099185  0.148777287455  0.030233857082  0.024383893130  -0.698836337683  0.002232691246  -0.001304205210  0.003185990728
  25  Al  4.002700206867  6.224047062391  2.158621596628  0.386380044561  -0.174920470876  -0.474257151027  -0.000622032539  0.004974139992  0.003530938230
  26  Al  5.995347315517  4.172175009126  1.928595633046  0.355479684838  -0.371862299037  0.433411604527  -0.002227333098  0.004078190562  -0.002329077072
  27  Al  6.011573623907  6.132875715553  0.123158978478  -0.024434658769  -0.274088218280  -0.850483291368  -0.002468863889  0.001165436304  0.002256613775
  28  Al  4.079656138396  4.118525900462  4.149206942590  -0.098684467291  -0.026130356918  -0.199526232351  0.000784668687  0.002659897786  0.002602981746
  29  Al  3.943369241829  6.115576632700  6.269439892760  0.399879030705  -0.074524673433  -0.215943126366  -0.002039877631  0.001214703641  0.006415757668
  30  Al  6.111004682518  3.919163465215  6.101239964639  -0.140218922429  0.727645438865  -0.356065040183  0.001014681431  -0.003050395072  0.000178158757
  31  Al  6.195599923348  6.024956676699  4.019615170114  -0.332615635141  0.217075235056  0.000891964412  0.003459928643  -0.001116816960  -0.001854338414


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)
  -67.039366731521  -0.064230666397  1.311824276111
  -0.064230666397  -68.884390898891  -1.708383266539
  1.311824276111  -1.708383266539  -59.087859454708
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.972546249268  8.057842631627  8.014418550679  0.414789174554  0.017898689288  -0.032208760776  -0.003227466343  -0.001498388482  -0.003976378023
  1  Al  8.049782737532  1.936143914116  1.887680396198  0.227120184074  0.258368278721  0.100024969361  -0.000708027419  -0.002411814886  -0.005123469947
  2  Al  1.945289393151  7.970716938974  1.966340581919  -0.003982148106  0.665688827789  0.281123599665  -0.002846439318  -0.003251790675  -0.001086909358
  3  Al  1.933237019661  1.977510976320  8.052042288425  -0.022210402471  -0.051482410879  0.058094604444  -0.003617487694  -0.002096938586  -0.002601315996
  4  Al  0.041860067766  7.996921279105  4.232571404665  0.137556610755  0.292743370802  -0.747743438049  0.002580780348  -0.003219763966  0.004211354009
  5  Al  0.018348727878  2.015966772685  6.144068844655  -0.023448428818  -0.087105785593  -0.333841494074  0.000655602031  -0.000798290670  0.001498025502
  6  Al  1.979848288451  0.001292616287  6.052155199257  0.166127820370  0.014507152492  0.211759896890  -0.001662544516  0.001001388980  -0.000132939903
  7  Al  2.010120692796  2.043790163291  4.137849585128  -0.047623257471  -0.143747828147  -0.251867558723  -0.000850630738  0.000027480772  0.003026358658
  8  Al  8.039311766333  4.163095806431  7.931422338028  0.028439151347  -0.309243278504  0.462955311648  -0.002356948886  0.003045726354  -0.004857831842
  9  Al  0.040690825646  6.055955329773  2.022529082354  -0.180779429992  -0.011887598940  0.022914909993  0.001112312497  -0.000810475618  0.000388063950
  10  Al  2.095206314024  3.938092714130  2.026867959191  -0.341515254514  0.312981890202  0.339404543140  0.001490092859  -0.002036564462  0.001674692297
  11  Al  2.043922839958  6.120837333098  0.165754017725  -0.095171898364  -0.151102592660  -0.411256967400  0.000002159223  0.001485723322  0.005976741904
  12  Al  8.050562735799  4.097012537242  3.951962451847  0.384592131519  -0.298295785339  0.226849626241  -0.000062909902  0.001087712434  -0.002507104604
  13  Al  0.008322450180  6.026915403798  5.962740847947  -0.100054795087  0.021433848699  0.415686699564  -0.000060564136  -0.001750887873  -0.002943467444
  14  Al  1.988715462277  3.979534460096  6.112953172947  -0.002479602262  0.099143146919  -0.305733477886  -0.001869904868  -0.003171936897  0.000172630603
  15  Al  2.128758094109  6.082902380257  3.913097682748  -0.445477604096  -0.222269506204  0.557606840337  0.001978997113  -0.000603749619  -0.004032898344
  16  Al  4.208396759088  0.163697789796  0.015753571251  -0.096101513275  -0.447964167789  0.147975917023  0.005914514590  0.005176940191  0.001768755038
  17  Al  3.891666400184  1.889902826064  2.001515964821  0.416556916449  0.277435293036  0.128521830128  -0.004101322618  -0.004179706061  -0.000690010178
  18  Al  6.172837582536  7.960452603880  1.870897652645  -0.250812755052  0.542981490035  0.450031652956  0.002162530078  -0.004200486758  -0.004471547417
  19  Al  6.106881638396  2.157969266427  7.907318024564  -0.118574838527  -0.652318529657  0.839502182904  0.000151867393  0.002615398121  -0.005283950435
  20  Al  4.084814498310  0.150059677354  4.062953880432  -0.228250735964  -0.448741974685  0.091755678142  0.000332230727  0.003750260752  0.000504034927
  21  Al  4.091138955832  1.987401066691  6.126174894394  -0.053177917184  0.238127051666  0.000083829149  0.001664054208  -0.000455093899  0.002598218013
  22  Al  6.077407191122  0.039719129357  6.105249760674  -0.125689465321  0.029715356852  0.069157325537  -0.000119366622  0.002593287573  0.001738506650
  23  Al  6.187626970014  2.050454183507  4.030078589802  -0.219672743387  0.002192185774  0.076526717234  0.003198226475  0.000961149030  0.000414265123
  24  Al  4.094420265529  4.023468086531  0.150339045087  0.025317481710  0.028418748213  -0.710665886042  0.002266455406  -0.001316208629  0.003099363202
  25  Al  4.002406461646  6.226526313504  2.160365866619  0.398732845421  -0.175078847070  -0.486095836169  -0.000558946062  0.005006463150  0.003489420446
  26  Al  5.994249538782  4.174197482296  1.927450467853  0.365904367040  -0.387313524089  0.442785479521  -0.002190676941  0.004061932289  -0.002279712035
  27  Al  6.010338099742  6.133446182060  0.124249269069  -0.027910682644  -0.278979955680  -0.873703280594  -0.002505377210  0.001130354860  0.002129530864
  28  Al  4.080044061579  4.119854681338  4.150499514712  -0.097620785021  -0.028988364180  -0.197239990692  0.000776991708  0.002689138799  0.002600554149
  29  Al  3.942367177462  6.116180653294  6.272638119014  0.401265158674  -0.074825539985  -0.212973688679  -0.001993586719  0.001216812839  0.006459488004
  30  Al  6.111505755498  3.917670793168  6.101313128039  -0.145804576377  0.747366442632  -0.367568840483  0.001001840669  -0.002956090587  0.000114926684
  31  Al  6.197315019870  6.024407971403  4.018688040778  -0.340043007980  0.220343916279  0.008137605692  0.003443547660  -0.001091581799  -0.001877385509


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)
  -66.532242036112  -0.050988617044  1.396261394574
  -0.050988617044  -68.394871020122  -1.671389349914
  1.396261394574  -1.671389349914  -58.500760726674
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.970951057023  8.057094237451  8.012428921947  0.423009052325  0.016456272270  -0.025013763158  -0.003194066838  -0.001515000889  -0.004033904356
  1  Al  8.049438876013  1.934949555642  1.885123132305  0.227148364165  0.262506948013  0.105131964056  -0.000676201718  -0.002396384142  -0.005172330800
  2  Al  1.943865995492  7.969120799688  1.965809693363  -0.008669356673  0.685686292141  0.286399337652  -0.002885054551  -0.003172193576  -0.001049812957
  3  Al  1.931427283017  1.976460205781  8.050744227235  -0.022892715458  -0.051547441448  0.071193621731  -0.003669192019  -0.002133873831  -0.002623848185
  4  Al  0.043156606671  7.995324482645  4.234643657807  0.133858531053  0.301414729507  -0.761484787438  0.002639336361  -0.003208331042  0.004130090474
  5  Al  0.018675480758  2.015563733752  6.144802934811  -0.024939248712  -0.086821572294  -0.342874992652  0.000659849329  -0.000824552688  0.001456450532
  6  Al  1.979024442046  0.001793959242  6.052098194896  0.174429586119  0.003922604852  0.216000447806  -0.001653583181  0.001016240132  -0.000095945006
  7  Al  2.009693248684  2.043797478201  4.139351506067  -0.048712982719  -0.144738520986  -0.263117903583  -0.000870553838  0.000001712551  0.003019550977
  8  Al  8.038134563110  4.164604846544  7.929014116043  0.033106797250  -0.312902762404  0.472771497017  -0.002382400161  0.003029467435  -0.004837023783
  9  Al  0.041238901119  6.055549560593  2.022724138618  -0.185775127184  -0.011435485722  0.019663179166  0.001093753423  -0.000823256886  0.000397028815
  10  Al  2.095936094845  3.937088422076  2.027720476601  -0.348894828073  0.306489850655  0.340909055264  0.001447173155  -0.002007263595  0.001758357379
  11  Al  2.043919665420  6.121573440527  0.168724005639  -0.094038350729  -0.158665835395  -0.430993096401  -0.000014950279  0.001477223134  0.005979129457
  12  Al  8.050548471978  4.097543059744  3.950719039642  0.386765109212  -0.307706677547  0.225548424128  0.000006128506  0.001047141279  -0.002499130608
  13  Al  0.008287695699  6.026040917947  5.961287695271  -0.099885796471  0.021971443309  0.423912437144  -0.000079471214  -0.001770004331  -0.002906166380
  14  Al  1.987780399006  3.977952923311  6.113025822072  0.000357732009  0.110611903761  -0.309867139641  -0.001894711686  -0.003194692124  0.000119144339
  15  Al  2.129727679977  6.082590570081  3.911106158401  -0.452133842124  -0.225726710366  0.575653636331  0.001923745646  -0.000652274869  -0.003983339385
  16  Al  4.211349720680  0.166266236054  0.016644563240  -0.102203559600  -0.462920590943  0.143558509539  0.005974409032  0.005162582834  0.001818444222
  17  Al  3.889634358819  1.887825374291  2.001176704612  0.416604354046  0.283163138748  0.135201827738  -0.004079846181  -0.004183949108  -0.000675206118
  18  Al  6.173907636335  7.958376631578  1.868681995189  -0.243902424724  0.562983213800  0.463632843080  0.002146187330  -0.004155606206  -0.004447652794
  19  Al  6.106952271840  2.159247807084  7.904713574792  -0.110462520977  -0.663142259911  0.866811176719  0.000133121201  0.002530676803  -0.005198954899
  20  Al  4.084970410948  0.151914749125  4.063209999341  -0.230625940649  -0.452349966384  0.097407684874  0.000295040813  0.003718010192  0.000527803506
  21  Al  4.091968605903  1.987184163935  6.127474007147  -0.059668423205  0.240701204750  -0.008766373134  0.001675737926  -0.000417714167  0.002631633413
  22  Al  6.077341889537  0.041017101409  6.106122105306  -0.129082488792  0.019626868476  0.063336923792  -0.000144014162  0.002631893728  0.001773392420
  23  Al  6.189216263959  2.050934856012  4.030289143080  -0.217050981509  0.002215888054  0.067605677832  0.003200769831  0.000974200451  0.000432773282
  24  Al  4.095554624915  4.022811252525  0.151856960178  0.016566483358  0.033427873294  -0.721111848378  0.002300083742  -0.001327932811  0.003010477058
  25  Al  4.002144811830  6.229021719118  2.162088848533  0.406918045376  -0.174898606386  -0.494859940238  -0.000493331078  0.005040666499  0.003446502541
  26  Al  5.993170556105  4.176211135666  1.926330404187  0.379741080321  -0.401583165491  0.455175597972  -0.002151976424  0.004043946648  -0.002228387382
  27  Al  6.009084163539  6.133998889186  0.125274980278  -0.027515069199  -0.283474725725  -0.895809175451  -0.002543377172  0.001094289419  0.001997287571
  28  Al  4.080428193819  4.121197954968  4.151790975229  -0.100128408664  -0.030767779272  -0.195816376074  0.000769308345  0.002719124994  0.002599185221
  29  Al  3.941388320511  6.116785715039  6.275858343169  0.398508675812  -0.074520114785  -0.213078640506  -0.001947389051  0.001219303297  0.006505927785
  30  Al  6.112000158420  3.916226154886  6.101354161186  -0.147244467399  0.767504060822  -0.381970669191  0.000988485233  -0.002857792245  0.000048549169
  31  Al  6.199021593900  6.023872029798  4.017749711771  -0.343187278186  0.224519922609  0.014850864006  0.003426992718  -0.001065656886  -0.001900016403


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)
  -66.018887365073  -0.035574482199  1.485765429964
  -0.035574482199  -67.897267257336  -1.627941786804
  1.485765429964  -1.627941786804  -57.916151884734
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.969372931956  8.056337472596  8.010410851663  0.428520946837  0.015600913692  -0.018628790884  -0.003159867662  -0.001532468701  -0.004092102404
  1  Al  8.049110928604  1.933763097538  1.882541666266  0.224384036216  0.267021352709  0.107458346547  -0.000644385130  -0.002380632331  -0.005222622220
  2  Al  1.942423080699  7.967565352831  1.965297588832  -0.009577083412  0.706390434450  0.289350555027  -0.002925503075  -0.003088725961  -0.001011766041
  3  Al  1.929591663711  1.975390964714  8.049435485472  -0.019664287185  -0.051388229397  0.083492350724  -0.003722387422  -0.002171894182  -0.002645116338
  4  Al  0.044482258280  7.993733790254  4.236674664948  0.127850258221  0.310482971444  -0.773524912623  0.002698538746  -0.003196034706  0.004046553781
  5  Al  0.019004290647  2.015147576515  6.145515833688  -0.029320357885  -0.086295560736  -0.349341382528  0.000663806335  -0.000851325120  0.001413319647
  6  Al  1.978205447396  0.002302254647  6.052059877535  0.186571752620  -0.006363996919  0.222560996339  -0.001643111699  0.001029684334  -0.000057500884
  7  Al  2.009255794313  2.043791864716  4.140849520280  -0.045747385527  -0.145897327343  -0.273157914012  -0.000890818433  -0.000024596445  0.003011567565
  8  Al  8.036944842891  4.166105593621  7.926616736867  0.035139931860  -0.317230928540  0.481640449292  -0.002408253079  0.003013113711  -0.004815596221
  9  Al  0.041777473750  6.055137420988  2.022923531962  -0.193318107568  -0.011174656439  0.013966630500  0.001074114751  -0.000836375745  0.000405414576
  10  Al  2.096644085949  3.936098490265  2.028614893802  -0.352198516884  0.298963558097  0.339653359717  0.001403113251  -0.001979400350  0.001843661966
  11  Al  2.043907986800  6.122304959788  0.171694305131  -0.089175355816  -0.166420201759  -0.452643853971  -0.000031750740  0.001467634113  0.005979472123
  12  Al  8.050568824492  4.098052876006  3.949479556272  0.385809469220  -0.317282721005  0.225428001246  0.000076207280  0.001004597267  -0.002491877343
  13  Al  0.008243495233  6.025156897897  5.959853560814  -0.101970238689  0.022198116196  0.434447412053  -0.000098828311  -0.001789803779  -0.002867477008
  14  Al  1.986833059154  3.976360521561  6.113071543292  0.006874058200  0.121930568162  -0.311300096922  -0.001919534691  -0.003216582514  0.000064467832
  15  Al  2.130669342580  6.082254342743  3.909140220219  -0.454989589823  -0.229041767115  0.594768388180  0.001867427598  -0.000702248694  -0.003930861493
  16  Al  4.214332356733  0.168826835087  0.017560202365  -0.106767162057  -0.477259993293  0.137610111223  0.006035813949  0.005146822450  0.001868371148
  17  Al  3.887613057793  1.885746057027  2.000845145026  0.419351807643  0.289276805959  0.139701125807  -0.004058969105  -0.004188346852  -0.000659379022
  18  Al  6.174969827650  7.956323993622  1.866478893014  -0.240629986612  0.583443693131  0.474741269755  0.002131147811  -0.004107618781  -0.004422442405
  19  Al  6.107013894805  2.160483503265  7.902152843490  -0.105595493265  -0.673422139774  0.893231823511  0.000115336118  0.002443612199  -0.005109402901
  20  Al  4.085107622458  0.153753534340  4.063478255182  -0.230615701462  -0.455134829689  0.104316074650  0.000257219077  0.003685786905  0.000553177349
  21  Al  4.092803807708  1.986986066109  6.128789432000  -0.063925038719  0.243288498192  -0.015469754837  0.001687073853  -0.000379481014  0.002664825197
  22  Al  6.077264112516  0.042333925587  6.107011632654  -0.136193269928  0.010113548670  0.059545619088  -0.000169985086  0.002669979365  0.001808372588
  23  Al  6.190806946774  2.051422055286  4.030508551671  -0.218488687166  0.002494514222  0.059792925470  0.003204350111  0.000987727307  0.000450135286
  24  Al  4.096705407301  4.022148780333  0.153329965267  0.009911676710  0.037602065594  -0.732720916145  0.002333411960  -0.001339354128  0.002919239654
  25  Al  4.001916335381  6.231534234463  2.163789979742  0.417892080838  -0.174613256631  -0.505628947147  -0.000425235928  0.005076782138  0.003402201983
  26  Al  5.992111542183  4.178215158367  1.925236556682  0.390073733334  -0.416467029168  0.465199905816  -0.002111167756  0.004024209136  -0.002174965199
  27  Al  6.007811245039  6.134533362678  0.126233581716  -0.030493008832  -0.288164568035  -0.919038724916  -0.002582833617  0.001057213005  0.001859717304
  28  Al  4.080808372288  4.122556142156  4.153081814918  -0.099836571369  -0.033360085730  -0.193110993688  0.000761536131  0.002749879031  0.002598899124
  29  Al  3.940432439180  6.117392035665  6.279101782523  0.398371202277  -0.074302031730  -0.211073273570  -0.001901377160  0.001222215786  0.006554984318
  30  Al  6.112487819262  3.914831565918  6.101361361819  -0.152154998420  0.786967092467  -0.394082001634  0.000974651387  -0.002755383704  -0.000021109474
  31  Al  6.200719749911  6.023349237314  4.016800367398  -0.350090113359  0.228045190318  0.022816217935  0.003410263613  -0.001038983741  -0.001922153259


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)
  -65.508757604966  -0.020712624194  1.576024994664
  -0.020712624194  -67.393062335185  -1.579650604609
  1.576024994664  -1.579650604609  -57.325745544716
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.967812152857  8.055571935601  8.008363967761  0.438533959558  0.013647833119  -0.011365124614  -0.003124639155  -0.001550841338  -0.004150958541
  1  Al  8.048798765925  1.932584717131  1.879935158505  0.225610755131  0.270554625849  0.113828477621  -0.000612444093  -0.002364573068  -0.005274215011
  2  Al  1.940959901069  7.966052565248  1.964804639677  -0.014669105983  0.725501271443  0.295511798960  -0.002967834211  -0.003001332751  -0.000972642487
  3  Al  1.927729591013  1.974302720587  8.048116659381  -0.020458371356  -0.051726609778  0.096514592224  -0.003777089512  -0.002211034386  -0.002665090375
  4  Al  0.045837242513  7.992149651378  4.238663365553  0.124771121495  0.318708354483  -0.786814274168  0.002758452914  -0.003182858916  0.003960659983
  5  Al  0.019334883205  2.014718056575  6.146206878078  -0.029531905722  -0.086440179476  -0.359560716205  0.000667579300  -0.000878658409  0.001368463657
  6  Al  1.977392231236  0.002816812346  6.052041075490  0.194244742285  -0.017409512726  0.225834811666  -0.001631141125  0.001041655671  -0.000017653526
  7  Al  2.008808340204  2.043773044936  4.142343094002  -0.047489307182  -0.147273193459  -0.284006804911  -0.000911488857  -0.000051502662  0.003002388607
  8  Al  8.035742287094  4.167597970368  7.924230467912  0.041885457842  -0.320381884558  0.491123628244  -0.002434310460  0.002996665298  -0.004793502023
  9  Al  0.042305889875  6.054718733613  2.023126863554  -0.196793784089  -0.010146325406  0.011661060030  0.001053495933  -0.000849781878  0.000413298825
  10  Al  2.097329899428  3.935122153654  2.029551907168  -0.359835118392  0.292838846560  0.341369695527  0.001357833445  -0.001952922437  0.001930672628
  11  Al  2.043888125324  6.123031337922  0.174663808175  -0.088490082719  -0.173816304279  -0.472136914968  -0.000048287373  0.001456933823  0.005977693194
  12  Al  8.050624173676  4.098540992216  3.948243694151  0.389120060233  -0.326160728689  0.224348012607  0.000147481279  0.000960066414  -0.002485301140
  13  Al  0.008189523045  6.024262988255  5.958439241953  -0.100119157832  0.023634974691  0.441339265386  -0.000118498593  -0.001810203725  -0.002827445987
  14  Al  1.985873599076  3.974757680557  6.113089862206  0.008962610706  0.133666477868  -0.316048355165  -0.001944432811  -0.003237545859  0.000008498340
  15  Al  2.131582718507  6.081892980312  3.907201375406  -0.462338949769  -0.231853732176  0.612529598500  0.001809912537  -0.000753651547  -0.003875375170
  16  Al  4.217345491254  0.171378912962  0.018500539062  -0.114936141190  -0.492736621870  0.132775878904  0.006098524848  0.005129523016  0.001918506509
  17  Al  3.885602318116  1.883664814170  2.000521700105  0.417481075162  0.294656906687  0.147400097846  -0.004038813903  -0.004192885699  -0.000642406026
  18  Al  6.176024645481  7.954296263955  1.864288892575  -0.232412763749  0.602947985947  0.489740295963  0.002117514339  -0.004056451969  -0.004395705295
  19  Al  6.107066842784  2.161675207637  7.899638069180  -0.096524659837  -0.684062849788  0.919776522092  0.000098601085  0.002354112093  -0.005015191583
  20  Al  4.085225923558  0.155576083429  4.063759506747  -0.234074239115  -0.458946264056  0.110195442657  0.000218634906  0.003653511491  0.000580206427
  21  Al  4.093644487209  1.986807200510  6.130121153106  -0.072350194459  0.245103869839  -0.025471433205  0.001697868105  -0.000340426056  0.002697672545
  22  Al  6.077173032182  0.043669367341  6.107918480616  -0.138703963051  -0.000483045394  0.051808720723  -0.000197229802  0.002707480516  0.001843272495
  23  Al  6.192399355463  2.051916030444  4.030736292036  -0.214702309827  0.001521138494  0.050913052703  0.003209051066  0.001001641465  0.000466343321
  24  Al  4.097872556330  4.021480784068  0.154756832733  -0.001059657186  0.042946086431  -0.742439161839  0.002366225327  -0.001350428459  0.002825600102
  25  Al  4.001722397043  6.234064820382  2.165468479302  0.423906401234  -0.173878314837  -0.513310043256  -0.000354780981  0.005114846186  0.003356533360
  26  Al  5.991073394460  4.180208647008  1.924169868351  0.404326961661  -0.429914121200  0.478429189934  -0.002068136893  0.004002711758  -0.002119285617
  27  Al  6.006518465204  6.135049088328  0.127122359668  -0.029431133175  -0.292090254075  -0.940440562819  -0.002623697147  0.001019130481  0.001716713385
  28  Al  4.081184677695  4.123929590488  4.154372632489  -0.104066864872  -0.034815705238  -0.191759945223  0.000753504447  0.002781425043  0.002599673180
  29  Al  3.939499557649  6.117999822284  6.282369839782  0.393564999417  -0.073255887360  -0.212103460740  -0.001855691611  0.001225610334  0.006606558835
  30  Al  6.112968343682  3.913489051213  6.101333191758  -0.152588066686  0.806642947177  -0.409215925643  0.000960404683  -0.002648761665  -0.000094198515
  31  Al  6.202409232815  6.022839938982  4.015840310645  -0.351832368536  0.233020215779  0.029572581166  0.003393435431  -0.001011452763  -0.001943774739


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)
  -64.994922832127  -0.003486022295  1.672260038803
  -0.003486022295  -66.880749157402  -1.525484031310
  1.672260038803  -1.525484031310  -56.740645840390
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.966269435590  8.054797124986  8.006287980473  0.444011200185  0.012731819340  -0.004324262475  -0.003088308881  -0.001570125307  -0.004210396419
  1  Al  8.048502628598  1.931414524291  1.877303139091  0.222265750295  0.275605501693  0.116726869154  -0.000580404433  -0.002348112658  -0.005327030243
  2  Al  1.939475328260  7.964584328518  1.964331527705  -0.016602661798  0.745440390606  0.298681277491  -0.003012148737  -0.002909941676  -0.000932373705
  3  Al  1.925840131775  1.973194891233  8.046788428361  -0.018001684911  -0.050844020807  0.109070638070  -0.003833366163  -0.002251234693  -0.002683702823
  4  Al  0.047222046194  7.990572468069  4.240608525230  0.117498656906  0.327416499449  -0.798774557655  0.002818967742  -0.003168773557  0.003872284271
  5  Al  0.019667352789  2.014274863525  6.146875037671  -0.034666534910  -0.085257323470  -0.366457444916  0.000671090178  -0.000906503099  0.001321777268
  6  Al  1.976585343344  0.003336861982  6.052042343461  0.205203436087  -0.027631553302  0.232169954997  -0.001617729200  0.001052131399  0.000023617307
  7  Al  2.008350473021  2.043740710546  4.143831593304  -0.045611848570  -0.147745972506  -0.294011728238  -0.000932667738  -0.000078965609  0.002991954667
  8  Al  8.034527004129  4.169081982062  7.921855669950  0.044293354107  -0.324803518586  0.500111121483  -0.002460521469  0.002980062774  -0.004770643947
  9  Al  0.042823841231  6.054293389136  2.023334034211  -0.204751244618  -0.010325873623  0.006425437010  0.001031820503  -0.000863514590  0.000420714793
  10  Al  2.097992731650  3.934158782226  2.030532502585  -0.363869280322  0.285446105273  0.339677170582  0.001311208223  -0.001927796539  0.002019392630
  11  Al  2.043860026162  6.123752035307  0.177631550422  -0.084534668325  -0.182384707401  -0.493160674841  -0.000064646739  0.001445007401  0.005973737076
  12  Al  8.050715307842  4.099006446155  3.947011071856  0.387176888161  -0.335552806583  0.223845398661  0.000219912902  0.000913501217  -0.002479408642
  13  Al  0.008125798458  6.023358942868  5.957045246666  -0.102320355237  0.023575880936  0.450975516271  -0.000138505674  -0.001831224337  -0.002786076405
  14  Al  1.984901783296  3.973144882471  6.113079984128  0.014239667969  0.144863649545  -0.317305145661  -0.001969505816  -0.003257546837  -0.000048795596
  15  Al  2.132467008391  6.081505790760  3.905291067673  -0.466179355502  -0.235555626354  0.630621084150  0.001751039647  -0.000806554999  -0.003816849074
  16  Al  4.220389616074  0.173921649321  0.019465727350  -0.119641212492  -0.507009863767  0.126822970109  0.006162496414  0.005110589741  0.001968852729
  17  Al  3.883601572418  1.881581542378  2.000207085823  0.420077129847  0.301291408914  0.152187741894  -0.004019338557  -0.004197465368  -0.000624227313
  18  Al  6.177073013884  7.952294989528  1.862112931143  -0.227542551280  0.622841014473  0.501635822013  0.002105415286  -0.004002030499  -0.004367274619
  19  Al  6.107111828709  2.162821686320  7.897171587068  -0.090163720376  -0.693276858782  0.945643243644  0.000083056107  0.002262160074  -0.004916188148
  20  Al  4.085324777976  0.157382324442  4.064054535657  -0.233130222325  -0.461373427949  0.116800822982  0.000179339138  0.003621148760  0.000608892583
  21  Al  4.094490187233  1.986647943537  6.131468850815  -0.076446225439  0.247986179792  -0.032737451688  0.001708110057  -0.000300485999  0.002730099860
  22  Al  6.077068217264  0.045023086008  6.108842432694  -0.144471913833  -0.009711039712  0.046755869555  -0.000225655917  0.002744397395  0.001877969655
  23  Al  6.193994283880  2.052416919171  4.030971739491  -0.214782574601  0.002108735274  0.043071484458  0.003214969926  0.001015969898  0.000481380726
  24  Al  4.099055621627  4.020807489513  0.156136446020  -0.008244742209  0.047054923694  -0.753023075423  0.002398453319  -0.001361144171  0.002729530149
  25  Al  4.001563955016  6.236614471177  2.167123801207  0.434726916465  -0.173847204890  -0.523520994526  -0.000281905510  0.005154812677  0.003309458319
  26  Al  5.990057399284  4.182190785881  1.923131611155  0.415839322749  -0.444224816537  0.489002025912  -0.002022695039  0.003979415834  -0.002061209257
  27  Al  6.005205301070  6.135545597239  0.127938679006  -0.031062519503  -0.296975289704  -0.962191295183  -0.002665850788  0.000979976241  0.001568235712
  28  Al  4.081556778167  4.125318746760  4.155663897478  -0.103306813453  -0.037484457828  -0.189385719297  0.000745237595  0.002813745563  0.002601456992
  29  Al  3.938589304058  6.118609352939  6.285663638252  0.392999679188  -0.073354492572  -0.210361664893  -0.001810326471  0.001229449963  0.006660599117
  30  Al  6.113441725392  3.912200727030  6.101267800696  -0.155983920578  0.824904969544  -0.421730185781  0.000945856059  -0.002537884140  -0.000170839314
  31  Al  6.204090223750  6.022344628520  4.014869745159  -0.357017951679  0.236091775838  0.036759752139  0.003376607197  -0.000983064857  -0.001964928861


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)
  -64.481203486493  0.013652807373  1.770385311505
  0.013652807373  -66.362526040732  -1.464861111745
  1.770385311505  -1.464861111745  -56.151599010783
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.964745128290  8.054012631440  8.004182588971  0.452340369769  0.010876546007  0.003072847830  -0.003050948579  -0.001590310147  -0.004270376998
  1  Al  8.048222361581  1.930252787429  1.874644841619  0.221610769245  0.279498257680  0.122321975038  -0.000548410655  -0.002331168685  -0.005381099973
  2  Al  1.937968511759  7.963162678597  1.963878691798  -0.020448618559  0.764068874387  0.304078590375  -0.003058337568  -0.002814449916  -0.000890978512
  3  Al  1.923922644025  1.972067001177  8.045451452368  -0.017139615821  -0.050313591791  0.121793805016  -0.003891058605  -0.002292416730  -0.002700929486
  4  Al  0.048636782213  7.989002716690  4.242508962430  0.112309804987  0.335521553579  -0.811183654240  0.002879887134  -0.003153721078  0.003781368192
  5  Al  0.020001348297  2.013817801004  6.147519545789  -0.037022406326  -0.084797272587  -0.375841976800  0.000674132260  -0.000934811480  0.001273266844
  6  Al  1.975785651264  0.003861692561  6.052064530028  0.214132826062  -0.038616613789  0.236191259333  -0.001602710091  0.001061084777  0.000066419635
  7  Al  2.007882100319  2.043694623550  4.145314428419  -0.046114434864  -0.148790194374  -0.304147498811  -0.000954246089  -0.000106975475  0.002980261547
  8  Al  8.033298723291  4.170557494849  7.919492702764  0.050088494831  -0.328206971547  0.509168767766  -0.002486949680  0.002963227176  -0.004746965301
  9  Al  0.043330599175  6.053861170279  2.023544678823  -0.209676904574  -0.009582521561  0.003288618134  0.001008915451  -0.000877597901  0.000427577663
  10  Al  2.098632070936  3.933207643295  2.031557382347  -0.369693430681  0.279227152751  0.339574042920  0.001263339681  -0.001904008471  0.002109694132
  11  Al  2.043823924124  6.124466386477  0.180596374855  -0.082471948613  -0.190699363274  -0.513076603999  -0.000080708506  0.001431726089  0.005967440940
  12  Al  8.050842570961  4.099448197674  3.945781373344  0.388322746614  -0.344259029440  0.223196721697  0.000293354709  0.000864851343  -0.002474129546
  13  Al  0.008051971938  6.022444384532  5.955672366907  -0.101694380584  0.024725094036  0.458268726485  -0.000158973174  -0.001852882822  -0.002743249712
  14  Al  1.983917666896  3.971522584405  6.113041402904  0.017459716695  0.156633594790  -0.320546963768  -0.001994635782  -0.003276528611  -0.000107323745
  15  Al  2.133321690166  6.081091984009  3.903410831672  -0.472072005034  -0.238508516958  0.648086605499  0.001690865805  -0.000861006910  -0.003755179399
  16  Al  4.223465516362  0.176454281033  0.020455822656  -0.126954074556  -0.522311826094  0.121219154851  0.006227761296  0.005089927545  0.002019337694
  17  Al  3.881610680437  1.879496277312  1.999901774904  0.419657423091  0.307297743756  0.159117884547  -0.004000349942  -0.004201967571  -0.000604876907
  18  Al  6.178115550457  7.950321815048  1.859951716774  -0.220158272491  0.641918185198  0.516010281679  0.002094758700  -0.003944258612  -0.004337101946
  19  Al  6.107149326476  2.163921777131  7.894755762907  -0.081724249346  -0.702859993265  0.971067124725  0.000068651914  0.002167737112  -0.004812301859
  20  Al  4.085404026708  0.159172275595  4.064364202904  -0.234537074074  -0.464888254144  0.123001997540  0.000139485540  0.003588652880  0.000639293379
  21  Al  4.095340825143  1.986508785430  6.132832437392  -0.083605863582  0.250001410467  -0.042035068445  0.001717885473  -0.000259605820  0.002762139160
  22  Al  6.076948931463  0.046394850625  6.109783507492  -0.148025799466  -0.020015945633  0.038971634803  -0.000255385387  0.002780724287  0.001912445227
  23  Al  6.195592168140  2.052924998379  4.031214355134  -0.212143515390  0.001349043368  0.034783388127  0.003221973615  0.001030729368  0.000495284555
  24  Al  4.100254479750  4.020129020766  0.157467551234  -0.018663890862  0.052191716007  -0.762617243725  0.002430116816  -0.001371499377  0.002630917233
  25  Al  4.001442434398  6.239184106608  2.168755129167  0.441954186725  -0.173232704251  -0.531667926381  -0.000206424830  0.005196638442  0.003260840662
  26  Al  5.989064639632  4.184160637108  1.922122864741  0.428757387977  -0.457388897207  0.501438351556  -0.001974875539  0.003954248952  -0.002000713677
  27  Al  6.003870987192  6.136022310671  0.128679787257  -0.030956829092  -0.301026089121  -0.982984278155  -0.002709379516  0.000939689357  0.001414164344
  28  Al  4.081924779187  4.126723944000  4.156956160500  -0.105759799440  -0.039156339082  -0.187683960845  0.000736877876  0.002846804814  0.002604257718
  29  Al  3.937701707767  6.119220799002  6.288984534719  0.389301480190  -0.072662724139  -0.210701810525  -0.001765135693  0.001233691917  0.006717127353
  30  Al  6.113907680996  3.910968657915  6.101163529852  -0.157296588436  0.843340832726  -0.435874587685  0.000930899790  -0.002422709428  -0.000251027857
  31  Al  6.205762568775  6.021863649309  4.013888923877  -0.359775504394  0.240666843507  0.043709795458  0.003359626786  -0.000953815023  -0.001985571736


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)
  -63.965208243478  0.033114955295  1.873531414550
  0.033114955295  -65.837433961122  -1.398205188359
  1.873531414550  -1.398205188359  -55.568352698367
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.963239873452  8.053217962544  8.002047537827  0.457421743139  0.010099656653  0.009196426159  -0.003012510703  -0.001611378810  -0.004330947141
  1  Al  8.047958062175  1.929099696558  1.871959759381  0.217344220150  0.284722201530  0.124390319440  -0.000516523005  -0.002313671428  -0.005436452018
  2  Al  1.936438428929  7.961789607243  1.963446794745  -0.020194506798  0.783444791979  0.306416947289  -0.003106199238  -0.002714757900  -0.000848481920
  3  Al  1.921976348587  1.970918543813  8.044106431764  -0.012213810228  -0.049039672128  0.133064669315  -0.003949924525  -0.002334539623  -0.002716829410
  4  Al  0.050081745988  7.987440853844  4.244363386909  0.104069857142  0.344197988195  -0.821189521321  0.002941108853  -0.003137630382  0.003687946730
  5  Al  0.020336759538  2.013346604856  6.148139379210  -0.042981444217  -0.083412354685  -0.382143826691  0.000676614070  -0.000963569263  0.001222916181
  6  Al  1.974993867878  0.004390508801  6.052108297510  0.227089968786  -0.048645243793  0.243232954458  -0.001585845450  0.001068497635  0.000110858291
  7  Al  2.007402915976  2.043634484944  4.146790963908  -0.042174138204  -0.149195780585  -0.312326625706  -0.000976036503  -0.000135545193  0.002967401104
  8  Al  8.032057487389  4.172024437703  7.917141979774  0.052346628775  -0.332874836028  0.516735211463  -0.002513582167  0.002946075185  -0.004722492321
  9  Al  0.043825684419  6.053421942993  2.023758614654  -0.217955880425  -0.009721938506  -0.002579341219  0.000984706314  -0.000892024972  0.000433818072
  10  Al  2.099247215613  3.932268120412  2.032627408251  -0.371169622232  0.271573204906  0.336363895610  0.001214398499  -0.001881558237  0.002201468522
  11  Al  2.043779883404  6.125173725328  0.183557160985  -0.076375373705  -0.199561437675  -0.535395268739  -0.000096280247  0.001417013467  0.005958550249
  12  Al  8.051006606202  4.099865235091  3.944554285384  0.385324416193  -0.353565769401  0.224041202857  0.000367754551  0.000814057418  -0.002469306483
  13  Al  0.007967939649  6.021519048324  5.954321226498  -0.104094904575  0.024757924582  0.468354118741  -0.000179932593  -0.001875158879  -0.002698838213
  14  Al  1.982921129448  3.969891321565  6.112973412698  0.024587353887  0.167607091297  -0.320493134161  -0.002019633740  -0.003294450380  -0.000167010275
  15  Al  2.134146021619  6.080650819309  3.901562211210  -0.473822597287  -0.241962075833  0.666685094545  0.001629505530  -0.000917017765  -0.003690183123
  16  Al  4.226573722208  0.178975897654  0.021470909955  -0.132247219642  -0.536272274533  0.113567138942  0.006294210184  0.005067444654  0.002069798638
  17  Al  3.879629264002  1.877409029625  1.999606448963  0.422674143398  0.314269471705  0.163183777076  -0.003981740874  -0.004206291990  -0.000584384236
  18  Al  6.179153088811  7.948378379254  1.857806231275  -0.216800017128  0.661603397365  0.527300743043  0.002085388135  -0.003883013744  -0.004305130098
  19  Al  6.107179999389  2.164974228099  7.892393018328  -0.076872120509  -0.711067779341  0.995042173983  0.000055260348  0.002070818730  -0.004703504843
  20  Al  4.085463285755  0.160945821697  4.064689347738  -0.232782686209  -0.466848414569  0.131057195431  0.000099118812  0.003555988910  0.000671568340
  21  Al  4.096196030728  1.986390157494  6.134211628020  -0.087696429148  0.252684944987  -0.048838232951  0.001727163717  -0.000217766734  0.002793795130
  22  Al  6.076814622070  0.047784318063  6.110741472124  -0.155561180223  -0.028937279835  0.033571177538  -0.000286606748  0.002816450465  0.001946648219
  23  Al  6.197193672208  2.053440423365  4.031463552217  -0.214020170034  0.001598395864  0.028349103845  0.003229863915  0.001045884896  0.000508164145
  24  Al  4.101468703889  4.019445604028  0.158748921134  -0.026223206239  0.055883817015  -0.773869592441  0.002461147454  -0.001381508370  0.002529574236
  25  Al  4.001358977176  6.241774682390  2.170361784133  0.452655883631  -0.173102363957  -0.541997439698  -0.000128273784  0.005240291210  0.003210570058
  26  Al  5.988096367163  4.186117316465  1.921144922017  0.438218733407  -0.471564475661  0.510994209479  -0.001924774766  0.003927118201  -0.001937794588
  27  Al  6.002514913675  6.136478699592  0.129342930385  -0.034224139306  -0.305989270344  -1.005153753218  -0.002754426063  0.000898211981  0.001254285617
  28  Al  4.082288490699  4.128145596132  4.158249899954  -0.104544707035  -0.042163813135  -0.184028822751  0.000728448962  0.002880550106  0.002608163693
  29  Al  3.936836541556  6.119834396963  6.292333680101  0.388855338713  -0.072652702638  -0.208456934454  -0.001720060438  0.001238333061  0.006776138184
  30  Al  6.114366099790  3.909795000233  6.101018532486  -0.162222359118  0.860438012978  -0.447161848079  0.000915368675  -0.002303187190  -0.000334736894
  31  Al  6.207426300332  6.021397499519  4.012898091821  -0.366411774958  0.243696583591  0.052087982214  0.003342296079  -0.000923665060  -0.002005564085


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)
  -63.452387909886  0.052866431843  1.977302308954
  0.052866431843  -65.307220640030  -1.325251428544
  1.977302308954  -1.325251428544  -54.980934938665
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.961754064688  8.052412724590  7.999882475333  0.466765049169  0.007626014514  0.017428684119  -0.002972815233  -0.001633379440  -0.004391985240
  1  Al  8.047709515881  1.927955587824  1.869247093574  0.216995040404  0.288079600961  0.130786769136  -0.000484692132  -0.002295610988  -0.005492955265
  2  Al  1.934884426623  7.960467247993  1.963036250512  -0.024787011884  0.800796912909  0.312390168575  -0.003155788776  -0.002610827044  -0.000804781709
  3  Al  1.920000840372  1.969749081946  8.042753965002  -0.011960694378  -0.048929307196  0.146464657166  -0.004009988202  -0.002377629925  -0.002731278163
  4  Al  0.051556952300  7.985887424179  4.246170653397  0.098618842109  0.351450519974  -0.833726392615  0.003002585106  -0.003120498554  0.003591863390
  5  Al  0.020673145318  2.012861091723  6.148733755609  -0.045187593898  -0.083476814839  -0.392258099144  0.000678529493  -0.000992824997  0.001170587990
  6  Al  1.974211095993  0.004922583193  6.052174599081  0.235001999784  -0.060250683560  0.246559785712  -0.001567163929  0.001074274475  0.000156911138
  7  Al  2.006913012556  2.043560043350  4.148260703572  -0.043588624959  -0.150848241375  -0.322808094410  -0.000998115995  -0.000164747799  0.002953264375
  8  Al  8.030803036180  4.173482595910  7.914803831491  0.059343461617  -0.335688046397  0.526195936266  -0.002540277663  0.002928593770  -0.004697078810
  9  Al  0.044308295026  6.052975495940  2.023975408394  -0.222378316275  -0.008335776970  -0.004952777167  0.000959191058  -0.000906732138  0.000439490762
  10  Al  2.099837823714  3.931339480518  2.033743177857  -0.377719489908  0.265795540025  0.336103768800  0.001164259758  -0.001860380953  0.002294721431
  11  Al  2.043728329329  6.125873311737  0.186512504134  -0.075288912119  -0.207385011816  -0.554317415638  -0.000111448189  0.001400860567  0.005947002865
  12  Al  8.051207707341  4.100256459537  3.943329646703  0.386310674082  -0.361312128946  0.222765550130  0.000443136877  0.000761138356  -0.002464955166
  13  Al  0.007873320348  6.020582575555  5.952992742652  -0.102699821529  0.026821591059  0.474398498108  -0.000201326966  -0.001897953331  -0.002652863000
  14  Al  1.981912411624  3.968251588352  6.112875581632  0.026676535493  0.179868608133  -0.323852960889  -0.002044573541  -0.003311198575  -0.000227905205
  15  Al  2.134939594685  6.080181494809  3.899746920232  -0.480615712841  -0.243984565481  0.682823409656  0.001566803394  -0.000974532878  -0.003621835774
  16  Al  4.229714915897  0.181485648803  0.022510885684  -0.140839038110  -0.552144863660  0.108253025398  0.006361656027  0.005042959090  0.002120244615
  17  Al  3.877657286947  1.875319931362  1.999321551101  0.421095157326  0.319660915693  0.170899385891  -0.003963540311  -0.004210415648  -0.000562641745
  18  Al  6.180186091996  7.946466445816  1.855677236380  -0.207855119078  0.679622000635  0.542805414762  0.002077421336  -0.003818242932  -0.004271136742
  19  Al  6.107204193407  2.165977852990  7.890085743934  -0.066884890940  -0.720287801527  1.020023278685  0.000043029908  0.001971321601  -0.004589631736
  20  Al  4.085502439859  0.162702948196  4.065030990118  -0.234274593713  -0.470732115169  0.136704743264  0.000058204678  0.003523041073  0.000705696010
  21  Al  4.097055692587  1.986292569053  6.135606342533  -0.095722737465  0.253709844694  -0.059146430718  0.001735830821  -0.000175022656  0.002824932176
  22  Al  6.076664365167  0.049191249810  6.111716296853  -0.157862750518  -0.039709672068  0.023992111582  -0.000319236256  0.002851487725  0.001980390314
  23  Al  6.198799037541  2.053963437261  4.031718901484  -0.210136524795  -0.000038534519  0.019534897118  0.003238710184  0.001061349778  0.000519952834
  24  Al  4.102698105448  4.018757347830  0.159979116560  -0.037993934823  0.061394715003  -0.781940264340  0.002491380950  -0.001391110791  0.002425509257
  25  Al  4.001315073839  6.244387090381  2.171942842071  0.458657660566  -0.171679983883  -0.548994566177  -0.000047488726  0.005285792470  0.003158645632
  26  Al  5.987153568000  4.188059796803  1.920198865980  0.452076135890  -0.483497213236  0.524273821815  -0.001872217049  0.003898022125  -0.001872277244
  27  Al  6.001136170837  6.136914127972  0.129925143183  -0.032779024635  -0.309240172919  -1.024066474284  -0.002800859292  0.000855564898  0.001088593609
  28  Al  4.082648042069  4.129583986478  4.159545755778  -0.107367274316  -0.043286158336  -0.183126496506  0.000719899216  0.002915002311  0.002613071898
  29  Al  3.935993893031  6.120450315944  6.295712431243  0.383869249515  -0.071076993338  -0.209526506323  -0.001675168118  0.001243438443  0.006837501322
  30  Al  6.114816532847  3.908681867907  6.100831176065  -0.161970574384  0.878213180963  -0.461809841192  0.000899372611  -0.002179220018  -0.000422093151
  31  Al  6.209081069897  6.020946560138  4.011897638092  -0.367497165387  0.248864640672  0.058122413222  0.003324692264  -0.000892518015  -0.002024950767


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)
  -62.937192580046  0.074500998131  2.086938968050
  0.074500998131  -64.770154679581  -1.245930019362
  2.086938968050  -1.245930019362  -54.400929115975
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.960288521302  8.051596375750  7.997687261769  0.472922453367  0.006758235962  0.025462606325  -0.002931670508  -0.001656309671  -0.004453259940
  1  Al  8.047476869415  1.926820659384  1.866506462064  0.213192997634  0.293556852824  0.133398890902  -0.000452854619  -0.002276902698  -0.005550488502
  2  Al  1.933305424264  7.959197629805  1.962647823386  -0.025964124906  0.819206788682  0.314750697247  -0.003207217200  -0.002502589131  -0.000759824831
  3  Al  1.917995311632  1.968558079861  8.041394872838  -0.008058845284  -0.046934462074  0.159099657695  -0.004071302655  -0.002421605301  -0.002744080930
  4  Al  0.053062653080  7.984342884614  4.247929317822  0.090124244536  0.359708197541  -0.844791924958  0.003064259793  -0.003102278522  0.003492872813
  5  Al  0.021010390195  2.012360947840  6.149301515808  -0.050829290275  -0.081564477942  -0.398629558733  0.000679885966  -0.001022529523  0.001116202710
  6  Al  1.973438018533  0.005457027247  6.052264075784  0.246326991407  -0.070220467601  0.253465807942  -0.001546747781  0.001078376922  0.000204604499
  7  Al  2.006412006162  2.043470926588  4.149722906354  -0.041184520225  -0.150759617289  -0.332124541885  -0.001020616639  -0.000194555840  0.002937664161
  8  Al  8.029535549980  4.174931887660  7.912478812855  0.063154797229  -0.340373448051  0.535056866911  -0.002566855266  0.002910710574  -0.004670488730
  9  Al  0.044777950325  6.052521757264  2.024194932388  -0.229872544561  -0.008647223536  -0.010717750547  0.000932392252  -0.000921726564  0.000444589982
  10  Al  2.100403069667  3.930421171007  2.034905562290  -0.380139362526  0.258367030726  0.331970883702  0.001112777146  -0.001840429302  0.002389380909
  11  Al  2.043669239847  6.126564471985  0.189461227778  -0.070667432143  -0.216999848819  -0.574700649135  -0.000126343798  0.001383143193  0.005932810469
  12  Al  8.051446543727  4.100620878193  3.942107126660  0.383290479557  -0.370337664375  0.222125276251  0.000519534552  0.000706052270  -0.002461165867
  13  Al  0.007768066219  6.019634797805  5.951687516594  -0.104175865242  0.026769570326  0.483639749004  -0.000223083104  -0.001921252100  -0.002605306102
  14  Al  1.980891317285  3.966604029127  6.112747152919  0.032213656067  0.190753881878  -0.323243380981  -0.002069567028  -0.003326703456  -0.000289995042
  15  Al  2.135701513032  6.079683322348  3.897966524306  -0.483665414147  -0.247579697708  0.699080968909  0.001502565706  -0.001033590033  -0.003550200432
  16  Al  4.232889448456  0.183982447672  0.023575846863  -0.147441844966  -0.565987937636  0.101778546355  0.006429892548  0.005016340525  0.002170758996
  17  Al  3.875694339593  1.873229012266  1.999047869370  0.422887755932  0.327230455704  0.175115186413  -0.003945778331  -0.004214197955  -0.000539597508
  18  Al  6.181215511615  7.944587703209  1.853565931216  -0.202300172059  0.698448031888  0.554776912197  0.002071033414  -0.003749869654  -0.004234930726
  19  Al  6.107222718630  2.166931317185  7.887836522739  -0.059980563793  -0.727261715585  1.044276472355  0.000032158401  0.001869241066  -0.004470445233
  20  Al  4.085521070208  0.164443427177  4.065389948775  -0.232552741477  -0.472551723139  0.143142481583  0.000016715033  0.003489734039  0.000741556115
  21  Al  4.097919329226  1.986216398464  6.137016164797  -0.100877760884  0.256603325302  -0.066193824252  0.001743749470  -0.000131321012  0.002855475496
  22  Al  6.076497690631  0.050615218664  6.112707564449  -0.163590086102  -0.048518962293  0.017421381400  -0.000353136968  0.002885792041  0.002013531609
  23  Al  6.200408999606  2.054494110428  4.031979751104  -0.210198754937  0.000396118837  0.011755219252  0.003248629289  0.001077129988  0.000530506449
  24  Al  4.103942097607  4.018064536756  0.161156918740  -0.047241455207  0.065096043056  -0.790843797339  0.002520613750  -0.001400275418  0.002318805730
  25  Al  4.001311831308  6.247022312583  2.173497625028  0.467896113104  -0.171815611929  -0.558933045467  0.000035868939  0.005333056479  0.003104994456
  26  Al  5.986237667116  4.189987195714  1.919286162209  0.462686488827  -0.496981224192  0.534193054422  -0.001817003536  0.003866904362  -0.001804026949
  27  Al  5.999734275980  6.137328087496  0.130423664584  -0.034257362085  -0.314238343767  -1.043301572064  -0.002848498944  0.000811693784  0.000917182109
  28  Al  4.083003192399  4.131039552758  4.160844106039  -0.106623321987  -0.046263812095  -0.181080634562  0.000711166259  0.002950129146  0.002618800368
  29  Al  3.935173467789  6.121068858049  6.299121816144  0.382052649079  -0.071423783983  -0.207456400672  -0.001630534579  0.001248959461  0.006901121607
  30  Al  6.115258979126  3.907631513712  6.100599486756  -0.165005776562  0.893991340640  -0.473109019105  0.000883051873  -0.002050769607  -0.000513177161
  31  Al  6.210726989038  6.020511425291  4.010887760759  -0.372121387370  0.251574148649  0.064615440835  0.003306919916  -0.000860358063  -0.002043860474


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)
  -62.423739563515  0.097735651141  2.197795860043
  0.097735651141  -64.229251500705  -1.159709264076
  2.197795860043  -1.159709264076  -53.819986004926
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.958843825511  8.050768523005  7.995461769969  0.480474301219  0.005286549464  0.033576307891  -0.002889138902  -0.001680064169  -0.004514709155
  1  Al  8.047259971756  1.925695329921  1.863737180695  0.210719923604  0.297722258886  0.138462379638  -0.000421182167  -0.002257407174  -0.005609086411
  2  Al  1.931700655077  7.957982953489  1.962281980213  -0.028906535526  0.836579190744  0.319442402478  -0.003260309869  -0.002389885484  -0.000713676539
  3  Al  1.915959300077  1.967345179257  8.040029944070  -0.005877139038  -0.045674440519  0.171882234882  -0.004133643638  -0.002466336847  -0.002755213349
  4  Al  0.054598811497  7.982807824179  4.249637992334  0.082315684365  0.367515724135  -0.856037098166  0.003125876144  -0.003082829343  0.003390937872
  5  Al  0.021348061127  2.011846037176  6.149841798565  -0.055291916590  -0.080818370585  -0.407354032366  0.000680455922  -0.001052603884  0.001059812348
  6  Al  1.972675655370  0.005993076878  6.052377707863  0.255541664801  -0.080709930509  0.258008791040  -0.001524411841  0.001080858912  0.000254085333
  7  Al  2.005899856910  2.043366909768  4.151176892588  -0.041046172244  -0.151764827641  -0.341578008807  -0.001043389263  -0.000224925702  0.002920602039
  8  Al  8.028254945344  4.176372028376  7.910167485340  0.068855135008  -0.344365817207  0.543894982046  -0.002593383799  0.002892242627  -0.004642649416
  9  Al  0.045233871231  6.052060507455  2.024416748300  -0.235974653227  -0.007814747713  -0.014232217032  0.000904108542  -0.000937047787  0.000448995613
  10  Al  2.100942466148  3.929512505269  2.036115091723  -0.384441876914  0.251631539014  0.329479068667  0.001060092262  -0.001821761370  0.002485245911
  11  Al  2.043602909140  6.127246343766  0.192401944100  -0.067903188672  -0.225793474935  -0.594089912075  -0.000140813125  0.001363713428  0.005915756113
  12  Al  8.051723443950  4.100957350368  3.940886472646  0.381844060370  -0.378650747073  0.221464209082  0.000596757079  0.000648680725  -0.002457836022
  13  Al  0.007651868044  6.018675368345  5.950406482066  -0.104235919351  0.028277047224  0.490401058251  -0.000245341101  -0.001945079177  -0.002556005227
  14  Al  1.979857973710  3.964949204029  6.112587706535  0.035594994714  0.202014653098  -0.324550786214  -0.002094461048  -0.003340969652  -0.000353126573
  15  Al  2.136431176215  6.079155460607  3.896222672757  -0.488693464606  -0.249921547994  0.714705531570  0.001436874479  -0.001094239104  -0.003475171862
  16  Al  4.236097804133  0.186465318477  0.024665775825  -0.155252411665  -0.580657046588  0.095444795317  0.006498885207  0.004987547069  0.002221220182
  17  Al  3.873740353358  1.871136540372  1.998785898201  0.422931106157  0.333657396871  0.181522307245  -0.003928221720  -0.004217448810  -0.000515330947
  18  Al  6.182241985577  7.942743988758  1.851473264181  -0.194459667548  0.716558831517  0.569075306526  0.002066100263  -0.003677725723  -0.004196483027
  19  Al  6.107236116721  2.167833429380  7.885647978906  -0.050935443064  -0.734844342481  1.067802387814  0.000022576266  0.001764610724  -0.004345858548
  20  Al  4.085519032700  0.166167171304  4.065767125250  -0.231817309914  -0.475138154768  0.149307700658  -0.000025171347  0.003456092174  0.000779217764
  21  Al  4.098786694761  1.986162208034  6.138440943705  -0.107384478273  0.258102167655  -0.075385939538  0.001751010858  -0.000086586456  0.002885465451
  22  Al  6.076313809729  0.052055945904  6.113715108983  -0.167059064267  -0.057988734231  0.008107768975  -0.000388437863  0.002919419250  0.002046054514
  23  Al  6.202023918442  2.055032693128  4.032245529782  -0.207865843915  -0.000937942962  0.003795669519  0.003259428865  0.001093239595  0.000539876037
  24  Al  4.105200292806  4.017367308817  0.162280971172  -0.058120270020  0.069399147930  -0.798793767527  0.002548866652  -0.001409077767  0.002209347356
  25  Al  4.001350680566  6.249681160726  2.175025138150  0.475066534860  -0.170765095880  -0.566658287176  0.000121971861  0.005381975428  0.003049437993
  26  Al  5.985349847267  4.191898433013  1.918408026972  0.474955315788  -0.509459581825  0.545873808307  -0.001759179651  0.003833589605  -0.001733084683
  27  Al  5.998308495217  6.137719888048  0.130835620434  -0.033808755895  -0.317901028789  -1.061447880437  -0.002897407594  0.000766509971  0.000739955541
  28  Al  4.083354009505  4.132512549355  4.162145411984  -0.107541421938  -0.048523550549  -0.179630187801  0.000702401557  0.002985785027  0.002625355751
  29  Al  3.934375278115  6.121690145162  6.302563103721  0.378424222937  -0.070415315529  -0.207444434037  -0.001585989364  0.001254825426  0.006967001827
  30  Al  6.115693129364  3.906646090000  6.100321750373  -0.165820755394  0.909416701133  -0.485969660213  0.000866279806  -0.001917892615  -0.000607902889
  31  Al  6.212363815303  6.020092491533  4.009868718809  -0.374286655762  0.255983490107  0.070925501480  0.003288799927  -0.000827208896  -0.002062222796


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)
  -61.908968088269  0.122642469421  2.313475495226
  0.122642469421  -63.682825898788  -1.066142649433
  2.313475495226  -1.066142649433  -53.245033680345
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.957420733089  8.049928727227  7.993205916240  0.486570137812  0.004269551912  0.040512237511  -0.002845124149  -0.001704636489  -0.004576347214
  1  Al  8.047058799777  1.924579934412  1.860938826708  0.206334019258  0.302632329668  0.140902026529  -0.000389710834  -0.002237104918  -0.005668666159
  2  Al  1.930069208031  7.956825405535  1.961939420904  -0.029206474342  0.853857545931  0.321561567590  -0.003314951473  -0.002272661029  -0.000666310032
  3  Al  1.913892215553  1.966109969203  8.038660020470  -0.000645453473  -0.043649029999  0.182889224927  -0.004196827296  -0.002511788538  -0.002764736282
  4  Al  0.056165429051  7.981282837329  4.251295196719  0.072999382700  0.375592955862  -0.864976873259  0.003187303525  -0.003062070288  0.003286096397
  5  Al  0.021685817560  2.011316122682  6.150353496160  -0.061453786128  -0.079206474559  -0.413764617093  0.000680164380  -0.001083065162  0.001001341095
  6  Al  1.971924872070  0.006529898629  6.052516283430  0.267579150000  -0.090689119441  0.264967846079  -0.001500019750  0.001081670326  0.000305394379
  7  Al  2.005376327529  2.043247663084  4.152621925193  -0.038009515301  -0.152186104398  -0.348749858059  -0.001066362822  -0.000255915980  0.002902176551
  8  Al  8.026961331244  4.177802756662  7.907870472542  0.073195342652  -0.348960678936  0.551119864818  -0.002619761366  0.002873115586  -0.004613572659
  9  Al  0.045675377519  6.051591634245  2.024640609931  -0.243262697846  -0.007553957709  -0.020108663011  0.000874306360  -0.000952631339  0.000452677777
  10  Al  2.101455327865  3.928612872423  2.037372442274  -0.385625389457  0.244426465220  0.324199079452  0.001006258311  -0.001804327781  0.002582200784
  11  Al  2.043529467329  6.127918107593  0.195333266551  -0.062473116712  -0.235203317879  -0.615494933230  -0.000154777356  0.001342525977  0.005895559196
  12  Al  8.052038890781  4.101264765178  3.939667454006  0.378303725835  -0.387243566454  0.222498072148  0.000674778853  0.000588995881  -0.002454761729
  13  Al  0.007524538185  6.017704092731  5.949150400203  -0.105575741302  0.028974380194  0.499438914284  -0.000268097091  -0.001969335868  -0.002504877396
  14  Al  1.978812334269  3.963287749185  6.112396635945  0.041704870924  0.212828138182  -0.323041468158  -0.002119160226  -0.003353910467  -0.000417244541
  15  Al  2.137127769033  6.078597169652  3.894517033907  -0.490833624100  -0.252713039251  0.731427952155  0.001369736672  -0.001156423674  -0.003396552079
  16  Al  4.239340307009  0.188933136851  0.025780652264  -0.162643182634  -0.594425988861  0.087006186534  0.006568441486  0.004956426334  0.002271411909
  17  Al  3.871795147366  1.869042730332  1.998536346710  0.424769676104  0.341000300937  0.185595207511  -0.003910771571  -0.004220082316  -0.000489817095
  18  Al  6.183266343431  7.940937155818  1.849400460129  -0.189099381492  0.734724839473  0.580875148048  0.002062576073  -0.003601705621  -0.004155664841
  19  Al  6.107245128058  2.168682887465  7.883522780014  -0.044320613495  -0.741148093174  1.089415781945  0.000014273347  0.001657379803  -0.004215889676
  20  Al  4.085496084876  0.167873978887  4.066163408132  -0.229413200128  -0.476892952556  0.157392670272  -0.000067410529  0.003422024743  0.000818850663
  21  Al  4.099657400143  1.986130451880  6.139880306706  -0.112896091436  0.260200126717  -0.082323390296  0.001757533584  -0.000040860080  0.002914844636
  22  Al  6.076112123318  0.053513063454  6.114738498654  -0.173203781666  -0.066823096339  0.000497457524  -0.000425199459  0.002952298110  0.002077816862
  23  Al  6.203644341346  2.055579271000  4.032515637466  -0.208393998639  -0.001595310906  -0.002363201685  0.003271006386  0.001109563550  0.000548180851
  24  Al  4.106472128177  4.016665872050  0.163349939056  -0.068173140585  0.072909802404  -0.808388694793  0.002576000139  -0.001417499091  0.002096944762
  25  Al  4.001432901799  6.252364515302  2.176524527725  0.483545693435  -0.170313558321  -0.576063332530  0.000210815664  0.005432515507  0.002991907267
  26  Al  5.984491487774  4.193792455156  1.917565884993  0.484482900706  -0.522289554635  0.555198687180  -0.001698745320  0.003798003600  -0.001659401491
  27  Al  5.996858280180  6.138088932972  0.131158151866  -0.035629915091  -0.322165309500  -1.080834401693  -0.002947581962  0.000720028562  0.000556741491
  28  Al  4.083700403220  4.134003272883  4.163450060455  -0.106646581808  -0.051479136092  -0.176252138933  0.000693599138  0.003021920302  0.002632811563
  29  Al  3.933599198860  6.122314410336  6.306037331943  0.376249566063  -0.070055003875  -0.205580492325  -0.001541515562  0.001261077919  0.007035013068
  30  Al  6.116118857138  3.905727794291  6.099996076259  -0.169104475004  0.923825110378  -0.496403166982  0.000849001574  -0.001780561251  -0.000706261015
  31  Al  6.213991484788  6.019690329455  4.008840777755  -0.379124304848  0.259351746007  0.078847307537  0.003270224721  -0.000792966308  -0.002079856688


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)
  -61.397970982602  0.148727288730  2.428879555306
  0.148727288730  -63.133347619745  -0.965700897635
  2.428879555306  -0.965700897635  -52.668912974409
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.956019920524  8.049076599830  7.990919553515  0.495590310742  0.001580818636  0.049529738083  -0.002799389359  -0.001730113884  -0.004637998064
  1  Al  8.046873167417  1.923474909509  1.858110791898  0.204802234441  0.306649952029  0.148091692281  -0.000358340747  -0.002215936957  -0.005728925489
  2  Al  1.928410426775  7.955727242146  1.961620639574  -0.032385482422  0.869063315710  0.327801138922  -0.003371119444  -0.002150958068  -0.000617537927
  3  Al  1.911793773053  1.964852123838  8.037285827411  0.001399590347  -0.041954429904  0.196289341130  -0.004260791700  -0.002557881658  -0.002772503595
  4  Al  0.057762343860  7.979768591055  4.252899580763  0.065334357697  0.381932102981  -0.876550092943  0.003248489251  -0.003040034188  0.003178167117
  5  Al  0.022023152788  2.010771049600  6.150835671578  -0.065190421050  -0.078432849071  -0.424240443633  0.000679047305  -0.001113897829  0.000940558907
  6  Al  1.971186822887  0.007066680022  6.052680824587  0.276077150857  -0.102383319647  0.267551800651  -0.001473562183  0.001080649961  0.000358387148
  7  Al  2.004841447107  2.043112902429  4.154057424476  -0.038489833455  -0.153157431606  -0.358631271331  -0.001089576123  -0.000287534586  0.002882252109
  8  Al  8.025654722367  4.179223716038  7.905588321072  0.080978876751  -0.351804801111  0.560368631437  -0.002645738866  0.002853348205  -0.004583081633
  9  Al  0.046101656945  6.051114980916  2.024866049970  -0.248097369147  -0.006608385105  -0.021928711449  0.000843048586  -0.000968451478  0.000455769032
  10  Al  2.101941219704  3.927721634308  2.038678034248  -0.390094084825  0.238955752062  0.322225843846  0.000951204392  -0.001787983851  0.002680270214
  11  Al  2.043449286125  6.128578857078  0.198253533747  -0.060266690302  -0.244335983605  -0.633278563047  -0.000168279131  0.001319484928  0.005872167568
  12  Al  8.052393190248  4.101541953470  3.938450018725  0.377335745555  -0.394104027954  0.221203427883  0.000753658573  0.000527064777  -0.002451943310
  13  Al  0.007385770442  6.016720719941  5.947920286245  -0.104049859190  0.031067885041  0.503750369315  -0.000291213875  -0.001993933264  -0.002452042664
  14  Al  1.977754618349  3.961620307293  6.112173573837  0.044341686404  0.225136702831  -0.325328212024  -0.002143683324  -0.003365331436  -0.000482458787
  15  Al  2.137790697283  6.078007661633  3.892851452433  -0.496181000354  -0.254593441252  0.745670121987  0.001301050662  -0.001220112544  -0.003314308505
  16  Al  4.242617257661  0.191384779390  0.026920247364  -0.172326730730  -0.610154134617  0.081141159255  0.006638256136  0.004922717076  0.002321329452
  17  Al  3.869858748633  1.866947931765  1.998299734201  0.423196212846  0.347318904050  0.193748636165  -0.003893475774  -0.004221995868  -0.000462859958
  18  Al  6.184289178794  7.939169144944  1.847348592619  -0.180124806933  0.750850998219  0.597365360572  0.002060533709  -0.003521822695  -0.004112128680
  19  Al  6.107250283616  2.169478448313  7.881463531670  -0.034239989120  -0.747602925558  1.111856849346  0.000007360703  0.001547543248  -0.004080418637
  20  Al  4.085452124924  0.169563674315  4.066579868859  -0.229257940138  -0.480471424036  0.162765059768  -0.000110069541  0.003387342554  0.000860402797
  21  Al  4.100531120520  1.986121652692  6.141334049198  -0.120844744522  0.261273610054  -0.093340652772  0.001763133966  0.000005847169  0.002943373865
  22  Al  6.075891781442  0.054986225540  6.115777429322  -0.175789453682  -0.077195073871  -0.011726075411  -0.000463362688  0.002984271067  0.002108499887
  23  Al  6.205270529402  2.056133981465  4.032789622257  -0.204987297770  -0.003485406077  -0.010926652482  0.003283393734  0.001126031510  0.000555338459
  24  Al  4.107757080932  4.015960381547  0.164362276753  -0.081189248447  0.078380876375  -0.814354979118  0.002601746693  -0.001425394863  0.001981653231
  25  Al  4.001559923950  6.255073160100  2.177994731535  0.488677121541  -0.169218756506  -0.581722725748  0.000302274308  0.005484584732  0.002932471655
  26  Al  5.983663771325  4.195668110801  1.916761001430  0.496927015780  -0.532705101404  0.568527994193  -0.001635587841  0.003760196642  -0.001582726589
  27  Al  5.995382896555  6.138434546579  0.131388209702  -0.034429372254  -0.325435642884  -1.096278232547  -0.002998913336  0.000672235966  0.000367634048
  28  Al  4.084042435725  4.135511931936  4.164758587829  -0.108732295117  -0.052595542577  -0.175878540267  0.000684633193  0.003058580919  0.002641020998
  29  Al  3.932845259299  6.122941817862  6.309545649103  0.370691603918  -0.068713252243  -0.207339065657  -0.001497240313  0.001267723680  0.007104871442
  30  Al  6.116535799016  3.904878808316  6.099620756709  -0.168790745163  0.938656431210  -0.510397828137  0.000831286686  -0.001638683120  -0.000808417317
  31  Al  6.215609650429  6.019305439231  4.007804373858  -0.379884542256  0.264084579828  0.084034881733  0.003251229852  -0.000757556146  -0.002096806260


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)
  -60.886499025331  0.176976667113  2.550717189076
  0.176976667113  -62.580027625574  -0.858661042172
  2.550717189076  -0.858661042172  -52.101930565642
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.954642378554  8.048211613550  7.988602768444  0.502000271127  0.000820155436  0.057470123861  -0.002751796671  -0.001756446514  -0.004699460924
  1  Al  8.046703151629  1.922380648173  1.855252948799  0.200193449864  0.311314213495  0.150697710554  -0.000327077945  -0.002193849678  -0.005789720904
  2  Al  1.926723419434  7.954690609929  1.961326523204  -0.033494253209  0.885532460308  0.329781927656  -0.003428833098  -0.002024700182  -0.000567325137
  3  Al  1.909663439764  1.963571307661  8.035908349677  0.006032503067  -0.039715573338  0.207826960074  -0.004325503785  -0.002604548554  -0.002778368696
  4  Al  0.059389508908  7.978265646188  4.254449482848  0.055141011517  0.389870505641  -0.885514655597  0.003309276717  -0.003016629518  0.003066994957
  5  Al  0.022359762452  2.010210594765  6.151286987636  -0.071733191463  -0.077116416200  -0.430455111381  0.000677039338  -0.001145111257  0.000877411102
  6  Al  1.970462382345  0.007602428504  6.052871977630  0.286793313253  -0.111947109884  0.274453488266  -0.001445083239  0.001077778733  0.000413085486
  7  Al  2.004294938563  2.042962289055  4.155482519841  -0.036432721003  -0.153891377006  -0.366044288767  -0.001113097722  -0.000319818325  0.002860703873
  8  Al  8.024335472660  4.180634664592  7.903321828532  0.086122388867  -0.356759881530  0.568160316941  -0.002671172760  0.002832818810  -0.004550976302
  9  Al  0.046512091374  6.050630459785  2.025092954281  -0.255297374431  -0.005859516529  -0.027777887991  0.000810292375  -0.000984445196  0.000458251399
  10  Al  2.102399384835  3.926838323619  2.040032572734  -0.391718731496  0.231548488452  0.315733121085  0.000894835609  -0.001772714260  0.002779310325
  11  Al  2.043362452660  6.129227677811  0.201161310207  -0.055790404492  -0.253733234569  -0.653417663008  -0.000181396209  0.001294523580  0.005845487694
  12  Al  8.052786886306  4.101787869550  3.937233934784  0.373053157624  -0.402547422163  0.221480882766  0.000833338035  0.000462840168  -0.002449388183
  13  Al  0.007235512514  6.015725142032  5.946716782373  -0.105042347697  0.032468529944  0.512104307833  -0.000314662437  -0.002018765165  -0.002397461692
  14  Al  1.976684758744  3.959947705104  6.111917802390  0.049375332240  0.235438180484  -0.322848942735  -0.002168073780  -0.003375169341  -0.000548698495
  15  Al  2.138419043501  6.077386225126  3.891227629367  -0.499052407000  -0.256612130807  0.760545153938  0.001230678222  -0.001285239313  -0.003228449358
  16  Al  4.245928682786  0.193818864258  0.028084539070  -0.180453040878  -0.623506114419  0.073120387272  0.006708105495  0.004886280942  0.002370955406
  17  Al  3.867930927464  1.864852458861  1.998076964716  0.424491363421  0.354499330444  0.197767254627  -0.003876279968  -0.004223082314  -0.000434424699
  18  Al  6.185311394134  7.937441796366  1.845319230295  -0.173175623129  0.768278066240  0.609393794565  0.002060085439  -0.003437975889  -0.004065694989
  19  Al  6.107252433453  2.170218802355  7.879473021952  -0.026052615835  -0.753037479978  1.132685446791  0.000002000829  0.001435077111  -0.003939297482
  20  Al  4.085386842407  0.171235868692  4.067017345798  -0.226228926706  -0.481707176312  0.170050851652  -0.000153103779  0.003351987067  0.000903816763
  21  Al  4.101407285787  1.986136255113  6.142801563837  -0.126635640883  0.262857613125  -0.100450271730  0.001767727171  0.000053512928  0.002970952655
  22  Al  6.075652242372  0.056474910481  6.116831155114  -0.180517754323  -0.085435396539  -0.020486353562  -0.000502815954  0.003015305943  0.002137933260
  23  Al  6.206903063410  2.056696841423  4.033066803069  -0.204360834217  -0.004893255397  -0.017555610874  0.003296624126  0.001142551205  0.000561275391
  24  Al  4.109054325148  4.015251187712  0.165316701994  -0.092205775561  0.081491539235  -0.822331785946  0.002625934184  -0.001432757359  0.001863499913
  25  Al  4.001732904795  6.257807888449  2.179434964566  0.496173417402  -0.168232006096  -0.590708154927  0.000396309131  0.005538121121  0.002871050801
  26  Al  5.982868189864  4.197524397395  1.915995051132  0.507213052343  -0.545032161359  0.577633059223  -0.001569540788  0.003720073626  -0.001502976902
  27  Al  5.993881900906  6.138756117706  0.131523023484  -0.034777068294  -0.328982928559  -1.113138395937  -0.003051217033  0.000623149825  0.000172724382
  28  Al  4.084379892028  4.137038871393  4.166071236621  -0.107675967155  -0.055870884339  -0.173268302446  0.000675496029  0.003095672700  0.002649857993
  29  Al  3.932113208924  6.123572608244  6.313088816842  0.367704442763  -0.067973211958  -0.205503227059  -0.001453192066  0.001274771149  0.007176429597
  30  Al  6.116943897474  3.904101424361  6.099193733451  -0.170603123433  0.950950845835  -0.520201312304  0.000813236535  -0.001492308633  -0.000914372137
  31  Al  6.217218284652  6.018938465643  4.006759727057  -0.383045902283  0.267783348345  0.090797177156  0.003231871557  -0.000720903411  -0.002113114423


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)
  -60.377707374845  0.207623456859  2.671204805885
  0.207623456859  -62.024179424324  -0.743711469528
  2.671204805885  -0.743711469528  -51.535664124329
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.953288919450  8.047333426954  7.986255606876  0.510529978976  -0.001467512878  0.066346367238  -0.002702278680  -0.001783566314  -0.004760624439
  1  Al  8.046548561232  1.921297638967  1.852364824480  0.197920865272  0.315870034742  0.157370109244  -0.000295977660  -0.002170715979  -0.005850956007
  2  Al  1.925007505704  7.953717842821  1.961057601769  -0.036001124781  0.899869746027  0.335350061160  -0.003487968638  -0.001893821328  -0.000515687303
  3  Al  1.907500957523  1.962267258112  8.034528455119  0.009224842760  -0.036897324954  0.220572662693  -0.004390760490  -0.002651630698  -0.002782285500
  4  Al  0.061046612049  7.976774758501  4.255943398140  0.046378200324  0.396285436724  -0.895794721426  0.003369477304  -0.002991741222  0.002952545953
  5  Al  0.022695075673  2.009634592061  6.151706451999  -0.076535924161  -0.075512879900  -0.440259316128  0.000674010906  -0.001176608809  0.000811888588
  6  Al  1.969752660283  0.008136313875  6.053090788345  0.295720376264  -0.123150492740  0.277370195677  -0.001414468567  0.001073042373  0.000469542461
  7  Al  2.003736761173  2.042795501003  4.156896509730  -0.036472122825  -0.154304244887  -0.374880432769  -0.001136864935  -0.000352722627  0.002837519215
  8  Al  8.023003735920  4.182035126959  7.901071736942  0.094155955001  -0.360110954514  0.576595279973  -0.002695961642  0.002811388066  -0.004517174750
  9  Al  0.046905825861  6.050137975268  2.025320838319  -0.260236809084  -0.005357585251  -0.030184797866  0.000775977848  -0.001000630493  0.000460049881
  10  Al  2.102829292954  3.925962316623  2.041436341054  -0.394983811451  0.225795399930  0.312104522771  0.000837207864  -0.001758509791  0.002879123294
  11  Al  2.043269260745  6.129863597817  0.204054846520  -0.053082809409  -0.263691018824  -0.671269080077  -0.000194074069  0.001267497881  0.005815296742
  12  Al  8.053220230666  4.102001295909  3.936019140808  0.371037090583  -0.409483853639  0.220893281098  0.000913723022  0.000396257544  -0.002446967923
  13  Al  0.007073485940  6.014717210782  5.945540942405  -0.103724583216  0.034190831683  0.516503502605  -0.000338461503  -0.002043816551  -0.002341025103
  14  Al  1.975602928914  3.958270644436  6.111629021911  0.052292851268  0.247270377312  -0.323640706302  -0.002192247536  -0.003383350889  -0.000615838275
  15  Al  2.139012075149  6.076732134999  3.889647400783  -0.503467789427  -0.258591420129  0.774168317267  0.001158633503  -0.001351809043  -0.003138872977
  16  Al  4.249274669348  0.196234134230  0.029273285228  -0.190551450446  -0.638363167271  0.066256907120  0.006777776690  0.004847014142  0.002420136192
  17  Al  3.866011762091  1.862756763696  1.997868592492  0.423161682057  0.361797911378  0.205207512956  -0.003859053544  -0.004223123005  -0.000404537057
  18  Al  6.186333695965  7.935757150175  1.843313622484  -0.164239976933  0.783730550338  0.625126790940  0.002061195095  -0.003350057624  -0.004016268293
  19  Al  6.107252269324  2.170902680407  7.877554003843  -0.015949522116  -0.757786357596  1.152997719090  -0.000001781158  0.001320039413  -0.003792502425
  20  Al  4.085300178166  0.172890330088  4.067476855391  -0.225119082542  -0.484797247716  0.176007681645  -0.000196434452  0.003315894095  0.000949155618
  21  Al  4.102285488805  1.986174761218  6.144282550073  -0.134428722496  0.264186139297  -0.110784530369  0.001771263461  0.000102180640  0.002997550031
  22  Al  6.075392765317  0.057978744521  6.117899206011  -0.183291274132  -0.095170316622  -0.033172069795  -0.000543588043  0.003045367062  0.002166000814
  23  Al  6.208542240618  2.057267898299  4.033346656035  -0.201284923299  -0.006611031811  -0.025276386337  0.003310591053  0.001159109822  0.000566034645
  24  Al  4.110363170675  4.014538451675  0.166211694016  -0.105751275743  0.086248469319  -0.827888467537  0.002648421276  -0.001439604541  0.001742408857
  25  Al  4.001953238134  6.260569429100  2.180844085524  0.500837817852  -0.167589041295  -0.596203832023  0.000492920263  0.005592960559  0.002807540335
  26  Al  5.982106091710  4.199360071467  1.915269382671  0.518594125533  -0.555210466562  0.590024602696  -0.001500602907  0.003677511348  -0.001420136783
  27  Al  5.992354737867  6.139052987200  0.131559628789  -0.033488378523  -0.332367290943  -1.127420864746  -0.003104423108  0.000572715362  -0.000028004920
  28  Al  4.084712826965  4.138584210335  4.167388420586  -0.109160438324  -0.057474204417  -0.172573552564  0.000666219513  0.003133077698  0.002659289188
  29  Al  3.931403049147  6.124206955441  6.316667845720  0.362111572038  -0.066962171433  -0.207146237477  -0.001409330716  0.001282162180  0.007249535727
  30  Al  6.117342889843  3.903397777205  6.098713294571  -0.170229142586  0.963669521728  -0.532815902601  0.000794826218  -0.001341497396  -0.001024048941
  31  Al  6.218817098417  6.018589983757  4.005707228446  -0.383966196433  0.271984164904  0.096415383846  0.003212037243  -0.000683011875  -0.002128676007


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)
  -59.868466344570  0.239469671722  2.798579634768
  0.239469671722  -61.466397284656  -0.622122432599
  2.798579634768  -0.622122432599  -50.978963848567
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.951960600616  8.046441578200  7.983878260316  0.516013545649  -0.002013539240  0.073380957629  -0.002650806703  -0.001811416525  -0.004821433278
  1  Al  8.046409419394  1.920226400255  1.849446380864  0.191641664040  0.321238777820  0.158642111810  -0.000265182627  -0.002146390534  -0.005912594046
  2  Al  1.923261912148  7.952811156011  1.960814748144  -0.035414599625  0.915271473098  0.335974108881  -0.003548298009  -0.001758280183  -0.000462705935
  3  Al  1.905305989625  1.960939793466  8.033147171888  0.015617486215  -0.033627888965  0.230624370687  -0.004456288663  -0.002698968075  -0.002784278257
  4  Al  0.062733423790  7.975296601706  4.257379629415  0.034344026121  0.403962897852  -0.902476731645  0.003428822277  -0.002965280830  0.002834880534
  5  Al  0.023028659998  2.009042912258  6.152092716860  -0.084532872385  -0.073495285745  -0.445360419519  0.000669794370  -0.001208299842  0.000744026269
  6  Al  1.969058644594  0.008667330279  6.053337957923  0.307529337928  -0.132253128790  0.285294318659  -0.001381542093  0.001066422316  0.000527869475
  7  Al  2.003166698415  2.042612242345  4.158298512317  -0.032991464975  -0.154515281514  -0.380180770177  -0.001160721404  -0.000386202313  0.002812780047
  8  Al  8.021659963836  4.183424724162  7.898838923169  0.098576296545  -0.365616343974  0.583038656100  -0.002720085034  0.002788908407  -0.004481638769
  9  Al  0.047282182294  6.049637420540  2.025549514010  -0.268303572499  -0.005040959741  -0.036926727138  0.000739976599  -0.001017021923  0.000461059660
  10  Al  2.103230241251  3.925093154700  2.042889853661  -0.394594699474  0.218202695123  0.303478101397  0.000778454983  -0.001745351297  0.002979452625
  11  Al  2.043169850928  6.130485559864  0.206932489405  -0.047159231747  -0.273601835641  -0.692416976554  -0.000206170043  0.001238290038  0.005781277079
  12  Al  8.053693677401  4.102181120900  3.934805530697  0.365053825458  -0.417570819352  0.222742605849  0.000994650719  0.000327295330  -0.002444470536
  13  Al  0.006899618737  6.013696830824  5.944393517375  -0.105365775026  0.035304336421  0.525293441226  -0.000362667676  -0.002069059695  -0.002282591497
  14  Al  1.974509142617  3.956590021888  6.111306636150  0.058397678264  0.257190402138  -0.319299094850  -0.002216042426  -0.003389787476  -0.000683711106
  15  Al  2.139568887072  6.076044671534  3.888112569340  -0.504796097684  -0.260756750814  0.789131219512  0.001084990574  -0.001419824013  -0.003045414632
  16  Al  4.252655040111  0.198629106697  0.030486314984  -0.198839978959  -0.651126422590  0.056346269187  0.006847061410  0.004804781911  0.002468627428
  17  Al  3.864101150495  1.860661374430  1.997675496665  0.425528596660  0.369615946605  0.208156897978  -0.003841584948  -0.004221921097  -0.000373257214
  18  Al  6.187356952045  7.934117153836  1.841333431280  -0.158207130217  0.800453491193  0.636128533758  0.002063743699  -0.003257963607  -0.003963774328
  19  Al  6.107250665808  2.171528827336  7.875709291214  -0.008559994126  -0.761038166509  1.171193380940  -0.000004033614  0.001202539834  -0.003640061350
  20  Al  4.085191898197  0.174526606873  4.067959300680  -0.220291352641  -0.485221950133  0.184617027907  -0.000239901046  0.003279026188  0.000996545715
  21  Al  4.103165111620  1.986237660563  6.145776373061  -0.139469913338  0.265935830374  -0.116966202808  0.001773743382  0.000151882232  0.003023150304
  22  Al  6.075112778241  0.059497173973  6.118980723639  -0.189100900569  -0.102786967037  -0.042245214762  -0.000585785343  0.003074410152  0.002192592599
  23  Al  6.210188538780  2.057847157700  4.033628543512  -0.202097738882  -0.008255907921  -0.030321415074  0.003325080205  0.001175654227  0.000569725796
  24  Al  4.111682654269  4.013822504680  0.167045892128  -0.116352460693  0.088874731669  -0.836478570833  0.002669144427  -0.001445931178  0.001618217439
  25  Al  4.002222085536  6.263358418209  2.182221205595  0.508380942280  -0.166877115006  -0.605507534396  0.000592146104  0.005648940499  0.002741791727
  26  Al  5.981378971228  4.201174009433  1.914585688167  0.527367664935  -0.567296719684  0.597248199312  -0.001428817014  0.003632383220  -0.001334280547
  27  Al  5.990801029395  6.139324488183  0.131495231022  -0.034619245145  -0.336280902034  -1.143870150829  -0.003158531102  0.000520857300  -0.000234623692
  28  Al  4.085041057289  4.140148180107  4.168710351204  -0.106991282709  -0.061288864887  -0.168608631893  0.000656882301  0.003170664044  0.002669370243
  29  Al  3.930714570046  6.124845043346  6.320283354222  0.359797942393  -0.066603096265  -0.204487669840  -0.001365553059  0.001289830869  0.007324084174
  30  Al  6.117732693770  3.902770104188  6.098177453421  -0.172879171157  0.974010605280  -0.540404245476  0.000775949357  -0.001186305619  -0.001137284208
  31  Al  6.220405953887  6.018260635415  4.004647200176  -0.387681524637  0.275206758269  0.104260154963  0.003191574066  -0.000643882358  -0.002143320712


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)
  -59.364642281651  0.274466405815  2.923902151181
  0.274466405815  -60.908154060123  -0.493136002060
  2.923902151181  -0.493136002060  -50.423955613578
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.950658262884  8.045535779933  7.981470823779  0.524484307168  -0.003933764940  0.083273195480  -0.002597273379  -0.001839920584  -0.004881644314
  1  Al  8.046285394394  1.919167564245  1.846497175086  0.188675205462  0.325053532557  0.164455613163  -0.000234751508  -0.002120855911  -0.005974540484
  2  Al  1.921486180124  7.951972928224  1.960598413099  -0.037680667482  0.928574852614  0.340435390524  -0.003609711235  -0.001618040778  -0.000408445015
  3  Al  1.903078543389  1.959588806274  8.031765341586  0.019267081303  -0.031069107979  0.243735114853  -0.004521916863  -0.002746507182  -0.002784199134
  4  Al  0.064449370094  7.973832018288  4.258756729297  0.024447720814  0.410194135402  -0.912399417754  0.003487092604  -0.002937149358  0.002713891293
  5  Al  0.023359778594  2.008435477124  6.152444822544  -0.090000810685  -0.072748188912  -0.454087375303  0.000664290414  -0.001240229149  0.000673861016
  6  Al  1.968381619999  0.009194629770  6.053614645214  0.315976937736  -0.142898948709  0.288947080735  -0.001346268445  0.001057907319  0.000588147875
  7  Al  2.002584863006  2.042412234411  4.159687908397  -0.032791751193  -0.155670454146  -0.388937541405  -0.001184612073  -0.000420322878  0.002786382897
  8  Al  8.020304327644  4.184802835446  7.896624165403  0.106897588174  -0.369377510905  0.592034035325  -0.002743424187  0.002765240531  -0.004444152720
  9  Al  0.047640177520  6.049128684249  2.025778393228  -0.273386477807  -0.003484108874  -0.040073105743  0.000702225862  -0.001033496338  0.000461187378
  10  Al  2.103601830502  3.924230232634  2.044393145335  -0.397057401752  0.212174222702  0.297869017982  0.000718606859  -0.001733226207  0.003080038555
  11  Al  2.043064657906  6.131092474980  0.209792177154  -0.044462883841  -0.282849822064  -0.709075315411  -0.000217670242  0.001206892082  0.005743300265
  12  Al  8.054207320535  4.102326103300  3.933593251943  0.361763207147  -0.424177717202  0.221508361592  0.001075985888  0.000255934599  -0.002441878785
  13  Al  0.006713575087  6.012663879067  5.943275702054  -0.104071984694  0.038237894211  0.529662108311  -0.000387279078  -0.002094325169  -0.002222061304
  14  Al  1.973403731759  3.954906624468  6.110950508043  0.061436605948  0.268375941141  -0.318257472669  -0.002239374616  -0.003394407515  -0.000752143061
  15  Al  2.140088818155  6.075323103795  3.886625135905  -0.508732137901  -0.261517071134  0.800623955982  0.001009732882  -0.001489154585  -0.002948111909
  16  Al  4.256069682741  0.201002392535  0.031723147356  -0.209612872553  -0.665390176083  0.049859259493  0.006915685418  0.004759444267  0.002516378716
  17  Al  3.862199378996  1.858566935582  1.997498172596  0.424202704064  0.376342970114  0.214753140145  -0.003823752216  -0.004219380288  -0.000340627939
  18  Al  6.188381752093  7.932523952015  1.839379978833  -0.148774715486  0.815054702194  0.651111785280  0.002067735597  -0.003161604315  -0.003908111115
  19  Al  6.107248266372  2.172096079121  7.873941612461  0.002072825016  -0.765033207204  1.190569435977  -0.000004684785  0.001082568477  -0.003481856232
  20  Al  4.085062100730  0.176144430720  4.068465825852  -0.218193780948  -0.487732527940  0.189732271418  -0.000283409993  0.003241322696  0.001045913329
  21  Al  4.104045749056  1.986325488915  6.147282719865  -0.147248179182  0.266450396828  -0.126648363961  0.001775097864  0.000202556653  0.003047705710
  22  Al  6.074811432828  0.061029784509  6.120075131592  -0.191285440788  -0.111864466581  -0.055354838581  -0.000629359786  0.003102386150  0.002217581186
  23  Al  6.211842045187  2.058434615777  4.033912051054  -0.199144386423  -0.011200683297  -0.038453178262  0.003339987389  0.001192037407  0.000572277755
  24  Al  4.113012025569  4.013103511760  0.167817610556  -0.130418163798  0.093044576970  -0.840547810362  0.002687948279  -0.001451738553  0.001490959597
  25  Al  4.002540883033  6.266175429111  2.183565035490  0.512400814658  -0.165376584257  -0.611025476135  0.000693953457  0.005705985548  0.002673682639
  26  Al  5.980688135866  4.202964843083  1.913945244673  0.538225756354  -0.576905058028  0.608541036733  -0.001354140777  0.003584589032  -0.001245417989
  27  Al  5.989220216376  6.139569885197  0.131326788591  -0.032759980874  -0.338494346767  -1.155487164400  -0.003213408312  0.000467642462  -0.000446980034
  28  Al  4.085364715968  4.141730772539  4.170037499581  -0.107865691192  -0.063195644399  -0.168572245022  0.000647518488  0.003208311284  0.002679970193
  29  Al  3.930047876355  6.125486981646  6.323936255783  0.353891552600  -0.064984196514  -0.205503707449  -0.001321845799  0.001297797520  0.007399932666
  30  Al  6.118112940812  3.902220489302  6.097584655442  -0.172198180094  0.984448353447  -0.551445555858  0.000756602342  -0.001026831755  -0.001253958773
  31  Al  6.221984411696  6.017950995878  4.003580200211  -0.388056799748  0.279952007755  0.108757765323  0.003170423677  -0.000603425462  -0.002157071088


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)
  -58.860976399300  0.310830383987  3.053768057991
  0.310830383987  -60.348517509261  -0.356387370722
  3.053768057991  -0.356387370722  -49.877537195994
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.949383070454  8.044615643803  7.979033723904  0.531480451712  -0.004785851743  0.091697787670  -0.002541429730  -0.001869057652  -0.004940966906
  1  Al  8.046176452353  1.918121666066  1.843517255951  0.183683084303  0.329408513057  0.167308387675  -0.000204566652  -0.002094119681  -0.006036466936
  2  Al  1.919679640194  7.951205414797  1.960409407931  -0.038318822655  0.942320236604  0.342099296339  -0.003672220858  -0.001473134658  -0.000352779311
  3  Al  1.900818446189  1.958214163905  8.030384136891  0.024838503265  -0.028051475338  0.254707191606  -0.004587577060  -0.002794186208  -0.002781845200
  4  Al  0.066194009201  7.972381779139  4.260072891018  0.012943998617  0.417246082432  -0.919660597276  0.003544208503  -0.002907286456  0.002589392991
  5  Al  0.023687900797  2.007812110732  6.152761455510  -0.097152319969  -0.071488944778  -0.460140899704  0.000657535254  -0.001272429277  0.000601251924
  6  Al  1.967722609831  0.009717195898  6.053921634982  0.326020201012  -0.152243369222  0.295302890971  -0.001308730562  0.001047413273  0.000650244988
  7  Al  2.001991091190  2.042195114559  4.161063714477  -0.030878864764  -0.156664675871  -0.395054910216  -0.001208641822  -0.000455151013  0.002758141349
  8  Al  8.018937393834  4.186168944670  7.894428552751  0.113579561793  -0.374386749687  0.599214581289  -0.002765674799  0.002740325043  -0.004404481206
  9  Al  0.047979070174  6.048611780342  2.026007195664  -0.279795200701  -0.002150743044  -0.045786943944  0.000662828320  -0.001049929735  0.000460498280
  10  Al  2.103943385608  3.923373103642  2.045946479251  -0.397472661189  0.205026655409  0.289208630421  0.000657552905  -0.001722055964  0.003180782036
  11  Al  2.042953835310  6.131683277735  0.212632131875  -0.040185664095  -0.292201790467  -0.727940053655  -0.000228707739  0.001173284072  0.005701333358
  12  Al  8.054761484164  4.102435110008  3.932382213895  0.356542775263  -0.431590362600  0.222286854385  0.001157767700  0.000182193812  -0.002439211792
  13  Al  0.006515283567  6.011618425703  5.942188347108  -0.104134641137  0.040731652750  0.536582367500  -0.000412145719  -0.002119421435  -0.002159504039
  14  Al  1.972286790646  3.953221417019  6.110560210518  0.065999128416  0.278358393907  -0.314178834861  -0.002262305897  -0.003397070574  -0.000821140847
  15  Al  2.140570944452  6.074566836784  3.885186867553  -0.511010446987  -0.262285338402  0.813265041247  0.000932719955  -0.001559645246  -0.002847026786
  16  Al  4.259518155830  0.203352371967  0.032983565405  -0.219832666246  -0.678233656589  0.040839588592  0.006983243810  0.004710797989  0.002563378985
  17  Al  3.860306464596  1.856474067833  1.997337458015  0.424595323205  0.383685676183  0.218761620832  -0.003805609392  -0.004215390626  -0.000306522625
  18  Al  6.189408969715  7.930979582510  1.837455027738  -0.140621324823  0.830153277578  0.663165066873  0.002073320437  -0.003060965193  -0.003849013348
  19  Al  6.107246016634  2.172603166650  7.872253902371  0.011382365742  -0.767775379650  1.207656660538  -0.000003535542  0.000960103281  -0.003317794474
  20  Al  4.084910642550  0.177743290600  4.068997263481  -0.214252400750  -0.488701604273  0.197097497838  -0.000327032137  0.003202620687  0.001097141580
  21  Al  4.104926716047  1.986438677478  6.148800911584  -0.153881973623  0.267171690332  -0.133855120859  0.001775109189  0.000254117582  0.003071010584
  22  Al  6.074488202544  0.062575977283  6.121181447844  -0.195105739007  -0.119725104879  -0.066599403281  -0.000674130865  0.003129158127  0.002240674313
  23  Al  6.213503137198  2.059030133814  4.034196471088  -0.198109152113  -0.014036994903  -0.044454466079  0.003355381410  0.001208110761  0.000573568107
  24  Al  4.114350170064  4.012381801542  0.168525518170  -0.143239169492  0.095802045146  -0.846555711422  0.002704516724  -0.001456960967  0.001360779649
  25  Al  4.002910763894  6.269021029612  2.184874564190  0.517376766259  -0.163965558620  -0.618561919423  0.000798124054  0.005763994533  0.002603255276
  26  Al  5.980035123975  4.204731350151  1.913349737244  0.547571375656  -0.587559065424  0.616634953515  -0.001276437540  0.003534106617  -0.001153387454
  27  Al  5.987612047861  6.139788575853  0.131051648714  -0.031867318995  -0.340968915624  -1.168427536590  -0.003268780225  0.000413167558  -0.000664823102
  28  Al  4.085683653654  4.143332103359  4.171369949559  -0.106952603759  -0.066543483776  -0.166179744599  0.000637993593  0.003245960759  0.002690869767
  29  Al  3.929402772281  6.126132975635  6.327627036175  0.349478844134  -0.063653317664  -0.204407498519  -0.001278360411  0.001306113917  0.007476724556
  30  Al  6.118483544786  3.901751077911  6.096933026638  -0.172893858684  0.992967349092  -0.559245106429  0.000736932175  -0.000863147987  -0.001374101735
  31  Al  6.223552277535  6.017661796902  4.002506526100  -0.389787550387  0.284140810065  0.115220329565  0.003148656704  -0.000561515340  -0.002169970632


