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


MDSTEP:  1
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.099871706757  0.000000000000  0.000000000000
  0.000000042357  8.099872495095  0.000000000000
  -0.000000126862  0.000000034995  8.099873907233
VIRIAL (kbar)
  -83.305146184480  -0.000393512394  0.000112750939
  -0.000393512394  -83.305393907734  -0.001004431648
  0.000112750939  -0.001004431648  -83.300521362617
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.097655333661  8.099228028429  8.098869736071  0.006572683796  -0.000143699382  -0.004136690462  -0.004424556402  -0.001281532235  -0.002001239387
  1  Al  8.098821197767  2.023467546678  2.022977423798  0.006147028068  0.002980889197  -0.000007399311  -0.002092955527  -0.002999076996  -0.003980293523
  2  Al  2.023706955029  8.097823929112  2.023849940514  0.002562754570  0.000060049102  0.004171661270  -0.002519899927  -0.004089705053  -0.002234858889
  3  Al  2.023623995573  2.024343186301  8.099527460930  0.001585672661  -0.001166020568  -0.007765701468  -0.002685655029  -0.001248193022  -0.000686093301
  4  Al  0.000336316752  8.098292054427  4.053146168957  0.004472407442  0.001422685056  -0.009285156677  0.000673086536  -0.003153335249  0.006421454341
  5  Al  0.000288716894  2.024939740032  6.076121333964  -0.000819258837  -0.001487987999  -0.002821208224  0.000577539021  -0.000055077813  0.002437221704
  6  Al  2.024407762084  8.099515576315  6.074435155979  -0.002946372897  0.007076584243  0.002308598410  -0.001118628942  -0.000705764291  -0.000934728991
  7  Al  2.024819263399  2.025415747640  4.051161383211  -0.001493031851  -0.004082076956  0.001038604743  -0.000295482972  0.000896738208  0.002452743023
  8  Al  8.099006821858  4.051873987959  8.097114715832  0.000516968928  -0.005496266290  0.005588305915  -0.001722035737  0.003878733757  -0.005510465956
  9  Al  0.000627404611  6.074643732345  2.024752026058  0.000844498817  0.000389945015  0.002929855659  0.001254904795  -0.000515640531  -0.000430770288
  10  Al  2.026196054528  4.047615781281  2.024627255489  -0.002827266861  0.014450173626  0.004484409174  0.002457939688  -0.004635980116  -0.000680176394
  11  Al  2.025466052386  6.075565048765  0.002251169914  -0.005080850609  0.001599375246  0.004058422226  0.000997625886  0.001327147323  0.004502773848
  12  Al  8.098713037970  4.050662041169  4.048163086267  0.007398961715  0.001239014935  0.007189334386  -0.002309124484  0.001455438528  -0.003543395817
  13  Al  0.000176959075  6.074173628233  6.073029436670  0.001084595883  0.001525373027  0.005370904610  0.000354147483  -0.001455797229  -0.003745938296
  14  Al  2.024637337980  4.049169090946  6.075731255571  -0.004474809251  -0.004441607987  -0.002943749675  -0.000659563963  -0.001531035069  0.001657041626
  15  Al  2.026954375580  6.075213764727  4.047894934444  -0.008690365114  -0.002857209139  -0.001500145473  0.003974124097  0.000624134715  -0.004080484782
  16  Al  4.052257220662  0.002483429380  8.099750990424  -0.002272231694  -0.000734911364  0.006036305905  0.004646612007  0.004966802480  -0.000237793345
  17  Al  4.047142382882  2.022796205617  2.024638639138  0.010372734798  0.003493662837  -0.001006898629  -0.005582308974  -0.004341734788  -0.000657899659
  18  Al  6.076773470319  8.097784733363  2.022482553923  -0.008566226861  -0.000535068374  0.002945019484  0.003744281859  -0.004168150973  -0.004969784978
  19  Al  6.075712184245  2.027399617871  8.096868423416  -0.007576912367  -0.007675369202  0.000584305960  0.001622017672  0.004864185982  -0.006003505935
  20  Al  4.050662478297  0.002650129231  4.050186270361  -0.002906904062  -0.008676000066  -0.001166660144  0.001456892386  0.005299532565  0.000502289332
  21  Al  4.050466866717  2.024213157612  6.075397213784  0.000884959512  0.002249929023  0.005613398334  0.001066044301  -0.001507931696  0.000989712496
  22  Al  6.074921529139  0.000164914686  6.075174667657  0.000803973356  0.007627073140  0.003215212267  0.000041389281  0.000330464005  0.000544398807
  23  Al  6.076830313043  2.025349759246  4.049214175430  -0.005850794151  -0.001385611175  0.008566133311  0.003858338885  0.000765000427  -0.001441061162
  24  Al  4.050390231563  4.049685758962  0.002707355947  0.002989951963  -0.001695259932  -0.008237069930  0.000912748348  -0.000497384551  0.005414061124
  25  Al  4.049048182430  6.077311912196  2.027250558169  0.001242182452  -0.004936979226  -0.005173569386  -0.001771507200  0.004820328194  0.004565648507
  26  Al  6.073650200017  4.051722564750  2.023302170088  -0.000424078590  0.001586671517  0.001865118835  -0.002501589033  0.003576568176  -0.003330623270
  27  Al  6.073934918922  6.075993603170  0.002193315337  0.001940193132  -0.003885837987  -0.004243849406  -0.001932015069  0.002183779460  0.004386320641
  28  Al  4.050449781588  4.050943715076  4.051777649142  -0.001453884645  -0.000919562855  -0.008968204449  0.001031579809  0.002018602275  0.003684399766
  29  Al  4.047800460379  6.075591934376  6.078096567158  0.012031996957  -0.001548331200  -0.007897148787  -0.004265899860  0.001380585482  0.006387296773
  30  Al  6.075477624152  4.047739955693  6.075342276493  -0.000767065829  0.002892939590  0.003666952806  0.001153414473  -0.004388695555  0.000879662164
  31  Al  6.076930407970  6.073994948576  4.049757328735  -0.005301510430  0.003073434147  -0.004479091272  0.004058538778  -0.001813006409  -0.000355903617


MDSTEP:  2
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.099486934610  0.000000000000  0.000000000000
  0.000000169152  8.099490087425  0.000000000000
  -0.000000507061  0.000000139353  8.099495750843
VIRIAL (kbar)
  -83.198330628416  -0.001300841100  0.000371801029
  -0.001300841100  -83.199063294704  -0.004342066487
  0.000371801029  -0.004342066487  -83.179438117396
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.095058427368  8.098204982546  8.097490821227  0.011500499384  0.000351543858  -0.009369689842  -0.004423157505  -0.001281575920  -0.002002543270
  1  Al  8.097390208443  2.021872635360  2.020892829096  0.011771587670  0.005391215726  0.000122494244  -0.002091456337  -0.002998474284  -0.003980474952
  2  Al  2.022351017342  8.095396792913  2.022638209836  0.005918427441  -0.001659028495  0.009416970821  -0.002519265072  -0.004090046991  -0.002233751692
  3  Al  2.022184760258  2.023623569162  8.098805926695  0.004096549343  -0.002993805466  -0.017215568530  -0.002685278567  -0.001248625648  -0.000688359709
  4  Al  0.000672980892  8.096333168311  4.056167255441  0.009256275995  0.001637404406  -0.017557288908  0.000674347905  -0.003153215642  0.006419363891
  5  Al  0.000577182817  2.024816612270  6.077056145553  -0.002684547116  -0.003001385796  -0.005634031221  0.000577254366  -0.000055482014  0.002436583188
  6  Al  2.023751990729  8.098780697680  6.073684298993  -0.005762181390  0.015660394093  0.003370406542  -0.001119462351  -0.000703765875  -0.000934266303
  7  Al  2.024575110671  2.025768363724  4.052198666692  -0.002302709414  -0.007970238147  0.003732103227  -0.000295836565  0.000895704214  0.002453287672
  8  Al  8.097760778588  4.053621919673  8.093981703038  -0.000698593343  -0.010656907332  0.010012552052  -0.001722137309  0.003877478870  -0.005509336640
  9  Al  0.001254865468  6.074099161965  2.024442242723  0.001791989270  0.000823214815  0.007468737788  0.001255201961  -0.000515557152  -0.000429861388
  10  Al  2.027328615917  4.045107367228  2.024192844321  -0.004380972517  0.029962432417  0.010247866149  0.002457415953  -0.004632235254  -0.000678892070
  11  Al  2.025868516955  6.075941857430  0.004502634805  -0.009637167233  0.003895425208  0.011023091632  0.000996359380  0.001327702887  0.004504339042
  12  Al  8.097173961794  4.051198630456  4.046202713025  0.014853502225  0.003200779853  0.014864052633  -0.002307248738  0.001455906556  -0.003541594888
  13  Al  0.000353882996  6.073159104307  6.070873176503  0.000955705609  0.002741112339  0.008607862223  0.000354346900  -0.001455486435  -0.003744869005
  14  Al  2.024210956655  4.048212284955  6.076275989567  -0.009130009088  -0.011296473236  -0.007854844591  -0.000660812237  -0.001532516736  0.001656156031
  15  Al  2.028844668257  6.075238936450  4.045665640633  -0.016941144847  -0.005424248502  -0.005085780213  0.003972026725  0.000623425003  -0.004081270118
  16  Al  4.054387550223  0.004966786718  8.099254212827  -0.003402175110  0.000135397870  0.012906361649  0.004646331886  0.004966990742  -0.000236111297
  17  Al  4.044159373296  2.020530019500  2.024215120361  0.020155081081  0.006332274597  -0.002034236156  -0.005579852915  -0.004341067699  -0.000658203230
  18  Al  6.078356593610  8.095318349443  2.019903368201  -0.017875120561  -0.003037350601  0.005421512957  0.003742101108  -0.004168672977  -0.004969276378
  19  Al  6.076233888973  2.029735757268  8.093488678277  -0.015445866834  -0.014911085022  -0.001376259388  0.001620037733  0.004862403967  -0.006003865909
  20  Al  4.051198184353  0.005299436723  4.050248273229  -0.006181558567  -0.017103835415  -0.003016855502  0.001456150861  0.005297485821  0.000501939514
  21  Al  4.050807264072  2.023363803765  6.075608681056  0.002389938162  0.004581691774  0.010987676932  0.001066389543  -0.001507394430  0.000991244328
  22  Al  6.074653394619  0.000330558209  6.075163381115  0.002224753140  0.017188333146  0.006554917393  0.000041662120  0.000332698593  0.000545298492
  23  Al  6.078470393357  2.025636630062  4.048304982761  -0.011841998613  -0.002344272221  0.019317565379  0.003856945883  0.000764704316  -0.001438637731
  24  Al  4.050654395439  4.049245798681  0.005413893924  0.007444774425  -0.004778187656  -0.014834657636  0.000913726635  -0.000497987866  0.005412259258
  25  Al  4.047970139777  6.079434964038  2.029438507215  0.002537429972  -0.009012679154  -0.008842501013  -0.001771255908  0.004819315482  0.004564615365
  26  Al  6.072110834394  4.053319659023  2.021542479289  -0.002256841272  0.004979516327  0.003686491555  -0.002501951942  0.003577329575  -0.003330287375
  27  Al  6.072680559370  6.076798462807  0.004386185184  0.003372402248  -0.007658385794  -0.006912099155  -0.001931634398  0.002182853430  0.004385534560
  28  Al  4.050772969660  4.051761776610  4.053430285387  -0.002759398427  -0.001858050051  -0.017886566456  0.001031253950  0.002018451997  0.003682176378
  29  Al  4.045475571955  6.075995398430  6.081006098633  0.024212278086  -0.002626711799  -0.016504568787  -0.004262867866  0.001380279025  0.006385422882
  30  Al  6.075765469436  4.045354713726  6.075498634120  -0.000963351964  0.003465584226  0.006891815788  0.001153316732  -0.004388340846  0.000880648504
  31  Al  6.078670671516  6.072801871446  4.049390106777  -0.010217557755  0.005986324034  -0.010507531562  0.004057350257  -0.001812284709  -0.000357260585


MDSTEP:  3
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.098846084979  0.000000000000  0.000000000000
  0.000000379711  8.098853177791  0.000000000000
  -0.000001139491  0.000000310998  8.098865976700
VIRIAL (kbar)
  -83.021118978792  -0.002399870359  0.000191591223
  -0.002399870359  -83.023037119785  -0.009843379585
  0.000191591223  -0.009843379585  -82.979169671955
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.092206438895  8.096927572587  8.095859511301  0.018040238326  0.000800004193  -0.013071218364  -0.004420877649  -0.001281576705  -0.002004710226
  1  Al  8.095704216132  2.020214688751  2.018745460653  0.019120773171  0.011654980865  0.000820826471  -0.002088865539  -0.002997193093  -0.003980709989
  2  Al  2.020931687394  8.092715147900  2.021364483833  0.008138665408  -0.002563474833  0.015895844868  -0.002518213806  -0.004090756019  -0.002231667879
  3  Al  2.020681722823  2.022840164211  8.097831256410  0.004693969680  -0.000951301662  -0.024414757291  -0.002684711766  -0.001249079560  -0.000692136810
  4  Al  0.001010409787  8.094120056168  4.059060770364  0.015720493265  0.002178753232  -0.026980292567  0.000676637648  -0.003153130946  0.006415897160
  5  Al  0.000865222870  2.024629642801  6.077801666933  -0.002771056107  -0.001535794045  -0.009683494604  0.000576814223  -0.000055892418  0.002435409256
  6  Al  2.023031613759  8.097792789187  6.072745058204  -0.010174652645  0.024296445844  0.003094743593  -0.001120978596  -0.000700250602  -0.000933763260
  7  Al  2.024266636632  2.026056648103  4.053110401227  -0.004116335947  -0.009153899316  0.004716394673  -0.000296434213  0.000894245654  0.002454239831
  8  Al  8.096258437663  4.055241597142  8.090598133459  0.000362124951  -0.016619023878  0.015953787959  -0.001722309553  0.003875355452  -0.005507457216
  9  Al  0.001882447866  6.073363821320  2.024070235632  0.003613234112  -0.002049672387  0.012850659413  0.001255787614  -0.000515708574  -0.000428079266
  10  Al  2.028396669993  4.042474538785  2.023696465348  -0.007328898253  0.044773845381  0.016881633325  0.002456570072  -0.004625929288  -0.000676521086
  11  Al  2.026206132939  6.076128097444  0.006754949713  -0.015503946496  0.002230182805  0.018175362874  0.000994193727  0.001328357739  0.004507310873
  12  Al  8.095380122514  4.051608244411  4.044117966370  0.023090162286  0.004883266420  0.021022020169  -0.002304045651  0.001456747779  -0.003538670729
  13  Al  0.000530755138  6.071954043920  6.068529085310  0.002684246149  0.001004741703  0.011113152362  0.000354700678  -0.001455269198  -0.003743406359
  14  Al  2.023719612768  4.047127315166  6.076631258282  -0.015017548245  -0.017404620125  -0.012887638887  -0.000663024483  -0.001535207191  0.001654434475
  15  Al  2.030669241968  6.075072761628  4.043310206074  -0.026689928464  -0.010976899538  -0.009415088105  0.003968449200  0.000622009709  -0.004082893998
  16  Al  4.056389142233  0.007450072295  8.098506978558  -0.005152099327  0.000544484393  0.020879611685  0.004645945546  0.004967454454  -0.000233109678
  17  Al  4.041050255857  2.018200922993  2.023728535104  0.028536367178  0.012831465840  -0.002075596200  -0.005575954637  -0.004339706463  -0.000658623472
  18  Al  6.079745966936  8.092597335952  2.017261912225  -0.026000651513  -0.004853552485  0.008594189691  0.003738483408  -0.004169716048  -0.004968422043
  19  Al  6.076561873595  2.032006857586  8.089857373038  -0.022472218316  -0.019594292039  -0.001233049569  0.001616778080  0.004859714162  -0.006004580908
  20  Al  4.051605128199  0.007947087500  4.050184182469  -0.011442430752  -0.024990388523  -0.006005730131  0.001454693440  0.005294152131  0.000501173142
  21  Al  4.051019635587  2.022451330384  6.075632387617  0.002946046836  0.010072333177  0.015255393526  0.001066954019  -0.001506206700  0.000993670066
  22  Al  6.074193210523  0.000497778741  6.074963950972  0.004525792647  0.026867594764  0.009172441176  0.000042269104  0.000336664248  0.000546748315
  23  Al  6.079917133587  2.025859676242  4.047271751583  -0.016801773694  0.000171400837  0.028401908359  0.003854699390  0.000764572242  -0.001434486902
  24  Al  4.050791200227  4.048678175302  0.008118942859  0.010080886986  -0.007667360302  -0.020849355098  0.000915369202  -0.000499141521  0.005409503257
  25  Al  4.046764339233  6.081366203770  2.031562624020  0.002645287533  -0.016713888217  -0.011978891546  -0.001770936824  0.004817405876  0.004563120114
  26  Al  6.070379264253  4.054789855599  2.019720313826  -0.002340834280  0.007788880255  0.007137090028  -0.002502568306  0.003578761650  -0.003329586921
  27  Al  6.071234565288  6.077411694829  0.006578305167  0.005762694798  -0.014169213076  -0.008544821426  -0.001930974728  0.002181078563  0.004384504540
  28  Al  4.050967756535  4.052452393223  4.054955402960  -0.005260332532  -0.002906046545  -0.028239125260  0.001030621587  0.002018189399  0.003678348048
  29  Al  4.043024813773  6.076207759549  6.083725249279  0.034740499700  -0.007373207441  -0.025352744023  -0.004257944073  0.001379496267  0.006382193051
  30  Al  6.075860988115  4.042842714660  6.075466868181  -0.000244482664  0.004343620865  0.008544023053  0.001153303629  -0.004387998742  0.000882099171
  31  Al  6.080217776057  6.071418541930  4.048896147346  -0.013384293789  0.005080633841  -0.017777280156  0.004055571444  -0.001811442257  -0.000359817994


MDSTEP:  4
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.097949824408  0.000000000000  0.000000000000
  0.000000673143  8.097962430459  0.000000000000
  -0.000002023090  0.000000546482  8.097985323200
VIRIAL (kbar)
  -82.772585570535  -0.004236664262  0.000393057648
  -0.004236664262  -82.775700422938  -0.017648139829
  0.000393057648  -0.017648139829  -82.697472563659
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.089100686755  8.095396518825  8.093976243617  0.023571395952  0.001114018770  -0.018225957164  -0.004417662410  -0.001281550717  -0.002007733325
  1  Al  8.093764576185  2.018494477317  2.016535624793  0.024679565313  0.013623956058  0.000410950117  -0.002085188627  -0.002995272573  -0.003981046636
  2  Al  2.019449367978  8.089779638363  2.020029559571  0.011381632151  -0.003354833245  0.020300368888  -0.002516755953  -0.004091749030  -0.002228682252
  3  Al  2.019115144937  2.021993335516  8.096603555146  0.006663914636  -0.003428967840  -0.033505447809  -0.002684002776  -0.001249612818  -0.000697392807
  4  Al  0.001349170829  8.091653476423  4.061826144918  0.019961281205  0.002632841351  -0.035285284052  0.000679907401  -0.003153059553  0.006411050435
  5  Al  0.001152821155  2.024379126936  6.078358053595  -0.004408594341  -0.004042743215  -0.012259867989  0.000576238878  -0.000056397872  0.002433720762
  6  Al  2.022246420255  8.096553295181  6.071617976679  -0.013033461269  0.032674226243  0.005134800188  -0.001123181609  -0.000695236500  -0.000933132304
  7  Al  2.023893850596  2.026280645764  4.053897007460  -0.004961578994  -0.013823089657  0.007290383796  -0.000297279135  0.000892292522  0.002455588739
  8  Al  8.094500587109  4.056732757628  8.086965358687  -0.000614303987  -0.022149297997  0.020419358341  -0.001722531000  0.003872330003  -0.005504823427
  9  Al  0.002510295162  6.072437958700  2.023636676914  0.003753368168  -0.000786350145  0.016486551161  0.001256589560  -0.000516020586  -0.000425504438
  10  Al  2.029400082432  4.039719021210  2.023138906321  -0.009133782016  0.059966803139  0.022264910659  0.002455379359  -0.004617089872  -0.000673097145
  11  Al  2.026478526725  6.076124098038  0.009008686933  -0.020173166425  0.004951755495  0.023745357953  0.000991118559  0.001329149901  0.004511564641
  12  Al  8.093332958068  4.051891341931  4.041909818752  0.030201346466  0.006476321785  0.028879967079  -0.002299545462  0.001457929221  -0.003534606438
  13  Al  0.000707724766  6.070558809464  6.065997996632  0.002443038085  0.003240447184  0.015252105622  0.000355198791  -0.001455054243  -0.003741469331
  14  Al  2.023162957055  4.045913988179  6.076797140927  -0.019600831888  -0.023565606279  -0.016954067072  -0.000666194456  -0.001539044573  0.001651952183
  15  Al  2.032427331340  6.074715230990  4.040828673730  -0.035053233362  -0.012978738322  -0.011764060206  0.003963380870  0.000619939171  -0.004085245746
  16  Al  4.058262103951  0.009933244296  8.097510742314  -0.005987267789  0.000655289679  0.027061318699  0.004645479034  0.004968125467  -0.000228849716
  17  Al  4.037816197926  2.015809727821  2.023179074077  0.038770525527  0.015234564177  -0.003592169321  -0.005570573042  -0.004337689613  -0.000659204114
  18  Al  6.080941306388  8.089622256893  2.014558728246  -0.035342417809  -0.006690735603  0.011250143398  0.003733425243  -0.004171220596  -0.004967205503
  19  Al  6.076695985995  2.034212589504  8.085975348333  -0.030672215590  -0.028121900736  -0.002511548229  0.001612208706  0.004856000516  -0.006005589612
  20  Al  4.051883151136  0.010592294873  4.049994092603  -0.014265853649  -0.033656327211  -0.007342013665  0.001452560228  0.005289509571  0.000500036045
  21  Al  4.051104348661  2.021476414530  6.075469254013  0.005033025086  0.011627623944  0.021247299906  0.001067789751  -0.001504437705  0.000997045087
  22  Al  6.073541682629  0.000667433961  6.074577156899  0.005315215854  0.036057745213  0.012789739253  0.000043153850  0.000342328170  0.000548773193
  23  Al  6.081170531972  2.026019275511  4.046115684631  -0.022999143923  -0.001799991907  0.038906891770  0.003851580528  0.000764513618  -0.001428630205
  24  Al  4.050801200593  4.047982970119  0.010821884440  0.014632064128  -0.010441643104  -0.028614505597  0.000917684767  -0.000500818001  0.005405688108
  25  Al  4.045431150165  6.083105367486  2.033622744808  0.004691760383  -0.020453791188  -0.016620187502  -0.001770482649  0.004814628923  0.004561075372
  26  Al  6.068456019717  4.056133682967  2.017836216381  -0.003606888096  0.010743765047  0.008999678056  -0.002503387366  0.003580825172  -0.003328517919
  27  Al  6.069597678938  6.077833182392  0.008769464003  0.007004215402  -0.017148146389  -0.012121778255  -0.001930052927  0.002178525507  0.004383148949
  28  Al  4.051034236334  4.053015771134  4.056352390722  -0.006289143006  -0.003378701076  -0.036829631456  0.001029707329  0.002017855989  0.003672943458
  29  Al  4.040449525182  6.076229068109  6.086253686777  0.047234740050  -0.007776239626  -0.033103784305  -0.004251099683  0.001378297428  0.006377683088
  30  Al  6.075764727285  4.040204432734  6.075247667052  -0.000837131473  0.005669899230  0.011699860165  0.001153339663  -0.004387601578  0.000884008063
  31  Al  6.081571876688  6.069845402879  4.048275175067  -0.018358074791  0.008927846225  -0.023409382433  0.004053196767  -0.001810395348  -0.000363540642


MDSTEP:  5
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.096799087263  0.000000000000  0.000000000000
  0.000001048014  8.096818777985  0.000000000000
  -0.000003155832  0.000000840910  8.096854827971
VIRIAL (kbar)
  -82.452941741681  -0.006526771057  0.000548880807
  -0.006526771057  -82.457836457648  -0.027486765783
  0.000548880807  -0.027486765783  -82.335308476530
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.085742666809  8.093612796158  8.091841624506  0.030470075023  0.001552835430  -0.022608368879  -0.004413479006  -0.001281498710  -0.002011673537
  1  Al  8.091572751449  2.016712453791  2.014263602890  0.031419157672  0.017760958978  0.001237126446  -0.002080479566  -0.002992902431  -0.003981473107
  2  Al  2.017904619557  8.086591186005  2.018634123058  0.013844608015  -0.003557021725  0.025810865448  -0.002514869459  -0.004092962998  -0.002224880880
  3  Al  2.017485478328  2.021083108486  8.095123058050  0.007886388985  -0.003772187276  -0.041320485987  -0.002683095426  -0.001250438659  -0.000704183194
  4  Al  0.001689632644  8.088934446779  4.064463061019  0.025732630512  0.003684302340  -0.044619634732  0.000684095476  -0.003152955569  0.006404830551
  5  Al  0.001439823795  2.024065070830  6.078725817586  -0.004572780355  -0.004832774654  -0.016112663629  0.000575521283  -0.000057200073  0.002431534886
  6  Al  2.021396405181  8.095063903953  6.070304028760  -0.016592094183  0.040741745491  0.006104099488  -0.001125995179  -0.000688773852  -0.000932261982
  7  Al  2.023456915712  2.026440156602  4.054559198174  -0.006630958517  -0.016633856104  0.008731879668  -0.000298358493  0.000889699096  0.002457375164
  8  Al  8.092488101078  4.058095310336  8.083084896638  -0.000051673766  -0.027766827263  0.026068415118  -0.001722846048  0.003868432689  -0.005501460605
  9  Al  0.003138400439  6.071322392946  2.023142157310  0.005263634429  -0.001642844890  0.021009815588  0.001257579968  -0.000516312907  -0.000422213379
  10  Al  2.030338888415  4.036842706827  2.022520917847  -0.012040177736  0.074556742965  0.028620929890  0.002453847198  -0.004605735563  -0.000668644678
  11  Al  2.026685498501  6.075930782037  0.011264278030  -0.025466020564  0.005563579441  0.029489680295  0.000987184800  0.001330282926  0.004516974444
  12  Al  8.091034073396  4.052048507553  4.039579543558  0.038740360835  0.007470390622  0.035603351748  -0.002293720499  0.001459389314  -0.003529350729
  13  Al  0.000884765416  6.068974318333  6.063281113812  0.003575453877  0.003625390211  0.018679968997  0.000355787961  -0.001454651788  -0.003738974895
  14  Al  2.022540824190  4.044572238738  6.076774027842  -0.024602678974  -0.029308048391  -0.021956636455  -0.000670243232  -0.001543996430  0.001648711452
  15  Al  2.034118362569  6.074166853321  4.038221412546  -0.044281677615  -0.016817268964  -0.014318281053  0.003956867424  0.000617366368  -0.004088166494
  16  Al  4.060006760023  0.012416233558  8.096267097768  -0.008155488458  0.000712154726  0.034147529389  0.004644894524  0.004968971936  -0.000223410281
  17  Al  4.034458665593  2.013356945530  2.022566870805  0.047949231035  0.019810932874  -0.003882482344  -0.005563635851  -0.004335188494  -0.000659967407
  18  Al  6.081942420533  8.086393941691  2.011794386253  -0.043942461491  -0.007604922387  0.015035100485  0.003726883378  -0.004173105787  -0.004965571412
  19  Al  6.076636171134  2.036352346442  8.081843615904  -0.037926986607  -0.034923319762  -0.002031236089  0.001606308616  0.004851072862  -0.006006861393
  20  Al  4.052032447019  0.013234202637  4.049678395608  -0.018565104243  -0.041978943893  -0.009467268014  0.001449836865  0.005283518261  0.000498605273
  21  Al  4.051062042206  2.020439447182  6.075120579487  0.005589490545  0.015173068418  0.025949193781  0.001068896766  -0.001502261047  0.001001408436
  22  Al  6.072699583165  0.000840336724  6.074004092437  0.006897673529  0.044986329124  0.015315015601  0.000044252197  0.000349623776  0.000551365017
  23  Al  6.082230677964  2.026115470921  4.044838260941  -0.028499274744  -0.001865526294  0.047835723127  0.003847540360  0.000764297605  -0.001421080838
  24  Al  4.050685256165  4.047160408781  0.013521944846  0.017597884627  -0.013307822089  -0.035728182936  0.000920702954  -0.000503015358  0.005400714666
  25  Al  4.043971248716  6.084652747060  2.035618646885  0.005356339843  -0.026037538651  -0.020618726971  -0.001769843414  0.004811173267  0.004558403422
  26  Al  6.066341725691  4.057351816938  2.015890661892  -0.003946339802  0.012602118455  0.012172168555  -0.002504431823  0.003583435007  -0.003327104799
  27  Al  6.067770740029  6.078063325988  0.010959277370  0.008975025471  -0.022066545711  -0.015552767098  -0.001928906246  0.002175336211  0.004381306463
  28  Al  4.050972769079  4.053452301737  4.057620945377  -0.008616895435  -0.004329995893  -0.046216462823  0.001028526481  0.002017460226  0.003666048071
  29  Al  4.037751354772  6.076059963151  6.088591402468  0.058072519370  -0.010282612034  -0.041570689442  -0.004242305999  0.001376882569  0.006371926026
  30  Al  6.075477318287  4.037440514629  6.074842078084  -0.000830770228  0.007602484798  0.013591997783  0.001153361037  -0.004387054667  0.000886396719
  31  Al  6.082733168560  6.068083522247  4.047527210567  -0.022649091052  0.010885022107  -0.029398974953  0.004050125143  -0.001808887783  -0.000368314411


MDSTEP:  6
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.095395074737  0.000000000000  0.000000000000
  0.000001502528  8.095423418493  0.000000000000
  -0.000004535219  0.000001188134  8.095475824351
VIRIAL (kbar)
  -82.062141098613  -0.009201055399  0.000729750185
  -0.009201055399  -82.068827294451  -0.039403829375
  0.000729750185  -0.039403829375  -81.892075602534
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.082134263140  8.091577654683  8.089456624645  0.034861514427  0.001949342869  -0.029147575213  -0.004408428446  -0.001281413170  -0.002016654774
  1  Al  8.089130576695  2.014869330156  2.011929859843  0.035614553277  0.019372252127  -0.000077142086  -0.002074859570  -0.002990114121  -0.003982069801
  2  Al  2.016297998783  8.083151029622  2.017179032544  0.018232164961  -0.003997042357  0.029448276877  -0.002512451533  -0.004094366185  -0.002220331711
  3  Al  2.015793174418  2.020109764231  8.093390409947  0.010940447622  -0.006560885125  -0.051540842339  -0.002681892412  -0.001251584853  -0.000712609538
  4  Al  0.002032300652  8.085964302630  4.066971257967  0.028923354726  0.004219176098  -0.051907021854  0.000689108311  -0.003152811389  0.006397327091
  5  Al  0.001726209027  2.023687699577  6.078905579211  -0.007311092443  -0.008126862508  -0.017901897042  0.000574562888  -0.000058369475  0.002428921487
  6  Al  2.020481567438  8.093326540457  6.068804314629  -0.018301719890  0.049160209387  0.009300586005  -0.001129316713  -0.000680858319  -0.000931048693
  7  Al  2.022955988260  2.026535212639  4.055097733306  -0.006326612310  -0.021967258331  0.012601726490  -0.000299569577  0.000886405643  0.002459714833
  8  Al  8.090222258075  4.059329289046  8.078958665442  -0.002003931832  -0.033202908810  0.029644001703  -0.001723341780  0.003863671113  -0.005497447313
  9  Al  0.003766879370  6.070017952147  2.022587420680  0.004136686654  -0.000034905989  0.023776443956  0.001258645505  -0.000516554688  -0.000418283442
  10  Al  2.031213091825  4.033847565421  2.021843411217  -0.013168868788  0.089712931916  0.032935312057  0.002452033624  -0.004591868052  -0.000663258736
  11  Al  2.026826859396  6.075549083095  0.013522171122  -0.028839745997  0.008404083024  0.033505347673  0.000982507787  0.001331767441  0.004523401258
  12  Al  8.088485467413  4.052080404700  4.037128459723  0.044588084030  0.008949431195  0.044600029147  -0.002286682899  0.001461117827  -0.003522800844
  13  Al  0.001061973570  6.067201520391  6.060379797518  0.001708604595  0.006391976028  0.023828132697  0.000356322858  -0.001454014171  -0.003735832113
  14  Al  2.021853078224  4.043102170593  6.076562447880  -0.027650385514  -0.035466574944  -0.024912521520  -0.000675033841  -0.001550062850  0.001644811049
  15  Al  2.035741752085  6.073428171915  4.035488920073  -0.051730650928  -0.018141851904  -0.015225290496  0.003948989550  0.000614351529  -0.004091527075
  16  Al  4.061623450773  0.014898965857  8.094778015049  -0.007745490438  0.000413367961  0.039238582281  0.004644302791  0.004969956782  -0.000216888339
  17  Al  4.030979162784  2.010843347104  2.021892242229  0.059596524433  0.021695865372  -0.006232070855  -0.005555015441  -0.004332248733  -0.000660987819
  18  Al  6.082749384980  8.082913566699  2.008969629941  -0.054649824679  -0.009102714490  0.017021428889  0.003718734674  -0.004175341023  -0.004963578854
  19  Al  6.076382659386  2.038425742338  8.077463639083  -0.046905304448  -0.044403283505  -0.003821746823  0.001599007478  0.004844845011  -0.006008441396
  20  Al  4.052053211747  0.015871985820  4.049237560920  -0.020256405372  -0.050867818998  -0.009804644275  0.001446624157  0.005276157115  0.000496969939
  21  Al  4.050893352193  2.019341062344  6.074587769915  0.008632514438  0.016521376410  0.032645110611  0.001070360535  -0.001499694866  0.001006823349
  22  Al  6.071667955722  0.001017275538  6.073245975380  0.006671558270  0.053872089465  0.019813568378  0.000045473448  0.000358524522  0.000554602758
  23  Al  6.083097924462  2.026148541831  4.043440966081  -0.035954154266  -0.004188942721  0.059322774593  0.003842465646  0.000763892604  -0.001411750094
  24  Al  4.050444218224  4.046210841436  0.016218409797  0.022941567953  -0.016036559713  -0.045217919254  0.000924494813  -0.000505729660  0.005394427579
  25  Al  4.042385320376  6.086008669431  2.037550240026  0.008918945751  -0.028916692761  -0.026419635820  -0.001768883303  0.004807115040  0.004554999754
  26  Al  6.064037289466  4.058444968473  2.013884315546  -0.005963263820  0.015160032089  0.013555664167  -0.002505768630  0.003586555510  -0.003325389838
  27  Al  6.065754852903  6.078102552392  0.013147375020  0.008968248933  -0.024453813484  -0.020855638575  -0.001927645976  0.002171563058  0.004378822034
  28  Al  4.050783732365  4.053762466217  4.058760841221  -0.008142675540  -0.004781929443  -0.053156960406  0.001027213195  0.002017003724  0.003657808294
  29  Al  4.034931935551  6.075701094219  6.090738547018  0.071766867282  -0.010361735018  -0.048161477754  -0.004231454410  0.001375280402  0.006365024254
  30  Al  6.074999646545  4.034551792160  6.074251257611  -0.002679248494  0.009506516392  0.016861063269  0.001153255340  -0.004386305818  0.000889275372
  31  Al  6.083702108825  6.066133997176  4.046652390346  -0.028872262594  0.015283129766  -0.033715664479  0.004046244121  -0.001806869948  -0.000374022104


MDSTEP:  7
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.093739254608  0.000000000000  0.000000000000
  0.000002034585  8.093777817256  0.000000000000
  -0.000006158133  0.000001580729  8.093849942850
VIRIAL (kbar)
  -81.600081120983  -0.012510097672  0.001054035427
  -0.012510097672  -81.609029415411  -0.053881968136
  0.001054035427  -0.053881968136  -81.367853388176
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.078277401375  8.089292606261  8.086822318547  0.043208953422  0.002515128829  -0.032309950294  -0.004402380131  -0.001281282573  -0.002022568145
  1  Al  8.086439925293  2.012965658249  2.009534742350  0.043874698361  0.024910976367  0.001748403715  -0.002068191889  -0.002986781683  -0.003982746825
  2  Al  2.014630300177  8.079460652535  2.015665052424  0.019540947891  -0.003838151307  0.035933536352  -0.002509604785  -0.004095925901  -0.002214946830
  3  Al  2.014038914851  2.019073430442  8.091406337702  0.010639589393  -0.005636353587  -0.058049721278  -0.002680529449  -0.001252938021  -0.000722555769
  4  Al  0.002377449684  8.082744598887  4.069350808575  0.035910906638  0.005093264822  -0.062651444535  0.000695055016  -0.003152642410  0.006388412301
  5  Al  0.002011725508  2.023247080243  6.078898366863  -0.006124691795  -0.007671483626  -0.022747277014  0.000573484263  -0.000059794850  0.002425791207
  6  Al  2.019502137785  8.091343426936  6.067120356166  -0.022892889326  0.057299449284  0.009366494268  -0.001133238685  -0.000671482636  -0.000929572928
  7  Al  2.022391467787  2.026565686794  4.055513739149  -0.009136413413  -0.023570750580  0.012818961147  -0.000301014414  0.000882519661  0.002462498155
  8  Al  8.087704378392  4.060434877120  8.074588693400  0.000021244403  -0.038891943006  0.036460628302  -0.001723887257  0.003858037883  -0.005492677947
  9  Al  0.004395612095  6.068525884626  2.021973127964  0.006611787563  -0.002211287383  0.029337283725  0.001259872354  -0.000516863880  -0.000413621432
  10  Al  2.032022922773  4.030735749284  2.021107189231  -0.017433744279  0.104426358654  0.040380481337  0.002449816677  -0.004575474354  -0.000656841331
  11  Al  2.026902658847  6.074980334797  0.015782661001  -0.035209043150  0.007382565442  0.040383366640  0.000976990709  0.001333457414  0.004530946339
  12  Al  8.085689164491  4.051987873444  4.034558236904  0.054359143270  0.009806213328  0.050090915488  -0.002278321523  0.001463102433  -0.003515065794
  13  Al  0.001239177901  6.065241777441  6.057295783975  0.003849952691  0.005386790770  0.026103058918  0.000356893671  -0.001453265426  -0.003732143181
  14  Al  2.021099824753  4.041503982590  6.076163336264  -0.033730507687  -0.041148026439  -0.030847112003  -0.000680663045  -0.001557238755  0.001640167029
  15  Al  2.037297143255  6.072500154732  4.032631988577  -0.062166798479  -0.023259791843  -0.018679963288  0.003939637995  0.000610779892  -0.004095407660
  16  Al  4.063112882146  0.017381335175  8.093045582940  -0.010875738534  0.000211881103  0.047627635003  0.004643617172  0.004971056333  -0.000209166770
  17  Al  4.027379545936  2.008269528221  2.021155395306  0.067514693405  0.027550733874  -0.005419143842  -0.005544822925  -0.004328755183  -0.000662166721
  18  Al  6.083362287803  8.079182521872  2.006085115048  -0.062313847801  -0.010135564373  0.022095224276  0.003709061509  -0.004177936587  -0.004961111644
  19  Al  6.075935728032  2.040432218516  8.072836973654  -0.053013108734  -0.050362409126  -0.002054059503  0.001590406921  0.004837390968  -0.006010213750
  20  Al  4.051946008392  0.018504769656  4.048672366555  -0.025928468841  -0.059324311026  -0.013218400313  0.001442798882  0.005267412750  0.000495014624
  21  Al  4.050599270830  2.018181763010  6.073872632530  0.008135382236  0.021560803194  0.036313966771  0.001072086872  -0.001496605149  0.001013197839
  22  Al  6.070447882604  0.001199034103  6.072304422927  0.009282760854  0.062860183235  0.021406673775  0.000046909674  0.000369036543  0.000558403304
  23  Al  6.083772650847  2.026118632098  4.041925662377  -0.040468766263  -0.002847000171  0.067176538524  0.003836443480  0.000763424285  -0.001400732970
  24  Al  4.050079283963  4.045134763998  0.018910354223  0.024624317568  -0.018858354757  -0.051488366868  0.000928945879  -0.000508957113  0.005386900782
  25  Al  4.040674442466  6.087173904671  2.039417348517  0.008671687655  -0.035792591189  -0.029678532192  -0.001767683487  0.004802337728  0.004550929453
  26  Al  6.061543667678  4.059414045214  2.011817755914  -0.005023496661  0.017224596365  0.018277159528  -0.002507283215  0.003590204918  -0.003323233871
  27  Al  6.063551144301  6.077951715638  0.015333220648  0.011862507420  -0.030553117936  -0.023141347269  -0.001926189197  0.002167099849  0.004375797118
  28  Al  4.050467888017  4.053946923870  4.059772220992  -0.011524574884  -0.005547277552  -0.063624582025  0.001025672972  0.002016502819  0.003648126175
  29  Al  4.031993288193  6.075153527640  6.092695663605  0.081198550464  -0.014173325186  -0.057467387793  -0.004218669007  0.001373373941  0.006356901142
  30  Al  6.074332632214  4.031539226061  6.073476708157  -0.001605765897  0.011525544738  0.017144630530  0.001153117793  -0.004385346632  0.000892500334
  31  Al  6.084479183021  6.063998342258  4.045651149012  -0.031859267492  0.016067249082  -0.041287670082  0.004041669356  -0.001804446265  -0.000380805669


MDSTEP:  8
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.091833361163  0.000000000000  0.000000000000
  0.000002641621  8.091883705068  0.000000000000
  -0.000008020760  0.000002009707  8.091979110145
VIRIAL (kbar)
  -81.067100443264  -0.016093897792  0.001360226784
  -0.016093897792  -81.078527317323  -0.070470286531
  0.001360226784  -0.070470286531  -80.762910446580
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.074174626094  8.086759441438  8.083940378161  0.048566211923  0.002967815976  -0.037817933908  -0.004395246420  -0.001281101688  -0.002029321647
  1  Al  8.083503299832  2.011002406035  2.007078950491  0.048918652104  0.027655410065  0.001322454627  -0.002060399677  -0.002982803033  -0.003983424090
  2  Al  2.012902108536  8.075521855485  2.014093274894  0.022832329017  -0.003839087419  0.040222431758  -0.002506426562  -0.004097602391  -0.002208667074
  3  Al  2.012223147698  2.017974631215  8.089172196033  0.012542488185  -0.007445679239  -0.067234204680  -0.002679108924  -0.001254410532  -0.000733930083
  4  Al  0.002725694030  8.079277184545  4.071601627000  0.039729530389  0.005641443633  -0.071031722528  0.000701992187  -0.003152446892  0.006377986450
  5  Al  0.002296473366  2.022743680301  6.078705158722  -0.008020263270  -0.010053640341  -0.025444955411  0.000572360570  -0.000061394782  0.002422062078
  6  Al  2.018458155755  8.089117024682  6.065253617170  -0.025373893283  0.065663980364  0.011892340843  -0.001137830266  -0.000660650620  -0.000927894333
  7  Al  2.021763542226  2.026531851365  4.055808164347  -0.009870502543  -0.027787551637  0.015752157996  -0.000302785944  0.000878140488  0.002465641206
  8  Al  8.084936404338  4.061412367774  8.069977592772  -0.001085972152  -0.044352803988  0.040790589274  -0.001724406684  0.003851529604  -0.005487083605
  9  Al  0.005024800980  6.066847298980  2.021300263740  0.005851232952  -0.001477786219  0.032807828042  0.001261293190  -0.000517318620  -0.000408163890
  10  Al  2.032768398361  4.027509501855  2.020313408311  -0.019730753756  0.119385928724  0.045776035243  0.002447091279  -0.004556569759  -0.000649295057
  11  Al  2.026912745145  6.074225725002  0.018046299810  -0.039500842347  0.009025623376  0.044792782154  0.000970550795  0.001335245749  0.004539644780
  12  Al  8.082647805552  4.051771830630  4.031870378116  0.061070478923  0.010898632770  0.058142778596  -0.002268557974  0.001465308496  -0.003506228683
  13  Al  0.001416565684  6.063096311593  6.054030773336  0.002580922641  0.007038752514  0.030546710020  0.000357553842  -0.001452504932  -0.003727970067
  14  Al  2.020280965062  4.039778047429  6.075577584677  -0.037814277356  -0.047039630165  -0.034597707491  -0.000687223918  -0.001565500717  0.001634707591
  15  Al  2.038783980374  6.071383629205  4.029651329293  -0.070728878598  -0.025645073605  -0.019885525588  0.003928711710  0.000606556155  -0.004099834554
  16  Al  4.064475578996  0.019863244156  8.091072481059  -0.011095134001  -0.000352471826  0.053508005423  0.004642780613  0.004972246159  -0.000200174224
  17  Al  4.023661469552  2.005636504068  2.020356893548  0.078464913697  0.030564487806  -0.007036199034  -0.005533118777  -0.004324605901  -0.000663438603
  18  Al  6.083781690022  8.075202502592  2.003141845631  -0.072094007515  -0.011446953707  0.025319181783  0.003697945260  -0.004180875432  -0.004958057972
  19  Al  6.075296112046  2.042371597472  8.067965787626  -0.061139553954  -0.059177129279  -0.002634588916  0.001580582046  0.004828768687  -0.006012069333
  20  Al  4.051711178254  0.021131718999  4.047983463786  -0.028258051577  -0.068310814331  -0.014364099746  0.001438303379  0.005257274766  0.000492666776
  21  Al  4.050180607809  2.016962446857  6.072976926343  0.010725470381  0.023975687838  0.042245015029  0.001074035275  -0.001492895987  0.001020463938
  22  Al  6.069040900170  0.001386404070  6.071181014798  0.009816663097  0.071763443529  0.025032110318  0.000048628959  0.000381162358  0.000562688846
  23  Al  6.084255700746  2.026026279099  4.040294034801  -0.047088553416  -0.004309655521  0.077786679844  0.003829547345  0.000762969438  -0.001388106573
  24  Al  4.049591456547  4.043932796711  0.021597142808  0.029374672837  -0.021720551869  -0.060471786628  0.000934003376  -0.000512709854  0.005378177836
  25  Al  4.038839484227  6.088149065855  2.041220099562  0.011999133391  -0.039707334537  -0.034987625157  -0.001766264582  0.004796747557  0.004546235274
  26  Al  6.058862280353  4.060260044131  2.009691932850  -0.005898262730  0.019701290123  0.020939683455  -0.002508873189  0.003594375732  -0.003320521709
  27  Al  6.061161199234  6.077611537782  0.017516549227  0.012655091321  -0.034004150075  -0.027965380881  -0.001924464001  0.002161850731  0.004372273432
  28  Al  4.050025786838  4.054006438587  4.060655061575  -0.011656131883  -0.005787872132  -0.071333841396  0.001023851340  0.002015976071  0.003636931408
  29  Al  4.028937184238  6.074418194483  6.094463277101  0.094024040880  -0.015235289626  -0.064621396084  -0.004204025588  0.001371074948  0.006347504415
  30  Al  6.073477657202  4.028403917561  6.072519887735  -0.002606026683  0.013826748820  0.019130229237  0.001153024033  -0.004384140802  0.000895956965
  31  Al  6.085065367197  6.061677946762  4.044523778192  -0.037190726674  0.019584229980  -0.046580046195  0.004036479497  -0.001801694996  -0.000388752927


MDSTEP:  9
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.089679393637  0.000000000000  0.000000000000
  0.000003320828  8.089743077373  0.000000000000
  -0.000010118836  0.000002464793  8.089865547357
VIRIAL (kbar)
  -80.462631264944  -0.020116348309  0.001777220719
  -0.020116348309  -80.476719324125  -0.089211370723
  0.001777220719  -0.089211370723  -80.076465021099
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.069828478023  8.083980203548  8.080812559461  0.055962241742  0.003162063192  -0.042276706292  -0.004387110865  -0.001280903493  -0.002037031395
  1  Al  8.080323179520  2.008980356377  2.004563055081  0.055829502931  0.031989636047  0.002797363918  -0.002051602435  -0.002978284944  -0.003984132159
  2  Al  2.011114251053  8.071336687791  2.012464668443  0.024992037489  -0.003783632368  0.046292770514  -0.002502840046  -0.004099404315  -0.002201528473
  3  Al  2.010346583678  2.016813710682  8.086689394762  0.013118210184  -0.007845793676  -0.075028775133  -0.002677551876  -0.001256120728  -0.000746848337
  4  Al  0.003077364822  8.075564142333  4.073723988669  0.045398856752  0.006144414543  -0.080991158982  0.000709802503  -0.003152257391  0.006366117380
  5  Al  0.002580277703  2.022177778750  6.078327346823  -0.008103731173  -0.010920264566  -0.030058187857  0.000571078078  -0.000063287591  0.002417753972
  6  Al  2.017349915512  8.086650078431  6.063206001795  -0.029021054632  0.073458103572  0.012720074376  -0.001143007304  -0.000648391973  -0.000925944446
  7  Al  2.021072651392  2.026433810920  4.055982348521  -0.011910635247  -0.030584319056  0.017410814151  -0.000304815490  0.000873160891  0.002469272635
  8  Al  8.081920262853  4.062262207137  8.065128045684  -0.000401186362  -0.049547728187  0.046684712187  -0.001725019608  0.003844189099  -0.005480745076
  9  Al  0.005654359491  6.064983761935  2.020569699090  0.006941205707  -0.002473140921  0.037956267107  0.001262784078  -0.000517813287  -0.000401947073
  10  Al  2.033449778764  4.024171218677  2.019463114899  -0.023504622790  0.134784870182  0.052907873995  0.002443900584  -0.004535090346  -0.000640647052
  11  Al  2.026857218802  6.073286878728  0.020313420706  -0.044974762951  0.009114040058  0.050265764075  0.000963267288  0.001337231612  0.004549370827
  12  Al  8.079364022077  4.051433346349  4.029066761021  0.069750457671  0.011988502102  0.064974516449  -0.002257488422  0.001467756762  -0.003496168075
  13  Al  0.001594019587  6.060766779490  6.050586878919  0.003123285031  0.007299623947  0.033347907598  0.000358160404  -0.001451619203  -0.003723264559
  14  Al  2.019396645197  4.037924849925  6.074806501609  -0.042765169860  -0.052419248536  -0.040425360986  -0.000694616020  -0.001574822245  0.001628441418
  15  Al  2.040201943125  6.070079865177  4.026548000157  -0.080488013584  -0.029586220331  -0.021758516667  0.003916269443  0.000601784976  -0.004104665890
  16  Al  4.065712461027  0.022344563501  8.088861458994  -0.013130930306  -0.001365889048  0.060753150115  0.004641890051  0.004973452863  -0.000190012071
  17  Al  4.019826989559  2.002945100055  2.019497156594  0.087761236586  0.035179120953  -0.006662319917  -0.005519777668  -0.004319910582  -0.000664842685
  18  Al  6.084008163543  8.070975442195  2.000140731959  -0.080793495809  -0.012807075072  0.030604093572  0.003685291614  -0.004184186367  -0.004954397595
  19  Al  6.074464565746  2.044243513154  8.062852331138  -0.067871141227  -0.066663041649  -0.001748198653  0.001569475885  0.004818839914  -0.006014085826
  20  Al  4.051349494728  0.023751952722  4.047171854096  -0.032576936771  -0.077662012412  -0.016756108186  0.001433257935  0.005245661238  0.000490017408
  21  Al  4.049638581933  2.015683841543  6.071902833747  0.011377439765  0.028078039255  0.046292792140  0.001076308470  -0.001488650504  0.001028655980
  22  Al  6.067448558114  0.001580168518  6.069877733406  0.011545845331  0.080237806675  0.026883012777  0.000050552609  0.000394857132  0.000567482701
  23  Al  6.084547929944  2.025871835284  4.038548161240  -0.052486716182  -0.004225337792  0.086934927817  0.003821696901  0.000762415444  -0.001373753694
  24  Al  4.048982146002  4.042605688399  0.024277899973  0.032259912856  -0.024178861453  -0.068360698506  0.000939775114  -0.000516955619  0.005368112076
  25  Al  4.036881766223  6.088935230762  2.042958512574  0.013504361587  -0.045169754126  -0.038834315483  -0.001764469433  0.004790469523  0.004540863268
  26  Al  6.055994583113  4.060984132287  2.007507684384  -0.005509318066  0.022097278837  0.025604534441  -0.002510587458  0.003599097307  -0.003317257421
  27  Al  6.058586612631  6.077083176973  0.019696870605  0.014614813371  -0.039041732240  -0.031927208338  -0.001922553427  0.002155909747  0.004368099860
  28  Al  4.049458403182  4.053941953595  4.061409735280  -0.013699254918  -0.005894513825  -0.080262034928  0.001021867627  0.002015481998  0.003624359810
  29  Al  4.025765829542  6.073496469687  6.096042328262  0.104830994044  -0.017889236688  -0.073497172937  -0.004187399047  0.001368486481  0.006336870311
  30  Al  6.072436117371  4.025147122872  6.071382627663  -0.002452296027  0.016649334787  0.019222966606  0.001152891610  -0.004382615547  0.000899628288
  31  Al  6.085461628097  6.059174641428  4.043270920479  -0.041321135142  0.021874967796  -0.053066778970  0.004030571095  -0.001798480853  -0.000397767536


MDSTEP:  10
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.087279617329  0.000000000000  0.000000000000
  0.000004069069  8.087358195553  0.000000000000
  -0.000012447418  0.000002934425  8.087511771627
VIRIAL (kbar)
  -79.786083912513  -0.024677565205  0.002259982032
  -0.024677565205  -79.803762778453  -0.109977974017
  0.002259982032  -0.109977974017  -79.309226749085
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.065241944632  8.080957176935  8.077441007407  0.061182813466  0.004657003475  -0.048112856561  -0.004377983999  -0.001280594534  -0.002045726988
  1  Al  8.076902475645  2.006900499125  2.001987869062  0.060368772150  0.034262479871  0.000546583705  -0.002041844032  -0.002973268570  -0.003985033306
  2  Al  2.009267519015  8.066907467753  2.010780433715  0.029555588749  -0.002070915890  0.048707543949  -0.002498730639  -0.004101177778  -0.002193697399
  3  Al  2.008409880834  2.015591203655  8.083959763819  0.016320165000  -0.010284228543  -0.084100420011  -0.002675741472  -0.001258124778  -0.000761301488
  4  Al  0.003432958843  8.071607814925  4.075718178927  0.048898600978  0.008021766444  -0.089490065980  0.000718458026  -0.003151954357  0.006352791848
  5  Al  0.002863126301  2.021549855593  6.077766375132  -0.010226446325  -0.014230663850  -0.031028286023  0.000569616231  -0.000065556443  0.002413020361
  6  Al  2.016177673250  8.083945546459  6.060979483950  -0.030025474816  0.082679037583  0.017525297153  -0.001148638032  -0.000634628829  -0.000923519046
  7  Al  2.020319185016  2.026271863247  4.056037666445  -0.011314632677  -0.035427709527  0.020338919009  -0.000306984263  0.000867524205  0.002473391760
  8  Al  8.078658306943  4.062984998481  8.060043167517  -0.001854647661  -0.055951995967  0.051284405595  -0.001725756681  0.003835930498  -0.005473636350
  9  Al  0.006284366956  6.062936884578  2.019782528838  0.005727386286  -0.001277240663  0.039305888180  0.001264304347  -0.000518306475  -0.000395159930
  10  Al  2.034067259701  4.020723465053  2.018557584253  -0.024785666098  0.148498975496  0.056470743647  0.002440334593  -0.004511144490  -0.000631060191
  11  Al  2.026736141424  6.072165481991  0.022584453889  -0.047879100934  0.011217708832  0.053904658879  0.000955263350  0.001339456129  0.004560055395
  12  Al  8.075840886690  4.050973623359  4.026149300471  0.076374865297  0.011693000539  0.073127080502  -0.002245119104  0.001470323029  -0.003484873181
  13  Al  0.001771584608  6.058254911282  6.046966287449  0.001153153242  0.009667949664  0.040037971440  0.000358650625  -0.001450543826  -0.003717824483
  14  Al  2.018447000357  4.035945052143  6.073851432708  -0.045194346045  -0.059148991218  -0.042416548802  -0.000702691973  -0.001585278824  0.001621524830
  15  Al  2.041550672573  6.068590192523  4.023323145634  -0.087797300956  -0.031345160954  -0.022240130518  0.003902421206  0.000596521751  -0.004109836376
  16  Al  4.066824421207  0.024825124520  8.086415684141  -0.013016865006  -0.001221213552  0.066359600465  0.004640974296  0.004974738906  -0.000178703808
  17  Al  4.015878144672  2.000196349021  2.018576855787  0.099504167619  0.037780444860  -0.010143245317  -0.005504726297  -0.004314704778  -0.000666545587
  18  Al  6.084042577971  8.066503533578  1.997082940230  -0.092094737144  -0.012269412609  0.032289373925  0.003670962584  -0.004187703558  -0.004950266528
  19  Al  6.073442169089  2.046047785621  8.057499278756  -0.077291052742  -0.076602544442  -0.001427575505  0.001556971424  0.004807502065  -0.006016181401
  20  Al  4.050861687405  0.026364558775  4.046238575822  -0.034609620242  -0.085730786814  -0.017697797239  0.001427688343  0.005232652017  0.000487084397
  21  Al  4.048974372608  2.014346890425  6.070652591150  0.014259126639  0.029993029297  0.054050061476  0.001078932541  -0.001483912670  0.001037937772
  22  Al  6.065672713034  0.001781071194  6.068396624730  0.010659454384  0.089856919505  0.032421384073  0.000052553800  0.000410186091  0.000572956213
  23  Al  6.084650504933  2.025655857562  4.036690136077  -0.060651579790  -0.006409514753  0.097231397452  0.003812752461  0.000761697560  -0.001357700692
  24  Al  4.048252728799  4.041154356812  0.026951850581  0.037264463864  -0.028149678712  -0.077849792397  0.000946284182  -0.000521793792  0.005356656028
  25  Al  4.034802578313  6.089533540018  2.044632813867  0.017478738412  -0.048408517720  -0.046455196623  -0.001762239614  0.004783562535  0.004534605140
  26  Al  6.052942343087  4.061587603599  2.005266099993  -0.007466354969  0.022773275543  0.026580119534  -0.002512522411  0.003604208328  -0.003313590703
  27  Al  6.055829282243  6.076367849960  0.021873773772  0.013991188742  -0.041946354021  -0.037747906982  -0.001920583538  0.002149324782  0.004363185817
  28  Al  4.048766674171  4.053754557264  4.062036655286  -0.013466317756  -0.007274131943  -0.087662983954  0.001019754039  0.002014918349  0.003610436937
  29  Al  4.022481380833  6.072389784962  6.097433828983  0.118043692689  -0.018264912525  -0.078509287687  -0.004168752311  0.001365669430  0.006325187848
  30  Al  6.071209712122  4.021770274987  6.070066812415  -0.004931075665  0.018625173501  0.022610354905  0.001152588063  -0.004380798876  0.000903639715
  31  Al  6.085669241229  6.056490345392  4.041893259643  -0.048176958695  0.026287209094  -0.057909290288  0.004023806449  -0.001794723094  -0.000407810031


MDSTEP:  11
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.084636564630  0.000000000000  0.000000000000
  0.000004882820  8.084731585631  0.000000000000
  -0.000015000918  0.000003405846  8.084920592959
VIRIAL (kbar)
  -79.038408423173  -0.029646440852  0.002605615382
  -0.029646440852  -79.059648455875  -0.132895938374
  0.002605615382  -0.132895938374  -78.460037160741
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.060418084083  8.077693025070  8.073828035743  0.070094720826  0.004375362335  -0.051674826874  -0.004367728401  -0.001280217032  -0.002055328534
  1  Al  8.073244153537  2.004763704252  1.999353943471  0.068499639378  0.039154005488  0.002889676860  -0.002031014003  -0.002967702968  -0.003986048964
  2  Al  2.007362983938  8.062236924288  2.009041516530  0.030368395173  -0.001896146170  0.055425266817  -0.002494217786  -0.004102911298  -0.002185114695
  3  Al  2.006413998045  2.014307527131  8.080985311622  0.015554179182  -0.010289267278  -0.090838075155  -0.002673796882  -0.001260387293  -0.000777196189
  4  Al  0.003792779075  8.067410930446  4.077584763567  0.055722110527  0.008136382558  -0.100534311878  0.000728062579  -0.003151571692  0.006337909916
  5  Al  0.003144825314  2.020860237632  6.077024234264  -0.008827444548  -0.014949273265  -0.036465124441  0.000568107300  -0.000068188325  0.002407786546
  6  Al  2.014941987841  8.081006777866  6.058576612266  -0.034722341936  0.089946233420  0.017922211654  -0.001154816542  -0.000619406843  -0.000920656118
  7  Al  2.019503835387  2.026046189216  4.055975754029  -0.014571532292  -0.037765161048  0.020887367644  -0.000309401168  0.000861270767  0.002477899062
  8  Al  8.075152965205  4.063581369987  8.054726247873  0.000232889048  -0.060621724860  0.058076181460  -0.001726492148  0.003826799040  -0.005465675047
  9  Al  0.006914697189  6.060708671842  2.018939581115  0.007766695705  -0.002575016587  0.044943863231  0.001265938699  -0.000518825141  -0.000387757993
  10  Al  2.034621327680  4.017168785255  2.017597845332  -0.029987813287  0.164118344821  0.064461589756  0.002436264688  -0.004484709201  -0.000620456625
  11  Al  2.026549871375  6.070863600054  0.024859667795  -0.054579980105  0.010643806770  0.059704460425  0.000946428324  0.001341860021  0.004571727453
  12  Al  8.072081554255  4.050393872938  4.023120173887  0.086461392561  0.012893087384  0.079034712763  -0.002231322548  0.001473016984  -0.003472424638
  13  Al  0.001949081487  6.055562822418  6.043171750972  0.002654270558  0.009469890233  0.042339603484  0.000359110148  -0.001449319411  -0.003711692968
  14  Al  2.017432458032  4.033839326276  6.072714287172  -0.051385186967  -0.063795868485  -0.048812780626  -0.000711563212  -0.001596805566  0.001613905936
  15  Al  2.042830097620  6.066916334432  4.019978178957  -0.098928523412  -0.035685645075  -0.024359344681  0.003887042122  0.000590730124  -0.004115367366
  16  Al  4.067812681079  0.027304863164  8.083738470014  -0.016232856760  -0.003062240209  0.074329566266  0.004639926707  0.004976029255  -0.000166183534
  17  Al  4.011817323162  1.997391167595  2.017596390748  0.107754041889  0.042972118250  -0.009012982134  -0.005488055508  -0.004308935432  -0.000668479697
  18  Al  6.083885772318  8.061789401739  1.993969385449  -0.099643851556  -0.013551861053  0.038697331188  0.003655058772  -0.004191419428  -0.004945562650
  19  Al  6.072229963466  2.047784082937  8.051909544258  -0.082867838017  -0.084130058055  0.001121442224  0.001543170365  0.004794749134  -0.006018205960
  20  Al  4.050248824875  0.028968741778  4.045184943678  -0.040092949166  -0.095728041387  -0.020879375293  0.001421489656  0.005218186903  0.000483796750
  21  Al  4.048189492987  2.012952405824  6.069228986643  0.013781225494  0.034555770400  0.057360213193  0.001081806484  -0.001478640526  0.001048243987
  22  Al  6.063715188501  0.001989957277  6.066740284277  0.013428104580  0.097574461358  0.033534387483  0.000054725611  0.000427082936  0.000579043794
  23  Al  6.084564547316  2.025378765969  4.034722301862  -0.065034595889  -0.006027345639  0.105162802739  0.003802803030  0.000760842137  -0.001340054507
  24  Al  4.047404904580  4.039579716629  0.029618079353  0.038979413489  -0.030143129746  -0.085281157296  0.000953426350  -0.000527183129  0.005343848061
  25  Al  4.032603563669  6.089945533550  2.046242967975  0.018234380024  -0.054353762839  -0.049926176411  -0.001759641469  0.004775981743  0.004527492633
  26  Al  6.049707316814  4.062071731848  2.002968010795  -0.005656255900  0.025245819722  0.032365153069  -0.002514550578  0.003609715231  -0.003309420173
  27  Al  6.052891073974  6.075467163750  0.024046683845  0.016985055802  -0.047532932956  -0.041486062268  -0.001918461288  0.002142045681  0.004357549624
  28  Al  4.047951874589  4.053445356839  4.062536519788  -0.016555492892  -0.006772284231  -0.097414492286  0.001017416633  0.002014339047  0.003595086950
  29  Al  4.019086341456  6.071099973964  6.098639359633  0.127719825967  -0.021269575864  -0.087963616434  -0.004148183749  0.001362591928  0.006312402586
  30  Al  6.069800106661  4.018274860561  6.068574841058  -0.003783974772  0.022738956632  0.021472621947  0.001152201867  -0.004378574126  0.000907881336
  31  Al  6.085689440776  6.053627364452  4.040391772795  -0.051365702702  0.028325095377  -0.065080126426  0.004016268140  -0.001790443518  -0.000418942402


MDSTEP:  12
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.081753031180  0.000000000000  0.000000000000
  0.000005758255  8.081866037359  0.000000000000
  -0.000017773401  0.000003865049  8.082095116503
VIRIAL (kbar)
  -78.218255238543  -0.034842415240  0.003135841019
  -0.034842415240  -78.243883719698  -0.158091628481
  0.003135841019  -0.158091628481  -77.529829462320
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.055360545435  8.074190514403  8.069976455622  0.076327837797  0.005418244102  -0.057107491858  -0.004356251408  -0.001279811057  -0.002065800246
  1  Al  8.069351761676  2.002571139840  1.996662311547  0.073832378139  0.042893159151  0.002764138800  -0.002019039846  -0.002961455782  -0.003986988041
  2  Al  2.005401446261  8.057327910132  2.007249319808  0.034048522413  -0.000263970882  0.059740871240  -0.002489379435  -0.004104611158  -0.002175608985
  3  Al  2.004359604124  2.012963379703  8.077768550167  0.017768343740  -0.011620990304  -0.099467759408  -0.002671805592  -0.001262809232  -0.000794494147
  4  Al  0.004157425759  8.062976320903  4.079324232240  0.059846025526  0.009471177810  -0.109891591365  0.000738672691  -0.003151157008  0.006321391555
  5  Al  0.003425496234  2.020109548362  6.076102738323  -0.010153367107  -0.017023542744  -0.039551818476  0.000566622273  -0.000071072957  0.002401862079
  6  Al  2.013643153302  8.077837209347  6.055999762074  -0.036309034600  0.098468165937  0.021024972417  -0.001161595183  -0.000602786928  -0.000917507299
  7  Al  2.018627016128  2.025757259560  4.055798183382  -0.015034261013  -0.041340351667  0.023472743212  -0.000312161032  0.000854513180  0.002482763578
  8  Al  8.071407245361  4.064052237609  8.049181064235  -0.000336740592  -0.066555921359  0.063237679369  -0.001727146570  0.003816834882  -0.005456808569
  9  Al  0.007545515320  6.058301102948  2.018042140893  0.007006738194  -0.002717146173  0.048308429566  0.001267727540  -0.000519488839  -0.000379560325
  10  Al  2.035112185724  4.013510022756  2.016585396240  -0.032594933973  0.178566240712  0.070166995802  0.002431571247  -0.004455715257  -0.000608643609
  11  Al  2.026298493812  6.069383257262  0.027139526510  -0.058179878034  0.011275363077  0.063240095492  0.000936698939  0.001344311572  0.004584377477
  12  Al  8.068089751073  4.049695572027  4.019981503407  0.094012664502  0.012849780740  0.086757642282  -0.002216013954  0.001475860988  -0.003458858704
  13  Al  0.002126641499  6.052692594998  6.039205848364  0.001382517287  0.010544972790  0.047087641566  0.000359601353  -0.001448061136  -0.003705041972
  14  Al  2.016353175093  4.031608660982  6.071396802784  -0.054450104558  -0.069644067770  -0.052925638241  -0.000721287237  -0.001609324311  0.001605393854
  15  Al  2.044039873466  6.065059980855  4.016514512250  -0.107330859300  -0.038824544023  -0.024435771427  0.003870032001  0.000584285982  -0.004121221889
  16  Al  4.068678298873  0.029783539165  8.080833636310  -0.016786046790  -0.003855391503  0.080278168137  0.004638686356  0.004977238882  -0.000152419436
  17  Al  4.007646729590  1.994530767290  2.016556646764  0.118961168756  0.046801593663  -0.010604718121  -0.005469810241  -0.004302491099  -0.000670476092
  18  Al  6.083539120358  8.056835770249  1.990801475713  -0.110273062119  -0.013405094260  0.042832907211  0.003637637815  -0.004195368218  -0.004940064946
  19  Al  6.070829532533  2.049452356119  8.046086532364  -0.091472514516  -0.093312561223  0.002163601143  0.001528143931  0.004780646274  -0.006020093333
  20  Al  4.049511799864  0.031563536212  4.044012220028  -0.042842020648  -0.104651716861  -0.022214969278  0.001414596870  0.005202186754  0.000480118785
  21  Al  4.047285288204  2.011501500926  6.067634632575  0.016020007693  0.037931838602  0.063221534060  0.001084872803  -0.001472702538  0.001059405765
  22  Al  6.061578332538  0.002207500998  6.064911133542  0.013201787543  0.106580914049  0.037159947973  0.000057127245  0.000445494366  0.000585574818
  23  Al  6.084291716428  2.025041275675  4.032646936279  -0.072360255508  -0.006979114562  0.115097529130  0.003791921730  0.000759959070  -0.001320845482
  24  Al  4.046440210773  4.037882990970  0.032275858207  0.043235702596  -0.033542233448  -0.094944922456  0.000961135121  -0.000533072852  0.005329669766
  25  Al  4.030286208250  6.090172709393  2.047789386909  0.021997913971  -0.058798238065  -0.056050391275  -0.001756693118  0.004767617475  0.004519657533
  26  Al  6.046291793710  4.062438084764  2.000614749702  -0.006372452161  0.026367584868  0.035847447291  -0.002516560518  0.003615657414  -0.003304520304
  27  Al  6.049774373321  6.074382684591  0.026215214694  0.016966522140  -0.051657971376  -0.047334875963  -0.001916131908  0.002133962132  0.004351186912
  28  Al  4.047015114433  4.053015760057  4.062909966683  -0.017008903212  -0.007405704182  -0.104884375408  0.001014793556  0.002013810296  0.003578301224
  29  Al  4.015583027819  6.069628832925  6.099660328606  0.139972045062  -0.022968591728  -0.094795333620  -0.004125776266  0.001359135082  0.006298348835
  30  Al  6.068209488493  4.014662686012  6.066908929944  -0.005654336982  0.025654790873  0.022321432420  0.001151787069  -0.004375855861  0.000912126235
  31  Al  6.085523988316  6.050587988322  4.038767376383  -0.057421404242  0.031743325757  -0.070514120214  0.004008025958  -0.001785730117  -0.000431218460


MDSTEP:  13
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.078632079092  0.000000000000  0.000000000000
  0.000006691352  8.078764604643  0.000000000000
  -0.000020758245  0.000004296701  8.079038738028
VIRIAL (kbar)
  -77.326410039157  -0.040504917378  0.004095449038
  -0.040504917378  -77.356234005055  -0.185972672899
  0.004095449038  -0.185972672899  -76.517328195327
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.050073002577  8.070452791895  8.065889200415  0.084934379065  0.005434331396  -0.062061858771  -0.004343577957  -0.001279349620  -0.002077266920
  1  Al  8.065228863661  2.000323934887  1.993913856000  0.081175945718  0.046951721326  0.004436170820  -0.002005990233  -0.002954600081  -0.003987909302
  2  Al  2.003384027860  8.052183669826  2.005405102877  0.035566205586  0.000730956779  0.065517930377  -0.002484151452  -0.004106203006  -0.002165262773
  3  Al  2.002247700003  2.011559405393  8.074312112649  0.017614438632  -0.012699753504  -0.107398528369  -0.002669711998  -0.001265486472  -0.000813303353
  4  Al  0.004527258222  8.058307189088  4.080937374912  0.065784154937  0.010037342172  -0.120215206725  0.000750209999  -0.003150668961  0.006303297592
  5  Al  0.003705017760  2.019298355135  6.075004131063  -0.009434734711  -0.018730542420  -0.044344738408  0.000565100066  -0.000074298944  0.002395303164
  6  Al  2.012281808065  8.074440652365  6.053251767950  -0.040130693826  0.105900924607  0.022732793575  -0.001168896020  -0.000584752579  -0.000913954785
  7  Al  2.017689457434  2.025405500322  4.055506855515  -0.017790743562  -0.044479352944  0.025383661904  -0.000315219322  0.000847178959  0.002488106770
  8  Al  8.067424183661  4.064398537317  8.043411535407  0.001095015701  -0.071422385970  0.069216383779  -0.001727778094  0.003806018407  -0.005447107013
  9  Al  0.008176736955  6.055716457927  2.017091362208  0.008243153837  -0.003256974948  0.052966795889  0.001269598898  -0.000520229753  -0.000370653611
  10  Al  2.035540336990  4.009750045120  2.015521602883  -0.037644693655  0.194124602585  0.077377493467  0.002426266692  -0.004424164157  -0.000595689571
  11  Al  2.025982438258  6.067726784582  0.029424294417  -0.064133659756  0.011534474921  0.067424366706  0.000926140800  0.001346885112  0.004597860673
  12  Al  8.063869242036  4.048880218618  4.016735716409  0.103729578268  0.013371600610  0.093977940576  -0.002199224236  0.001478794181  -0.003444055673
  13  Al  0.002304148590  6.049646621219  6.035071592748  0.001787703295  0.011416130036  0.050557749204  0.000360026191  -0.001446672943  -0.003697765242
  14  Al  2.015209654620  4.029254067859  6.069901140541  -0.059643557421  -0.074601686981  -0.058880048179  -0.000731775592  -0.001622863524  0.001596026740
  15  Al  2.045179968527  6.063023127035  4.012933883060  -0.117946277224  -0.042335001305  -0.024724658124  0.003851434244  0.000577262702  -0.004127235441
  16  Al  4.069422707462  0.032261007427  8.077705112356  -0.019549785403  -0.006012046260  0.087018044153  0.004637292270  0.004978338238  -0.000137520171
  17  Al  4.003368962869  1.991616301015  2.015458338036  0.128151163389  0.051080351209  -0.010357479542  -0.005449903216  -0.004295451585  -0.000672613660
  18  Al  6.083003922649  8.051645751935  1.987580485448  -0.118628443850  -0.013997857720  0.049115664146  0.003618624970  -0.004199487481  -0.004933782415
  19  Al  6.069242390825  2.051052475851  8.040033799945  -0.097463445177  -0.102268098291  0.004070823641  0.001511853306  0.004765063053  -0.006021899054
  20  Al  4.048651884020  0.034148075054  4.042721977926  -0.047605369632  -0.114901088341  -0.024170469689  0.001407073302  0.005184626044  0.000476159617
  21  Al  4.046263480541  2.009995246961  6.065872587845  0.016060442097  0.041832579048  0.067324511460  0.001088177804  -0.001466156872  0.001071494648
  22  Al  6.059264425787  0.002434490830  6.062912036881  0.015254475803  0.114289203208  0.039008607199  0.000059694898  0.000465421132  0.000592615436
  23  Al  6.083833610998  2.024644048420  4.030466640325  -0.077311317791  -0.007668039458  0.124235764370  0.003780055708  0.000758952297  -0.001299963554
  24  Al  4.045360545583  4.036065409156  0.034924263019  0.045528229600  -0.035658712122  -0.104113475707  0.000969462550  -0.000539474311  0.005313962753
  25  Al  4.027852399140  6.090216900364  2.049272321084  0.023883583031  -0.063695343542  -0.060840466215  -0.001753292716  0.004758561380  0.004510979711
  26  Al  6.042698035859  4.062688243039  1.998207514280  -0.004855938047  0.028302019203  0.041116193140  -0.002518577892  0.003621986260  -0.003298935647
  27  Al  6.046481495056  6.073116308840  0.028378794313  0.019144953108  -0.056465797356  -0.053050477914  -0.001913667564  0.002125142429  0.004343918827
  28  Al  4.045957873434  4.052467205737  4.063157985628  -0.019465916452  -0.007009195765  -0.113027458973  0.001011940778  0.002013322146  0.003560220898
  29  Al  4.011974117570  6.067978472756  6.100498600863  0.150495824276  -0.025032656353  -0.103392845377  -0.004101450864  0.001355382332  0.006283099889
  30  Al  6.066439976296  4.010935579224  6.065071691492  -0.005279071087  0.030079819585  0.021425272354  0.001151274289  -0.004372614687  0.000916395982
  31  Al  6.085174591578  6.047374826496  4.037021287325  -0.061565598752  0.035148476592  -0.076328454767  0.003998992584  -0.001780459695  -0.000444517932


MDSTEP:  14
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.075277033283  0.000000000000  0.000000000000
  0.000007677763  8.075430605092  0.000000000000
  -0.000023947804  0.000004683929  8.075755146378
VIRIAL (kbar)
  -76.361447248865  -0.046500842395  0.004932052425
  -0.046500842395  -76.397562632099  -0.214841460457
  0.004932052425  -0.214841460457  -75.424499089611
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.044559602214  8.066483174064  8.061569538053  0.089682439186  0.007792326105  -0.067131522375  -0.004329838281  -0.001278714715  -0.002089696458
  1  Al  8.060879464413  1.998023310551  1.991109690779  0.084708338482  0.051153130629  0.002995508675  -0.001992024312  -0.002947093029  -0.003988929009
  2  Al  2.001311721304  8.046807651725  2.003510327365  0.040726675347  0.004409553607  0.068847343139  -0.002478400248  -0.004107502705  -0.002154162544
  3  Al  2.000079139867  2.010096334465  8.070618987516  0.021413254184  -0.013634728278  -0.115398577339  -0.002667373440  -0.001268383435  -0.000833568948
  4  Al  0.004902798485  8.053406930050  4.082425046269  0.068343820040  0.012823938347  -0.130198692988  0.000762535462  -0.003149976665  0.006283568146
  5  Al  0.003983452436  2.018427322900  6.073730725242  -0.012410727335  -0.020753476636  -0.046403192332  0.000563392848  -0.000077861983  0.002388200272
  6  Al  2.010858456271  8.070821082950  6.050335558895  -0.039875831529  0.115462421142  0.027230018149  -0.001176554695  -0.000565209008  -0.000909873197
  7  Al  2.016691750421  2.024991442319  4.055103759320  -0.016397209051  -0.047888384322  0.027422446470  -0.000318410269  0.000839282055  0.002493879411
  8  Al  8.063207257882  4.064621433352  8.037421942455  -0.001320403158  -0.078582783506  0.075104816102  -0.001728551255  0.003794237769  -0.005436502582
  9  Al  0.008808456946  6.052957178335  2.016088587658  0.005571125680  -0.003730071197  0.054941480589  0.001271381567  -0.000521077400  -0.000361161191
  10  Al  2.035906133636  4.005891947473  2.014408038408  -0.038893389942  0.207050663480  0.081959095069  0.002420471180  -0.004390187712  -0.000581693567
  11  Al  2.025601989983  6.065896678268  0.031714296864  -0.065995819682  0.011582811704  0.070432560255  0.000914908028  0.001349528344  0.004612129425
  12  Al  8.059424247205  4.047949493183  4.013385339307  0.109593194265  0.011828313160  0.101450857620  -0.002181101998  0.001481682176  -0.003428035335
  13  Al  0.002481637359  6.046427470746  6.030772100173  -0.001732140761  0.012106342205  0.056827423846  0.000360183541  -0.001445188715  -0.003689724754
  14  Al  2.014002275404  4.026776767996  6.068229517832  -0.060612732350  -0.081398537625  -0.061769969922  -0.000742841624  -0.001637508767  0.001585912496
  15  Al  2.046250221981  6.060807932450  4.009238153722  -0.124920800071  -0.045629636431  -0.024453927887  0.003831373599  0.000569645481  -0.004133375977
  16  Al  4.070047277434  0.034737002494  8.074357191000  -0.018548760385  -0.006051000545  0.093177460073  0.004635881906  0.004979393296  -0.000121465500
  17  Al  3.998986569502  1.988649024616  2.014302416005  0.141620365784  0.055513181084  -0.012753851447  -0.005428128649  -0.004287760993  -0.000674964301
  18  Al  6.082281882566  8.046222654269  1.984307950834  -0.131170955391  -0.011765748443  0.052645473634  0.003597846262  -0.004203589870  -0.004926766831
  19  Al  6.067470485749  2.052584400653  8.033755270169  -0.107471563763  -0.111569071099  0.006645393064  0.001494171060  0.004747985842  -0.006023484090
  20  Al  4.047670301814  0.036721375450  4.041315881924  -0.048554477949  -0.122634504865  -0.025888214352  0.001399078777  0.005165607962  0.000471884560
  21  Al  4.045125728477  2.008434825832  6.063945974539  0.019938692396  0.045901383511  0.073990585488  0.001091868055  -0.001458940492  0.001084583314
  22  Al  6.056776150509  0.002671598054  6.060745919919  0.013290198391  0.124034224547  0.043622610724  0.000062273371  0.000486930971  0.000600254450
  23  Al  6.083192242093  2.024187835082  4.028184089161  -0.086961123162  -0.008300392571  0.133430951148  0.003766994894  0.000757850028  -0.001277472490
  24  Al  4.044167763390  4.034128446775  0.037562417801  0.051407098975  -0.040376096621  -0.114128778515  0.000978554182  -0.000546505761  0.005296692206
  25  Al  4.025303985832  6.090080099296  2.050692216668  0.029967054253  -0.068384380393  -0.068392081561  -0.001749231901  0.004748789385  0.004501329119
  26  Al  6.038928700607  4.062823993644  1.995747732733  -0.006981710061  0.027461258077  0.043863770353  -0.002520728097  0.003628525707  -0.003292730151
  27  Al  6.043015145998  6.071670071030  0.030536865687  0.017490370817  -0.061256119762  -0.059701507312  -0.001911213775  0.002115525661  0.004335671341
  28  Al  4.044781584624  4.051801357120  4.063281655325  -0.017825147457  -0.009134137926  -0.120655465218  0.001009044981  0.002012740647  0.003540829007
  29  Al  4.008262262890  6.066151169251  6.101156107838  0.164736238091  -0.027188769380  -0.108892499973  -0.004075026280  0.001351292120  0.006266771298
  30  Al  6.064494087940  4.007095630936  6.063065802498  -0.009038296859  0.032851512041  0.022785018093  0.001150494197  -0.004368861770  0.000920736211
  31  Al  6.084643329158  6.043990683127  4.035154834947  -0.069777776986  0.038306779961  -0.081604531272  0.003988973109  -0.001774654422  -0.000458827745


MDSTEP:  15
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.071691484513  0.000000000000  0.000000000000
  0.000008712905  8.071867615885  0.000000000000
  -0.000027334007  0.000005009358  8.072248315608
VIRIAL (kbar)
  -75.324688572636  -0.053014048733  0.005919109049
  -0.053014048733  -75.366648187040  -0.246952635322
  0.005919109049  -0.246952635322  -74.249134870819
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.038824409022  8.062285444999  8.057021009989  0.098776333048  0.007945473634  -0.071553670253  -0.004314986103  -0.001277893587  -0.002103041636
  1  Al  8.056307492481  1.995670563447  1.988250719932  0.092401398503  0.055545157613  0.005192329590  -0.001977108939  -0.002938903167  -0.003989998855
  2  Al  1.999185909401  8.041203800816  2.001566305644  0.041918488259  0.006335377027  0.075027093272  -0.002472153591  -0.004108425671  -0.002142270509
  3  Al  1.997855196259  2.008574973616  8.066692441883  0.020946132910  -0.014597552253  -0.122585381911  -0.002664816820  -0.001271489626  -0.000855225914
  4  Al  0.005284266861  8.048279394555  4.083788278911  0.074563543187  0.013926462181  -0.141317158476  0.000775675078  -0.003149030947  0.006262127940
  5  Al  0.004260533174  2.017497152878  6.072285293844  -0.011281374082  -0.022604223683  -0.051816180924  0.000561536972  -0.000081775237  0.002380496416
  6  Al  2.009374032356  8.066982925990  6.047254526466  -0.043585857875  0.122970288768  0.028892183574  -0.001184561468  -0.000544147491  -0.000905265814
  7  Al  2.015634923656  2.024515657546  4.054591039493  -0.019514788236  -0.051121293025  0.028555232714  -0.000321766313  0.000830813109  0.002500011515
  8  Al  8.058759866852  4.064722016852  8.031216839429  0.000704469475  -0.083595958657  0.081638914462  -0.001729412539  0.003781477441  -0.005424942578
  9  Al  0.009440421500  6.050025905906  2.015034990831  0.006709123854  -0.004297278754  0.059714918952  0.001273066409  -0.000522034162  -0.000351071830
  10  Al  2.036210335794  4.001938715876  2.013246111629  -0.044363363844  0.222265423072  0.089632489039  0.002414145777  -0.004353812138  -0.000566612716
  11  Al  2.025157867109  6.063895611283  0.034009757273  -0.071927170008  0.011322723530  0.074225627947  0.000903001351  0.001352194649  0.004627148213
  12  Al  8.054758906376  4.046905022052  4.009933060963  0.119662468073  0.011722765690  0.108168641793  -0.002161613330  0.001484468514  -0.003410839883
  13  Al  0.002658791892  6.043037890371  6.026310948043  -0.001161425863  0.012734719512  0.060315663986  0.000360087987  -0.001443629608  -0.003680916712
  14  Al  2.012731860194  4.024177946563  6.066384641225  -0.065826552507  -0.085939015147  -0.067769211765  -0.000754487846  -0.001653223558  0.001575045605
  15  Al  2.047250867862  6.058416770777  4.005429376243  -0.135798705547  -0.049273272535  -0.024456672529  0.003809823510  0.000561421462  -0.004139616789
  16  Al  4.070553852445  0.037211451051  8.070794398106  -0.021425340049  -0.008672472628  0.100048865185  0.004634443600  0.004980360936  -0.000104242174
  17  Al  3.994502607551  1.985630269501  2.013089666609  0.150781313380  0.060086655629  -0.012148230526  -0.005404485259  -0.004279390853  -0.000677495948
  18  Al  6.081374531119  8.040570293942  1.980985229514  -0.139498096298  -0.011675361141  0.059554662561  0.003575301023  -0.004207613240  -0.004918959619
  19  Al  6.065515606574  2.054048125951  8.027255206652  -0.113446753074  -0.121070695601  0.009852432418  0.001475096468  0.004729362539  -0.006024729971
  20  Al  4.046568752896  0.039282682936  4.039795760839  -0.053558203388  -0.132840149680  -0.028125720228  0.001390590671  0.005145132981  0.000467267836
  21  Al  4.043874167457  2.006821497918  6.061858358419  0.020009520201  0.049993212075  0.077660676550  0.001095946308  -0.001451035102  0.001098633851
  22  Al  6.054116029553  0.002919675696  6.058416169748  0.015179661029  0.131672243729  0.045214374295  0.000064848211  0.000510019432  0.000608469372
  23  Al  6.082369402969  2.023673456756  4.025802104398  -0.091972855063  -0.008901695373  0.141953038803  0.003752731343  0.000756659733  -0.001253424895
  24  Al  4.042864172539  4.032073476421  0.040189374999  0.053265041205  -0.042634881916  -0.123436387922  0.000988371706  -0.000554180392  0.005277842032
  25  Al  4.022643324722  6.089764515496  2.052049347700  0.032126278750  -0.073419821381  -0.073361399834  -0.001744485113  0.004738286741  0.004490687072
  26  Al  6.034986317376  4.062847007444  1.993236676663  -0.004905016256  0.028721079340  0.050005218744  -0.002522960397  0.003635214715  -0.003285823925
  27  Al  6.039377888177  6.070046203492  0.032688791479  0.019572096671  -0.066011035112  -0.065677040079  -0.001908778433  0.002105115001  0.004326418696
  28  Al  4.043488181121  4.051019782925  4.063282246002  -0.020371909317  -0.008814976577  -0.129062470498  0.001006097612  0.002012058201  0.003520098928
  29  Al  4.004450578181  6.064149385247  6.101635276666  0.174940238081  -0.029332186657  -0.117460438112  -0.004046527286  0.001346856590  0.006249361948
  30  Al  6.062374172040  4.003144910520  6.060894355959  -0.008847782384  0.037808569267  0.020867190865  0.001149429723  -0.004364547672  0.000925055511
  31  Al  6.083932118224  6.040438533459  4.033169539151  -0.074070912833  0.041751719052  -0.087749591695  0.003977951882  -0.001768309593  -0.000474178578


MDSTEP:  16
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.067879283748  0.000000000000  0.000000000000
  0.000009791861  8.068079475992  0.000000000000
  -0.000030908055  0.000005253777  8.068522509808
VIRIAL (kbar)
  -74.214610483358  -0.059556916648  0.007066445623
  -0.059556916648  -74.263868845846  -0.280389999770
  0.007066445623  -0.280389999770  -72.992673365012
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.032872133461  8.057863450690  8.052247504091  0.105853441355  0.009437663803  -0.076696747671  -0.004298810254  -0.001276963107  -0.002117309374
  1  Al  8.051517507041  1.993267069979  1.985338242024  0.097829935818  0.060314208892  0.005713052728  -0.001961072534  -0.002929977966  -0.003990941942
  2  Al  1.997007683186  8.035376163762  1.999574675542  0.045492070613  0.009996552542  0.079940119606  -0.002465551923  -0.004108971951  -0.002129443151
  3  Al  1.995576824078  2.006996189785  8.062536105209  0.023083781440  -0.015224349011  -0.130411400961  -0.002662189510  -0.001274777341  -0.000878260247
  4  Al  0.005672211287  8.042928541403  4.085028154273  0.078689925741  0.016127599930  -0.151974440707  0.000789769815  -0.003147882823  0.006238912195
  5  Al  0.004536360797  2.016508625748  6.070670529490  -0.012304260813  -0.024143033669  -0.055709922678  0.000559706705  -0.000085995754  0.002372025809
  6  Al  2.007829180808  8.062930682522  6.044012025514  -0.044542147959  0.131466268982  0.032165045425  -0.001193024878  -0.000521661171  -0.000900241250
  7  Al  2.014519667566  2.023978798989  4.053970906671  -0.019881394679  -0.054069983316  0.030478429863  -0.000325445018  0.000821812258  0.002506492271
  8  Al  8.054086065880  4.064701702876  8.024801123650  0.000389760855  -0.089925633621  0.087752012270  -0.001730173563  0.003767809119  -0.005412403637
  9  Al  0.010072718261  6.046925469477  2.013932067612  0.005612310646  -0.005238998741  0.063110800506  0.001274793900  -0.000523141874  -0.000340257442
  10  Al  2.036453393110  3.997893667794  2.012037579622  -0.047671132960  0.236078823923  0.095854961327  0.002407104883  -0.004314953305  -0.000550298692
  11  Al  2.024650489593  6.061726426307  0.036310972733  -0.075339423891  0.010700584004  0.076545774547  0.000890280809  0.001354823836  0.004642854884
  12  Al  8.049877993899  4.045748691095  4.006381644793  0.127657034588  0.010470785899  0.115761617431  -0.002140565105  0.001487178813  -0.003392455680
  13  Al  0.002835662511  6.039480815258  6.021691679574  -0.002948522470  0.012979199814  0.065351867340  0.000359894235  -0.001442034897  -0.003671449083
  14  Al  2.011398917315  4.021459118981  6.064369158245  -0.068196223100  -0.091570377288  -0.072505777517  -0.000766840215  -0.001669904523  0.001563259335
  15  Al  2.048181859450  6.055852180427  4.001509719972  -0.144442587301  -0.053102780503  -0.023136798921  0.003786631407  0.000552541799  -0.004145862821
  16  Al  4.070944063711  0.039684050663  8.067021612911  -0.022446225424  -0.010146577376  0.106078692214  0.004632794865  0.004981111123  -0.000085860204
  17  Al  3.989919875893  1.982561441434  2.011821216163  0.162520084556  0.065038883139  -0.012917084368  -0.005379123633  -0.004270292436  -0.000680063024
  18  Al  6.080283974050  8.034692554519  1.977614049721  -0.150494279841  -0.009852077856  0.065497175542  0.003551124116  -0.004211592963  -0.004910142254
  19  Al  6.063380100227  2.055443696508  8.020538214792  -0.121759196619  -0.130462534982  0.013036021167  0.001454778886  0.004709181483  -0.006025579752
  20  Al  4.045348706032  0.041831025117  4.038163542474  -0.056366450779  -0.141962605409  -0.029649935347  0.001381441533  0.005123073223  0.000462326138
  21  Al  4.042510723852  2.005156588570  6.059613255629  0.021944795150  0.054639374750  0.082672629446  0.001100238861  -0.001442387770  0.001113499166
  22  Al  6.051287126001  0.003179387105  6.055926121182  0.014534831629  0.140277982509  0.048118250668  0.000067537533  0.000534586583  0.000617107779
  23  Al  6.081367499864  2.023101802406  4.023323591173  -0.099925914508  -0.009205409879  0.151028325202  0.003737414073  0.000755410413  -0.001227828878
  24  Al  4.041451852427  4.029902221081  0.042804254792  0.057255158205  -0.046288239611  -0.134025111167  0.000998746797  -0.000562403557  0.005257357030
  25  Al  4.019872550098  6.089272526764  2.053344295314  0.036942474706  -0.078599003993  -0.079835311431  -0.001739164463  0.004727007073  0.004479147071
  26  Al  6.030873984655  4.062759276068  1.990675990877  -0.005113062806  0.028357215207  0.054872304822  -0.002525102586  0.003642095105  -0.003278025408
  27  Al  6.035572811134  6.068247139732  0.034833998314  0.019218105490  -0.071413813043  -0.073087595024  -0.001906244442  0.002093854018  0.004316090248
  28  Al  4.042079352748  4.050124401819  4.063161106354  -0.020548404944  -0.009885270992  -0.136407749302  0.001002935610  0.002011368374  0.003498052717
  29  Al  4.000541944079  6.061975780723  6.101938482936  0.187358190492  -0.031898612794  -0.124709403877  -0.004016112782  0.001342038240  0.006230711413
  30  Al  6.060083126690  3.999085809021  6.058560370064  -0.011276639403  0.042187331395  0.019983920890  0.001148199222  -0.004359526652  0.000929153184
  31  Al  6.083043424592  6.036721572423  4.031066986993  -0.081126033786  0.044916827298  -0.092893722022  0.003966029855  -0.001761423368  -0.000490559812


MDSTEP:  17
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.063844545196  0.000000000000  0.000000000000
  0.000010909669  8.064070283211  0.000000000000
  -0.000034660491  0.000005397309  8.064582276214
VIRIAL (kbar)
  -73.032409772157  -0.066810258173  0.008192546952
  -0.066810258173  -73.088982515353  -0.316473211062
  0.008192546952  -0.316473211062  -71.654025845511
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.026707565985  8.053221414000  8.047253125310  0.115881413893  0.009175834412  -0.080244963919  -0.004281224002  -0.001275959834  -0.002132421892
  1  Al  8.046514126472  1.990814302410  1.982373473188  0.106035900586  0.064116830226  0.008005414022  -0.001943866997  -0.002920368218  -0.003991748024
  2  Al  1.994778410536  8.029329197860  1.997537030453  0.045140474056  0.012498250038  0.085967945433  -0.002458731786  -0.004109088412  -0.002115691958
  3  Al  1.993245275432  2.005360943047  8.058153832507  0.021211880634  -0.017067822744  -0.136357162706  -0.002659615959  -0.001278325161  -0.000902562589
  4  Al  0.006066993272  8.037358683667  4.086145942200  0.085277381834  0.017157529208  -0.164596162488  0.000804853545  -0.003146537383  0.006213781636
  5  Al  0.004810844666  2.015462614276  6.068889475103  -0.010463376719  -0.026851075605  -0.061191155061  0.000557965362  -0.000090600534  0.002362780483
  6  Al  2.006224857739  8.058669199545  6.040611766417  -0.049372671793  0.138294772116  0.034386052178  -0.001202045412  -0.000497808586  -0.000894748659
  7  Al  2.013346984437  2.023381610177  4.053245785772  -0.024570774772  -0.057901608216  0.030506540835  -0.000329587200  0.000812224899  0.002513222373
  8  Al  8.049189963658  4.064561920626  8.018179933181  0.003045943644  -0.094425181427  0.095820195428  -0.001730777198  0.003753276024  -0.005398745080
  9  Al  0.010705236184  6.043658857969  2.012781261094  0.007216918934  -0.005274177098  0.067453049121  0.001276605418  -0.000524352913  -0.000328755467
  10  Al  2.036636016446  3.993760120806  2.010784139862  -0.055183239983  0.251576713328  0.103502770951  0.002399164210  -0.004273580792  -0.000532752013
  11  Al  2.024080569245  6.059392128793  0.038618112392  -0.082801053226  0.011007112695  0.080487793717  0.000876608064  0.001357466273  0.004659262021
  12  Al  8.044786360248  4.044482413877  4.002734070900  0.138753617164  0.010256243425  0.121471621339  -0.002117862628  0.001489802861  -0.003372969768
  13  Al  0.003012089493  6.035759338724  6.016918185483  -0.002219007474  0.014547000181  0.069455030959  0.000359616300  -0.001440319982  -0.003661264452
  14  Al  2.010004275208  4.018621830996  6.062186043139  -0.074509327285  -0.095560178045  -0.078723017186  -0.000779997843  -0.001687503250  0.001550532402
  15  Al  2.049043419107  6.053116877519  3.997481610638  -0.157054979816  -0.056137186866  -0.023156152284  0.003761638608  0.000543059867  -0.004152114157
  16  Al  4.071219844258  0.042154604643  8.063043922254  -0.026119830494  -0.013598633784  0.113746688516  0.004630862537  0.004981567692  -0.000066246700
  17  Al  3.985241531105  1.979444041156  2.010498138348  0.171413131047  0.069055593171  -0.012436584868  -0.005352063395  -0.004260513072  -0.000682676597
  18  Al  6.079012279127  8.028593729932  1.974196119772  -0.157386279510  -0.009206424346  0.073008982052  0.003525440319  -0.004215478113  -0.004900257766
  19  Al  6.061066304172  2.056771234836  8.013609175935  -0.126090242699  -0.141275429821  0.018309145657  0.001433363009  0.004687321649  -0.006025845976
  20  Al  4.044011959410  0.044365530352  4.036421360432  -0.061899241498  -0.152923768007  -0.032721281595  0.001371582686  0.005099357165  0.000456984265
  21  Al  4.041037623620  2.003441535686  6.057214515384  0.021088709358  0.058191211754  0.086371242202  0.001104662775  -0.001433045359  0.001129182586
  22  Al  6.048292474312  0.003451481731  6.053279439106  0.017838660374  0.146895297192  0.049772488512  0.000070468006  0.000560543144  0.000626175699
  23  Al  6.080188876932  2.022473852576  4.020751644271  -0.103509531972  -0.010672745081  0.158156657865  0.003721167989  0.000754024231  -0.001200806324
  24  Al  4.039933205311  4.027616408167  0.045406067560  0.058437194410  -0.048200609797  -0.142846939374  0.001009619518  -0.000571144763  0.005235276436
  25  Al  4.016994164115  6.088606695817  2.054577580875  0.039006336099  -0.082971549235  -0.085485110122  -0.001733277237  0.004715006927  0.004466645266
  26  Al  6.026594792319  4.062562777949  1.988067274160  -0.001182137953  0.029317883222  0.061291198957  -0.002526987982  0.003649139246  -0.003269307514
  27  Al  6.031602982542  6.066275451232  0.036971788329  0.022823303496  -0.075639071736  -0.079232102602  -0.001903474674  0.002081788277  0.004304667940
  28  Al  4.040557133988  4.049117138906  4.062919824833  -0.023718941912  -0.009276132183  -0.145604387864  0.000999502524  0.002010696356  0.003474616371
  29  Al  3.996539567699  6.059633172575  6.102068438053  0.197050575705  -0.033203898501  -0.133181193235  -0.003983824294  0.001336911127  0.006210823964
  30  Al  6.057623814625  3.994920791271  6.056067168578  -0.009824540959  0.048538168221  0.017606329451  0.001146914911  -0.004353671817  0.000932987853
  31  Al  6.081979668131  6.032843162270  4.028848996381  -0.084316263169  0.049557053304  -0.099542933889  0.003953303025  -0.001753887548  -0.000508017764


MDSTEP:  18
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.059591640709  0.000000000000  0.000000000000
  0.000012060926  8.059844392964  0.000000000000
  -0.000038581468  0.000005418656  8.060432446078
VIRIAL (kbar)
  -71.775567187199  -0.073918613755  0.010135610316
  -0.073918613755  -71.841824277593  -0.353906309974
  0.010135610316  -0.353906309974  -70.234791940391
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.020336014680  8.048363656114  8.042042403448  0.123088774010  0.010534945380  -0.085311696175  -0.004262212250  -0.001274895104  -0.002148372690
  1  Al  8.041302473248  1.988313708115  1.979357855333  0.111099277678  0.069418900698  0.008260532714  -0.001925522594  -0.002910024254  -0.003992439027
  2  Al  1.992499170363  8.023067510639  1.995455132339  0.048918474283  0.016942142547  0.090542328541  -0.002451673425  -0.004108703270  -0.002101045005
  3  Al  1.990861506432  2.003670146682  8.053549930396  0.023712158405  -0.017531248951  -0.143887683309  -0.002657062579  -0.001282118334  -0.000928108138
  4  Al  0.006469194569  8.031574284026  4.087142884883  0.089236596851  0.019371099412  -0.175731518762  0.000820912373  -0.003144992023  0.006186688302
  5  Al  0.005084150833  2.014359950027  6.066945246960  -0.011663573156  -0.028211531294  -0.064901850824  0.000556296803  -0.000095574031  0.002352774819
  6  Al  2.004561736299  8.054203430819  6.037057577647  -0.049564624214  0.146245385644  0.038374146627  -0.001211555072  -0.000472636215  -0.000888723126
  7  Al  2.012117554380  2.022724820200  4.052418076494  -0.024629984830  -0.060562370054  0.032129739764  -0.000334165729  0.000802075633  0.002520174369
  8  Al  8.044076190868  4.064304393579  8.011358859813  0.002466649927  -0.100558120201  0.102208835995  -0.001731246348  0.003737892912  -0.005383938483
  9  Al  0.011338106526  6.040229333790  2.011584169527  0.005437201508  -0.006486788519  0.070295821151  0.001278439550  -0.000525691424  -0.000316614212
  10  Al  2.036758607164  3.989541667476  2.009487687544  -0.058531503264  0.265245369851  0.109521922623  0.002390318248  -0.004229702154  -0.000513988992
  11  Al  2.023448520854  6.056896001521  0.040931494403  -0.085699273807  0.009824616976  0.081638595803  0.000862027431  0.001360071549  0.004676264245
  12  Al  8.039489388791  4.043108325994  3.998993289745  0.146677546746  0.008789041372  0.129102979615  -0.002093509164  0.001492320895  -0.003352375522
  13  Al  0.003188138356  6.031876863328  6.011994482630  -0.004422572359  0.014325653025  0.075208329587  0.000359216746  -0.001438525840  -0.003650296098
  14  Al  2.008548473788  4.015667901694  6.059838352363  -0.076131681765  -0.100365055028  -0.083127802005  -0.000793894804  -0.001705946660  0.001536892574
  15  Al  2.049835482119  6.050213842324  3.993347492569  -0.165559754583  -0.060257191915  -0.020621338390  0.003734853680  0.000532948550  -0.004158260639
  16  Al  4.071383023023  0.044622742152  8.058866843123  -0.027108760692  -0.015806087756  0.119446467806  0.004628647417  0.004981662995  -0.000045429402
  17  Al  3.980470599386  1.976279546181  2.009121688955  0.183802217382  0.074506698240  -0.013520301435  -0.005323241824  -0.004250005570  -0.000685364685
  18  Al  6.077562077166  8.022278262681  1.970733354713  -0.168829122697  -0.006785014255  0.079148033443  0.003498206010  -0.004219213804  -0.004889285261
  19  Al  6.058577106784  2.058030803523  8.006473436783  -0.134722691676  -0.150848773918  0.022620116174  0.001410817860  0.004663762741  -0.006025424827
  20  Al  4.042560197930  0.046885166420  4.034571352491  -0.064469094034  -0.162486381154  -0.034061458780  0.001361033975  0.005073941213  0.000451257959
  21  Al  4.039456973026  2.001677741367  6.054666083321  0.023318128767  0.063422445669  0.091596548617  0.001109244245  -0.001422954065  0.001145703989
  22  Al  6.045135655496  0.003736530316  6.050479890147  0.016506975291  0.154871988350  0.052988653014  0.000073578479  0.000587834895  0.000635701509
  23  Al  6.078836465557  2.021790548114  4.018089324984  -0.112105957654  -0.010663072570  0.166905168982  0.003703932668  0.000752528751  -0.001172383649
  24  Al  4.038310511698  4.025218049192  0.047993986677  0.062590797056  -0.051669799243  -0.154283962165  0.001021004972  -0.000580388030  0.005211519957
  25  Al  4.014010549964  6.087769854397  2.055749874641  0.044809978054  -0.088445776265  -0.092775950185  -0.001726733811  0.004702257060  0.004453105384
  26  Al  6.022152391313  4.062259741298  1.985412331956  -0.001236283313  0.028460099274  0.066189794097  -0.002528601786  0.003656302000  -0.003259664988
  27  Al  6.027472015318  6.064134009839  0.039101580890  0.021963625409  -0.081666358274  -0.087688738362  -0.001900513324  0.002068860053  0.004292055076
  28  Al  4.038923421325  4.048000199204  4.062559969845  -0.023548173961  -0.010154410213  -0.152488961586  0.000995828664  0.002010058547  0.003449827475
  29  Al  3.992446537561  6.057124683772  6.102027963013  0.209741838826  -0.036187769814  -0.139962892120  -0.003949632955  0.001331437022  0.006189736820
  30  Al  6.054999639802  3.990652622494  6.053418155472  -0.012993119112  0.054136052869  0.016492827230  0.001145510070  -0.004346871659  0.000936538592
  31  Al  6.080743810761  6.028806988086  4.026517392440  -0.092154069079  0.052591310117  -0.104306687687  0.003939698672  -0.001745712380  -0.000526519732


MDSTEP:  19
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.055125205394  0.000000000000  0.000000000000
  0.000013240311  8.055406416593  0.000000000000
  -0.000042659740  0.000005295895  8.056078127014
VIRIAL (kbar)
  -70.446927579276  -0.081946405499  0.011478793357
  -0.081946405499  -70.522267848672  -0.393922482828
  0.011478793357  -0.393922482828  -68.733421316174
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.013762796192  8.043294897291  8.036620007065  0.132560833738  0.011335239347  -0.089477821505  -0.004241821048  -0.001273673350  -0.002165217345
  1  Al  8.035887650575  1.985766929662  1.976292713521  0.118278770187  0.073213237759  0.010715673400  -0.001906128621  -0.002898944670  -0.003992998467
  2  Al  1.990171474736  8.016596135433  1.993330680122  0.050385030028  0.021379308744  0.096844842425  -0.002444212694  -0.004107641477  -0.002085475424
  3  Al  1.988426928900  2.001924899623  8.048728839624  0.023692579242  -0.019632215801  -0.150199300228  -0.002654362490  -0.001286179729  -0.000954931267
  4  Al  0.006879163274  8.025580163828  4.088020501827  0.094737237830  0.021620709267  -0.188221988737  0.000837850205  -0.003143136093  0.006157638410
  5  Al  0.005356175071  2.013201648530  6.064841329266  -0.010704795778  -0.031323845567  -0.070771538228  0.000554621847  -0.000100952814  0.002341971988
  6  Al  2.002840970317  8.049538685129  6.033353652004  -0.052034722803  0.153701013188  0.040785219562  -0.001221343094  -0.000446085617  -0.000882146609
  7  Al  2.010832537741  2.022009327330  4.051490461636  -0.027353796610  -0.064803516509  0.032641183617  -0.000339005205  0.000791326650  0.002527390790
  8  Al  8.038749352110  4.063930829983  8.004343616214  0.004343644997  -0.106119417750  0.109924259816  -0.001731649890  0.003721561863  -0.005368011379
  9  Al  0.011971159504  6.036640245429  2.010342325743  0.005731691207  -0.006199038594  0.074663451243  0.001280178725  -0.000527128463  -0.000303830232
  10  Al  2.036822007290  3.985241860371  2.008150040628  -0.064606058564  0.279511778632  0.117311012646  0.002380693532  -0.004183421864  -0.000493995045
  11  Al  2.022755234007  6.054241387258  0.043251191640  -0.091010363486  0.010068325258  0.083725802479  0.000846729506  0.001362633684  0.004693694734
  12  Al  8.033992441089  4.041628579965  3.995162558267  0.156924495968  0.007187381464  0.135622663810  -0.002067577477  0.001494608301  -0.003330597188
  13  Al  0.003363613825  6.027836821865  6.006924939042  -0.004805370498  0.016072109665  0.079577902741  0.000358595875  -0.001436635806  -0.003638517421
  14  Al  2.007032538706  4.012599203543  6.057329513319  -0.080099225149  -0.104740227728  -0.089433222298  -0.000808322244  -0.001725270018  0.001522329976
  15  Al  2.050558421207  6.047146150276  3.989110172725  -0.176430662930  -0.062912271245  -0.018841737518  0.003706428277  0.000522240560  -0.004164139703
  16  Al  4.071435806108  0.047088207338  8.054495992607  -0.030041742222  -0.019054227186  0.126150278658  0.004626213549  0.004981413021  -0.000023492698
  17  Al  3.975610546389  1.973069622233  2.007693052408  0.194125054761  0.078355006497  -0.012719045819  -0.005292526218  -0.004238782238  -0.000688098470
  18  Al  6.075935793456  8.015751006139  1.967227611151  -0.177873050141  -0.004367045521  0.087589395483  0.003469224868  -0.004222640005  -0.004877138084
  19  Al  6.055915212301  2.059222643690  7.999136528633  -0.140817825710  -0.162593307142  0.028370083383  0.001386983205  0.004638417146  -0.006024270399
  20  Al  4.040995505047  0.049389030580  4.032615949880  -0.068970295194  -0.172794631249  -0.036293498799  0.001349886109  0.005046879265  0.000445221533
  21  Al  4.037771287800  1.999866819999  6.051972249718  0.023377418212  0.066917929175  0.094843740230  0.001114065014  -0.001412117329  0.001163023838
  22  Al  6.041820034669  0.004035224817  6.047531588328  0.017581221756  0.162034777540  0.054294674279  0.000076669819  0.000616512692  0.000645654548
  23  Al  6.077312950645  2.021053026258  4.015339976141  -0.117983270594  -0.012589034582  0.174476854723  0.003685499921  0.000750882493  -0.001142518302
  24  Al  4.036586450181  4.022709144078  0.050566956999  0.064503630429  -0.054377518560  -0.164714472661  0.001032969008  -0.000590204981  0.005185939023
  25  Al  4.010924555609  6.086764931831  2.056861773678  0.048649580580  -0.092403461459  -0.098731372966  -0.001719373931  0.004688791545  0.004438496658
  26  Al  6.017550271947  4.061852362650  1.982712899655  0.001291319364  0.027837229447  0.073285884331  -0.002530068360  0.003663440683  -0.003249034680
  27  Al  6.023183319014  6.061825720224  0.041222592914  0.023341439520  -0.085834711608  -0.095625011915  -0.001897558518  0.002055072418  0.004278088037
  28  Al  4.037180543260  4.046775784177  4.062083458292  -0.025565220936  -0.010538128924  -0.160596895274  0.000992016410  0.002009365357  0.003423779627
  29  Al  3.988266339091  6.054453479939  6.101820243367  0.220464295462  -0.037334536323  -0.148462045976  -0.003913441993  0.001325629130  0.006167442760
  30  Al  6.052213792657  3.986284124218  6.050617055836  -0.013865948457  0.060606352293  0.013216603863  0.001143776150  -0.004339112777  0.000939724641
  31  Al  6.079338600768  6.024616781385  4.024074306770  -0.097825894211  0.057776737471  -0.109951574763  0.003924991960  -0.001736847578  -0.000545977251


MDSTEP:  20
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.050450126346  0.000000000000  0.000000000000
  0.000014441958  8.050761219305  0.000000000000
  -0.000046884311  0.000005005767  8.051524704797
VIRIAL (kbar)
  -69.043227942937  -0.089669726639  0.013906280238
  -0.089669726639  -69.130232920515  -0.435572178052
  0.013906280238  -0.435572178052  -67.152117593674
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.006993676641  8.038020059167  8.030990961411  0.138970215366  0.012224404622  -0.094529097357  -0.004220117936  -0.001272335918  -0.002182954822
  1  Al  8.030275200613  1.983175535134  1.973179634996  0.122234429211  0.079977709703  0.010238227587  -0.001885781581  -0.002886996435  -0.003993489808
  2  Al  1.987796689114  8.009920354707  1.991165594449  0.054285149100  0.026305194032  0.100588745073  -0.002436336951  -0.004105857725  -0.002069055056
  3  Al  1.985942789505  2.000126215396  8.043695387441  0.026575354760  -0.018728763126  -0.157517701821  -0.002651480093  -0.001290386957  -0.000983014728
  4  Al  0.007297385167  8.019381397925  4.088780337074  0.097718643027  0.023873355261  -0.199907743589  0.000855580675  -0.003140964360  0.006126576945
  5  Al  0.005627006376  2.011988631144  6.062581224342  -0.012730657589  -0.031448458334  -0.073802627798  0.000552866306  -0.000106626831  0.002330430545
  6  Al  2.001063571222  8.044680479118  6.029504248949  -0.051469904965  0.160900113725  0.046082826269  -0.001231341991  -0.000418221508  -0.000874900886
  7  Al  2.009492919133  2.021235952225  4.050465666157  -0.027274884247  -0.066245607074  0.034137224823  -0.000344093562  0.000780085668  0.002534859542
  8  Al  8.033214521447  4.063443118426  7.997140306190  0.003039394477  -0.111810845676  0.116775950354  -0.001732051847  0.003704319188  -0.005350918155
  9  Al  0.012604411452  6.032895265099  2.009057467967  0.002939732465  -0.008830518119  0.076207234692  0.001281731912  -0.000528790825  -0.000290518472
  10  Al  2.036826880104  3.980864427637  2.006773244094  -0.068099946796  0.293570788123  0.122315607241  0.002370274981  -0.004134699178  -0.000472858857
  11  Al  2.022001446157  6.051431947903  0.045577365218  -0.093460969091  0.007239554750  0.083837654215  0.000830752646  0.001365005061  0.004711459426
  12  Al  8.028301335731  4.040045443890  3.991245169450  0.164128655162  0.005527512070  0.143298390062  -0.002040128606  0.001496647150  -0.003307627260
  13  Al  0.003538483139  6.023643011086  6.001714003824  -0.008415639743  0.014573659595  0.086904594329  0.000357627580  -0.001434763351  -0.003625784787
  14  Al  2.005457347934  4.009417772012  6.054662993836  -0.080951403986  -0.108819125714  -0.092899531473  -0.000823212083  -0.001745409242  0.001506926446
  15  Al  2.051212463815  6.043917198114  3.984772525495  -0.184827138982  -0.068305344579  -0.015331802563  0.003676367899  0.000510820808  -0.004169662229
  16  Al  4.071380355867  0.049550654579  8.049937355411  -0.030259936707  -0.022300458081  0.131558694286  0.004623627591  0.004980722502  -0.000000460790
  17  Al  3.970664773555  1.969815850819  2.006213650522  0.207908492879  0.085448372597  -0.014722685286  -0.005259786726  -0.004226693331  -0.000690960047
  18  Al  6.074136259703  8.009017063044  1.963681015971  -0.189615302810  -0.001353989718  0.093211508556  0.003438465931  -0.004225702060  -0.004863858684
  19  Al  6.053083741987  2.060346869075  7.991604383479  -0.149493855729  -0.171684487764  0.034016393456  0.001361852468  0.004611323401  -0.006022259777
  20  Al  4.039319918818  0.051876157768  4.030557643703  -0.070711110041  -0.183099479974  -0.037261644208  0.001338211668  0.005018100266  0.000438907524
  21  Al  4.035983016298  1.998010291820  6.049137337587  0.026144525048  0.073723469397  0.100864061465  0.001119173087  -0.001400392685  0.001181214049
  22  Al  6.038349380866  0.004348183632  6.044438686049  0.015800184957  0.168830635274  0.058539820372  0.000079701975  0.000646473113  0.000656127298
  23  Al  6.075621452560  2.020262314711  4.012506972905  -0.126963681301  -0.011199531598  0.182796520166  0.003665832060  0.000749208330  -0.001111245600
  24  Al  4.034763625548  4.020091887337  0.053124018935  0.069199639016  -0.057307701138  -0.176871329340  0.001045560677  -0.000600547976  0.005158464220
  25  Al  4.007738977282  6.085595187593  2.057914068657  0.055917294267  -0.099310481300  -0.107654130884  -0.001711065023  0.004674479096  0.004422669516
  26  Al  6.012792341674  4.061342989423  1.979970975224  0.001349670801  0.026496389061  0.077842729405  -0.002531376510  0.003670510852  -0.003237444378
  27  Al  6.018740689999  6.059353845722  0.043334092342  0.022144118245  -0.093194796124  -0.105537793014  -0.001894639466  0.002040304075  0.004262632924
  28  Al  4.035330759266  4.045446267636  4.061492240595  -0.024275641117  -0.011152364805  -0.167204116810  0.000988165075  0.002008639501  0.003396493766
  29  Al  3.984002403015  6.051623081639  6.101448526281  0.234321724419  -0.041619496025  -0.154247961232  -0.003875142198  0.001319370088  0.006144025826
  30  Al  6.049269858464  3.981818317802  6.047667610936  -0.017605387947  0.068023735844  0.012231882601  0.001141661291  -0.004330229563  0.000942557016
  31  Al  6.077767172345  6.020276654009  4.021521930965  -0.106521762150  0.059696555093  -0.113959899577  0.003909102951  -0.001727391155  -0.000566324103


MDSTEP:  21
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.045571550078  0.000000000000  0.000000000000
  0.000015660199  8.045913917645  0.000000000000
  -0.000051242408  0.000004524267  8.046777833401
VIRIAL (kbar)
  -67.567206437881  -0.097832147606  0.016141350924
  -0.097832147606  -67.665573300511  -0.479013530614
  0.016141350924  -0.479013530614  -65.488793669839
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.000034405303  8.032544320650  8.025160478709  0.149613680743  0.013285813057  -0.098631032919  -0.004196994193  -0.001270858770  -0.002201579718
  1  Al  8.024470635089  1.980541417829  1.970020007663  0.130116742635  0.083984759170  0.012890233498  -0.001864416024  -0.002874158076  -0.003993893331
  2  Al  1.985376459500  8.003045741768  1.988961631885  0.055176356275  0.032230834839  0.106707148178  -0.002428095835  -0.004103216521  -0.002051797888
  3  Al  1.983410658408  1.998275437003  8.038454578598  0.025984090537  -0.021075087560  -0.163223924544  -0.002648465023  -0.001294761717  -0.001012306129
  4  Al  0.007724122525  8.012983309339  4.089424147563  0.103524617252  0.026856373328  -0.213024588460  0.000874132137  -0.003138409401  0.006093441799
  5  Al  0.005896468875  2.010722148568  6.060168892029  -0.011070260982  -0.034750760467  -0.079931558961  0.000551092510  -0.000112613485  0.002318125019
  6  Al  1.999230887066  8.039634556511  6.025514086141  -0.053953199171  0.168155687867  0.049142610778  -0.001241553070  -0.000389059242  -0.000866926698
  7  Al  2.008099999258  2.020405829145  4.049346639727  -0.030633632730  -0.070320907960  0.034074278299  -0.000349487866  0.000768366276  0.002542528479
  8  Al  8.027476748123  4.062843264590  7.989755218660  0.005667496691  -0.117642007431  0.125117839247  -0.001732384236  0.003686137465  -0.005332598360
  9  Al  0.013237604605  6.028997991858  2.007731148545  0.003518765893  -0.008599716080  0.080171814773  0.001283123942  -0.000530683592  -0.000276713789
  10  Al  2.036774187444  3.976413199725  2.005359160285  -0.075064670301  0.307296165280  0.130200841006  0.002358980817  -0.004083576385  -0.000450569762
  11  Al  2.021188216520  6.048471260480  0.047910004410  -0.098922808918  0.007228881513  0.084865009363  0.000814081662  0.001367162404  0.004729462222
  12  Al  8.022421877321  4.038361307376  3.987244649943  0.175438293363  0.003000512556  0.149674252215  -0.002011064086  0.001498353926  -0.003283474913
  13  Al  0.003712426833  6.019299124165  5.996366587611  -0.008322325685  0.016401638347  0.091836509401  0.000356354019  -0.001432900488  -0.003612044747
  14  Al  2.003824123628  4.006125792727  6.051842718489  -0.084974820745  -0.112764180530  -0.099362860912  -0.000838570076  -0.001766326672  0.001490665740
  15  Al  2.051798128481  6.040530326558  3.980337709731  -0.196288247563  -0.071218819875  -0.012387711420  0.003644615404  0.000498664814  -0.004174721977
  16  Al  4.071219213432  0.052009742519  8.045197068350  -0.034208683101  -0.026225807020  0.138042412894  0.004620796365  0.004979528303  0.000023648532
  17  Al  3.965637116305  1.966520161940  2.004684720715  0.217832241010  0.089428660293  -0.013776643712  -0.005225053556  -0.004213723927  -0.000693936335
  18  Al  6.072166265347  8.002081836421  1.960095505772  -0.198308887546  0.002226685103  0.102502484013  0.003405956137  -0.004228294087  -0.004849367135
  19  Al  6.050085784418  2.061403897512  7.983883185867  -0.154905205690  -0.184019313893  0.041058892209  0.001335484007  0.004582423942  -0.006019273591
  20  Al  4.037535856147  0.054345588087  4.028399172699  -0.075538831477  -0.193483029719  -0.039455538961  0.001325979874  0.004987592545  0.000432318608
  21  Al  4.034094981083  1.996110033761  6.046166120034  0.025528607478  0.077416768737  0.103878362410  0.001124508022  -0.001387760585  0.001200254672
  22  Al  6.034727403791  0.004675992038  6.041205800184  0.017057649481  0.175628006091  0.059705781311  0.000082691431  0.000677685654  0.000667107762
  23  Al  6.073765013606  2.019419800789  4.009593889843  -0.132489038765  -0.013424701129  0.189881489951  0.003644957026  0.000747479043  -0.001078605961
  24  Al  4.032845022088  4.017368578817  0.055664064345  0.070299350549  -0.059917386863  -0.187845632370  0.001058707850  -0.000611408797  0.005129041600
  25  Al  4.004457046221  6.084263810545  2.058907356887  0.059816564605  -0.103334766404  -0.114360975651  -0.001701799921  0.004659310376  0.004405552858
  26  Al  6.007882479829  4.060734033791  1.977188393112  0.004842353270  0.024924225716  0.085233352316  -0.002532438717  0.003677426245  -0.003224864845
  27  Al  6.014147887237  6.056721555007  0.045435175098  0.023679604944  -0.097593541479  -0.114517095584  -0.001891741063  0.002024532128  0.004245592506
  28  Al  4.033376756157  4.044014130052  4.060788539369  -0.027117018595  -0.011768284084  -0.175071430300  0.000984200234  0.002007859282  0.003367987415
  29  Al  3.979658567229  6.048636918199  6.100916509429  0.244353428720  -0.042647905898  -0.162511085411  -0.003834790137  0.001312669345  0.006119501965
  30  Al  6.046171363362  3.977258430076  6.044573968994  -0.018369018507  0.075262472417  0.008374380191  0.001139174361  -0.004320150130  0.000944983181
  31  Al  6.076032588976  6.015790612188  4.018862736685  -0.112283193671  0.065458732080  -0.119257612849  0.003892020210  -0.001717289871  -0.000587530572


MDSTEP:  22
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.040494871186  0.000000000000  0.000000000000
  0.000016889123  8.040869876984  0.000000000000
  -0.000055721044  0.000003826572  8.041843437911
VIRIAL (kbar)
  -66.016954263043  -0.106095866819  0.019383811930
  -0.106095866819  -66.128898715990  -0.524266758181
  0.019383811930  -0.524266758181  -63.745601821603
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.992891353458  8.026873122742  8.019134124931  0.157381874854  0.013955674963  -0.102734457904  -0.004172324095  -0.001269260782  -0.002221007594
  1  Al  8.018480062675  1.977866283442  1.966815562521  0.134823830848  0.090035010938  0.013876632940  -0.001841962014  -0.002860490883  -0.003994075896
  2  Al  1.982912222146  7.995978203717  1.986720826553  0.057729023745  0.038332299499  0.111671383861  -0.002419607994  -0.004099610114  -0.002033592224
  3  Al  1.980831854622  1.996373677038  8.033011832316  0.027773171112  -0.021280583962  -0.169212212029  -0.002645413568  -0.001299402933  -0.001042688262
  4  Al  0.008159890667  8.006391531590  4.089953705040  0.107140331549  0.029385098260  -0.226366171260  0.000893562405  -0.003135444555  0.006058078502
  5  Al  0.006164716935  2.009403228976  6.057608221291  -0.012248480600  -0.035705086300  -0.084409076637  0.000549375877  -0.000118987415  0.002304923658
  6  Al  1.997344054207  8.034406913537  6.021387883456  -0.053957162664  0.174687216874  0.053672550764  -0.001252027297  -0.000358655916  -0.000858291345
  7  Al  2.006654833273  2.019519919681  4.048136330939  -0.031764845930  -0.072662488322  0.034361621113  -0.000355296669  0.000756086761  0.002550288640
  8  Al  8.021541679347  4.062133389242  7.982195040708  0.005182070526  -0.123146635016  0.133202692615  -0.001732572933  0.003667029958  -0.005312937050
  9  Al  0.013870783729  6.024952466545  2.006365203541  0.001146158648  -0.010384241987  0.082621873474  0.001284391676  -0.000532731019  -0.000262333950
  10  Al  2.036664645357  3.971892096669  2.003909976077  -0.080350869365  0.321118811897  0.136526004692  0.002346648425  -0.004030068335  -0.000427007521
  11  Al  2.020316397999  6.045363341946  0.050249185384  -0.102533734914  0.005112631158  0.084481590546  0.000796611017  0.001369168845  0.004747657328
  12  Al  8.016360483151  4.036578608006  3.983164541781  0.183692511436  0.000943916923  0.156580948963  -0.001980286381  0.001499692272  -0.003258205101
  13  Al  0.003885456889  6.014809336172  5.990887586085  -0.011212968519  0.015710925521  0.098562049267  0.000354839123  -0.001430974255  -0.003597347723
  14  Al  2.002133865842  4.002725585550  6.048872549115  -0.086503018882  -0.116049715539  -0.104281829905  -0.000854457439  -0.001787952142  0.001473415735
  15  Al  2.052315725834  6.036989284862  3.975808964669  -0.205992448347  -0.075801784007  -0.008242600630  0.003611049270  0.000485843583  -0.004179259826
  16  Al  4.070954715451  0.054465073364  8.040281635210  -0.035535176845  -0.030261933176  0.143860931412  0.004617618243  0.004977757027  0.000048873875
  17  Al  3.960531183269  1.963184264834  2.003107831140  0.231100534818  0.095705411892  -0.014521889115  -0.005188367080  -0.004199943782  -0.000696914646
  18  Al  6.070029062141  7.994951024383  1.956473407345  -0.208854312141  0.006201555485  0.110197287470  0.003371797967  -0.004230327972  -0.004833473894
  19  Al  6.046924907945  2.062393923259  7.975979509535  -0.162352501190  -0.194476712365  0.048763643932  0.001307984860  0.004551591569  -0.006015123683
  20  Al  4.035645583634  0.056796359659  4.026143302144  -0.078098605556  -0.204331975947  -0.040910195434  0.001313115836  0.004955302289  0.000425410520
  21  Al  4.032109827508  1.994167704556  6.043063305866  0.027390592425  0.083605335838  0.108475230699  0.001129988767  -0.001374274247  0.001220019285
  22  Al  6.030958271057  0.005019235142  6.037837476272  0.015998419464  0.181616102409  0.062624960469  0.000085702834  0.000710080281  0.000678477892
  23  Al  6.071747175067  2.018526611243  4.006604325088  -0.140425629508  -0.012995446399  0.196937964985  0.003622964497  0.000745608261  -0.001044709179
  24  Al  4.030833427428  4.014541670953  0.058186096880  0.074217617471  -0.062659936281  -0.200075580470  0.001072341520  -0.000622771223  0.005097659039
  25  Al  4.001081814607  6.082774438627  2.059842506671  0.067067659708  -0.109388001687  -0.122645998178  -0.001691578175  0.004643358197  0.004387199586
  26  Al  6.002825056204  4.060028015107  1.974367305143  0.006718693666  0.022940733520  0.091417995916  -0.002533091057  0.003684127868  -0.003211147456
  27  Al  6.009409097919  6.053932470378  0.047525025487  0.023504890140  -0.104457620096  -0.124868838706  -0.001888770814  0.002007798529  0.004226923304
  28  Al  4.031320976534  4.042481977811  4.059974604247  -0.026599933779  -0.012237386379  -0.181983107808  0.000980052028  0.002007036689  0.003338229229
  29  Al  3.975238447211  6.045498897518  6.100227879490  0.257409814426  -0.046075318610  -0.169601678447  -0.003792452081  0.001305602406  0.006093749149
  30  Al  6.042922286818  3.972607791192  6.041340225746  -0.021424277295  0.083967049952  0.005616562930  0.001136375602  -0.004308755973  0.000946843930
  31  Al  6.074138366657  6.011163189990  4.016099215477  -0.120423229300  0.068597090943  -0.123598289525  0.003873789858  -0.001706432985  -0.000609627709


MDSTEP:  23
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.035225735084  0.000000000000  0.000000000000
  0.000018122797  8.035634706485  0.000000000000
  -0.000060305660  0.000002887072  8.036727703969
VIRIAL (kbar)
  -64.394109219730  -0.115119872480  0.021846583180
  -0.115119872480  -64.518977661160  -0.571504805590
  0.021846583180  -0.571504805590  -61.921271489160
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.985570882906  8.021012113061  8.012917724134  0.169241083659  0.015216380296  -0.106343025240  -0.004145994448  -0.001267523375  -0.002241194580
  1  Al  8.012309557106  1.975152077863  1.963567942190  0.143414202333  0.093421965886  0.017526439860  -0.001818353351  -0.002846047667  -0.003993945846
  2  Al  1.980405622182  7.988723902578  1.984445171966  0.057379599532  0.045741066697  0.118424696387  -0.002410982540  -0.004094903021  -0.002014378563
  3  Al  1.978207971329  1.994422298305  8.027372802317  0.026029034776  -0.024483398465  -0.174098280710  -0.002642427314  -0.001304387008  -0.001074089464
  4  Al  0.008605010604  7.999611897619  4.090370898858  0.113425748339  0.033254385560  -0.240739408871  0.000913915505  -0.003131988479  0.006020367951
  5  Al  0.006431652948  2.008033170757  6.054903446961  -0.009520292982  -0.039891182618  -0.091439448731  0.000547811554  -0.000125828168  0.002290743263
  6  Al  1.995404493293  8.029003724133  6.017130686534  -0.056976297277  0.181745566889  0.056682743767  -0.001262812708  -0.000327026534  -0.000848997895
  7  Al  2.005158738649  2.018579401930  4.046837852839  -0.036489141806  -0.077519200916  0.033457287299  -0.000361642512  0.000743175873  0.002558063781
  8  Al  8.015414934481  4.061315767567  7.974466690627  0.009000678958  -0.129112586983  0.142674326317  -0.001732510471  0.003646981056  -0.005291828261
  9  Al  0.014503731449  6.020762731930  2.004961398283  0.002362837133  -0.009482808749  0.086689165792  0.001285591482  -0.000534873080  -0.000247368500
  10  Al  2.036499185695  3.967305163950  2.002427803249  -0.089078812332  0.334363202153  0.144856070556  0.002333117566  -0.003974211559  -0.000402130065
  11  Al  2.019387072741  6.042112205299  0.052594863447  -0.108889327100  0.005503994250  0.084827701044  0.000778258884  0.001371059748  0.004765982167
  12  Al  8.010123546437  4.034699948479  3.979008560667  0.196221388911  -0.002582901391  0.162513436670  -0.001947682618  0.001500571811  -0.003231853575
  13  Al  0.004057320072  6.010177777696  5.985282246364  -0.010595043740  0.018417804343  0.103582017161  0.000353129400  -0.001428905249  -0.003581682397
  14  Al  2.000387860853  3.999219648968  6.045756682938  -0.091228973114  -0.119754496765  -0.111426362963  -0.000870937805  -0.001810264892  0.001455113136
  15  Al  2.052765791332  6.033297856135  3.971189762435  -0.218728631156  -0.077947383250  -0.004421796148  0.003575550640  0.000472424340  -0.004183194877
  16  Al  4.070589564997  0.056916243936  8.035197760626  -0.040662118768  -0.034958126306  0.150439542147  0.004613985157  0.004975336789  0.000075225726
  17  Al  3.955351001827  1.959810130157  2.001484463125  0.240516188172  0.099164752693  -0.012772257644  -0.005149766848  -0.004185396120  -0.000699822871
  18  Al  6.067727928797  7.987630599404  1.952816964160  -0.216293061049  0.011200262299  0.120943652523  0.003336098999  -0.004231674609  -0.004816044307
  19  Al  6.043604690328  2.063317373762  7.967900241003  -0.166261730570  -0.208379814731  0.057694083947  0.001279486501  0.004518680716  -0.006009636803
  20  Al  4.033651698405  0.059227474269  4.023792994254  -0.083736869638  -0.214919213457  -0.043282518040  0.001299545302  0.004921205892  0.000418166494
  21  Al  4.030030550178  1.992185244754  6.039833941968  0.025483025822  0.086657508708  0.110621510624  0.001135499629  -0.001359989002  0.001240431054
  22  Al  6.027046132511  0.005378425464  6.034338612656  0.018210163420  0.187797538616  0.063083417237  0.000088821664  0.000743604106  0.000690174867
  23  Al  6.069571455724  2.017584171498  4.003542002886  -0.144759306898  -0.016173081777  0.202934594477  0.003599957297  0.000743510231  -0.001009649418
  24  Al  4.028732007561  4.011613725678  0.060689014192  0.074010666174  -0.065153341196  -0.211246685656  0.001086345329  -0.000634625416  0.005064293121
  25  Al  3.997616758132  6.081130716186  2.060720315647  0.070671304584  -0.112597053535  -0.129623540262  -0.001680424184  0.004626691839  0.004367581225
  26  Al  5.997624481865  4.059227541471  1.971509816600  0.011877647117  0.020149112326  0.099889280525  -0.002533182973  0.003690505001  -0.003196192282
  27  Al  6.004528542365  6.050990178921  0.049602710207  0.026029338837  -0.108164557509  -0.134706936430  -0.001885639132  0.001990162667  0.004206544076
  28  Al  4.029166290542  4.040852554081  4.059052904797  -0.030243718599  -0.013249728911  -0.190068135898  0.000975647844  0.002006135243  0.003307195471
  29  Al  3.970746050820  6.042212896767  6.099386630749  0.266563916968  -0.046188265454  -0.178364955266  -0.003748201006  0.001298249960  0.006066717026
  30  Al  6.039526593961  3.967869978944  6.037970771717  -0.021378120939  0.092257972337  0.000366497733  0.001133336480  -0.004295949345  0.000948013915
  31  Al  6.072088002007  6.006398867420  4.013234074285  -0.125595378766  0.075665628961  -0.128673112207  0.003854460883  -0.001694701746  -0.000632596954


MDSTEP:  24
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.029770029577  0.000000000000  0.000000000000
  0.000019354883  8.030214259385  0.000000000000
  -0.000064982306  0.000001679299  8.031437077520
VIRIAL (kbar)
  -62.695607455610  -0.123415848087  0.026107937093
  -0.123415848087  -62.837262057465  -0.619635137529
  0.026107937093  -0.619635137529  -60.018730139613
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.978079957627  8.014967233824  8.006517402436  0.176996071264  0.016096647168  -0.110117588928  -0.004118001706  -0.001265626932  -0.002262111462
  1  Al  8.005965779111  1.972400566334  1.960279087638  0.147754301579  0.101032956741  0.017772598714  -0.001793619836  -0.002830686138  -0.003993566783
  2  Al  1.977858102531  7.981289356507  1.982136883995  0.061503970441  0.053387708359  0.122670560247  -0.002402077100  -0.004088953952  -0.001994218299
  3  Al  1.975540342737  1.992422454406  8.021543500236  0.029394303267  -0.023472843088  -0.179271050052  -0.002639363806  -0.001309605039  -0.001106438437
  4  Al  0.009060042079  7.992650600348  4.090677663998  0.116559830396  0.036458099198  -0.254723683853  0.000935149566  -0.003127978569  0.005980245593
  5  Al  0.006697528615  2.006613043697  6.052058773804  -0.010926955796  -0.039772311494  -0.095399088156  0.000546378834  -0.000133040350  0.002275627407
  6  Al  1.993413413879  8.023431452024  6.012747599249  -0.054640284226  0.187878779806  0.062335352310  -0.001273700165  -0.000294204036  -0.000838944529
  7  Al  2.003612771493  2.017585290722  4.045454345085  -0.035887665136  -0.078713669311  0.033036284711  -0.000368370968  0.000729734742  0.002565789431
  8  Al  8.009102757324  4.060392758990  7.966577464350  0.008428654304  -0.134928015140  0.151412224683  -0.001732203470  0.003625959274  -0.005269208394
  9  Al  0.015136552234  6.016433253177  2.003521707280  -0.000719296716  -0.012484659032  0.087921299588  0.001286659253  -0.000537218540  -0.000231925061
  10  Al  2.036278495620  3.962656512078  2.000914997128  -0.093070382310  0.347484952679  0.150412317700  0.002318501238  -0.003916062091  -0.000376003776
  11  Al  2.018401138904  6.038722272291  0.054947064666  -0.110559584274  0.001741575093  0.083022269882  0.000759196808  0.001372687294  0.004784307742
  12  Al  8.003718081883  4.032727923309  3.974780461133  0.204285928856  -0.005529514344  0.169172462479  -0.001913265712  0.001500911852  -0.003204438494
  13  Al  0.004228076463  6.005409063860  5.979555853808  -0.013987029254  0.016429713143  0.111795274445  0.000351179618  -0.001426808603  -0.003564912142
  14  Al  1.998587168225  3.995610563642  6.042499315411  -0.090526878555  -0.122318829793  -0.115426670977  -0.000887812568  -0.001833201124  0.001435837596
  15  Al  2.053148653780  6.029460224688  3.966483671314  -0.226777391720  -0.083787113014  0.000961706491  0.003538262480  0.000458293247  -0.004186413679
  16  Al  4.070126251171  0.059362796763  8.029952477271  -0.041969086515  -0.039755964184  0.155915043047  0.004609895955  0.004972196320  0.000102675453
  17  Al  3.950100369667  1.956399532651  1.999816385302  0.254412711941  0.106958882040  -0.014026782855  -0.005109190610  -0.004169941779  -0.000702706239
  18  Al  6.065266607162  7.980126864656  1.949128751562  -0.228568243805  0.016403974836  0.128525950552  0.003298699824  -0.004232221583  -0.004797083648
  19  Al  6.040129208492  2.064174433987  7.959652629355  -0.175071646204  -0.218385897566  0.067161545937  0.001249864234  0.004483726120  -0.006002650550
  20  Al  4.031556644876  0.061637962555  4.021351259948  -0.085910769169  -0.225775855184  -0.044467942750  0.001285300907  0.004885297061  0.000410609766
  21  Al  4.027859928540  1.990164373214  6.036483052625  0.027556113760  0.094218694745  0.115499663805  0.001141059198  -0.001344780051  0.001261515864
  22  Al  6.022995611818  0.005754092594  6.030714083612  0.014981950761  0.193185526890  0.066654587913  0.000091854138  0.000778205651  0.000702257396
  23  Al  6.067241882148  2.016593645967  4.000410681245  -0.154699644863  -0.014655965994  0.209400909396  0.003575752424  0.000741281583  -0.000973476294
  24  Al  4.026543681722  4.008587448680  0.063171815098  0.077873253567  -0.067768332159  -0.224264258423  0.001100714706  -0.000646960531  0.005028867368
  25  Al  3.994065145153  6.079336730050  2.061541768923  0.079091909462  -0.119924720480  -0.139293629295  -0.001668231242  0.004609193616  0.004346569463
  26  Al  5.992285639973  4.058335274578  1.968618298244  0.012681561124  0.017018077322  0.105875034616  -0.002532808637  0.003696453170  -0.003180013615
  27  Al  5.999510861549  6.047898735460  0.051667347181  0.023899874819  -0.116398965860  -0.146421908997  -0.001882519579  0.001971499468  0.004184328219
  28  Al  4.026915318177  4.039128677327  4.058025940209  -0.029374331114  -0.014013904773  -0.196743696892  0.000971018258  0.002005127459  0.003274902856
  29  Al  3.966185152765  6.038783273385  6.098396810837  0.280081365649  -0.050813367671  -0.184513521935  -0.003701990053  0.001290503731  0.006038483997
  30  Al  6.035988709615  3.963048650625  6.034469970958  -0.026618416321  0.102336637490  -0.002401394037  0.001129860640  -0.004281603465  0.000948491266
  31  Al  6.069885442691  6.001502656440  4.010270084074  -0.136194195212  0.077867703580  -0.132473869365  0.003833809578  -0.001682177804  -0.000656391394


MDSTEP:  25
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.024133890417  0.000000000000  0.000000000000
  0.000020579521  8.024614624710  0.000000000000
  -0.000069734598  0.000000176594  8.025978251589
VIRIAL (kbar)
  -60.925440888653  -0.132409785384  0.029581445498
  -0.132409785384  -61.082438785441  -0.670211238158
  0.029581445498  -0.670211238158  -58.035933427033
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.970425420367  8.008744627344  7.999939515613  0.187137051567  0.016860744655  -0.114501095886  -0.004088494631  -0.001263615018  -0.002283827690
  1  Al  7.999455255697  1.969613947174  1.956950692349  0.154096171760  0.105988317438  0.021268379278  -0.001767959470  -0.002814263121  -0.003992949825
  2  Al  1.975271566192  7.973681335906  1.979798013414  0.062132421818  0.061597363394  0.129348002036  -0.002392802249  -0.004081687912  -0.001973115328
  3  Al  1.972830821217  1.990375732910  8.015530158149  0.029126141124  -0.025362764833  -0.184611941116  -0.002636089396  -0.001314939379  -0.001139777434
  4  Al  0.009525265672  7.985514005254  4.090876101623  0.121094511319  0.040187106141  -0.268639330402  0.000957109206  -0.003123424993  0.005937744994
  5  Al  0.006962228604  2.005144361180  6.049078869407  -0.010223306389  -0.042605106646  -0.102544094683  0.000544896365  -0.000140503467  0.002259563033
  6  Al  1.991372567195  8.017696713148  6.008244145869  -0.055674053136  0.193616209584  0.065805162475  -0.001284512059  -0.000260303843  -0.000828088598
  7  Al  2.002018527009  2.016538988145  4.043989117186  -0.039349060878  -0.082418897771  0.032786990128  -0.000375369529  0.000715864923  0.002573522936
  8  Al  8.002611247721  4.059366858510  7.958534832493  0.010321579159  -0.140515314935  0.160130927796  -0.001731822972  0.003603994648  -0.005245139360
  9  Al  0.015768968703  6.011968322697  2.002047912882  -0.001807840089  -0.012834005495  0.091567163503  0.001287388088  -0.000539879236  -0.000216040080
  10  Al  2.036003751427  3.957950353248  1.999373726077  -0.101065394999  0.360701953584  0.158532241256  0.002302862170  -0.003855615601  -0.000348645052
  11  Al  2.017359976996  6.035197771739  0.057305628492  -0.115235244516  0.000497349416  0.080416766876  0.000739573089  0.001373904456  0.004802368038
  12  Al  7.997150951828  4.030665298384  3.970484181908  0.214875348083  -0.009080747602  0.176266787811  -0.001877204941  0.001500708992  -0.003175851879
  13  Al  0.004397430256  6.000507565075  5.973714159946  -0.015407648137  0.017617889709  0.117594215271  0.000348807013  -0.001424819294  -0.003546963494
  14  Al  1.996733396007  3.991901128099  6.039105110385  -0.093237661025  -0.124492039916  -0.122290400171  -0.000904902207  -0.001856624502  0.001415611711
  15  Al  2.053465129178  6.025480421999  3.961694517689  -0.238589041307  -0.087088967121  0.007565993540  0.003499262334  0.000443345332  -0.004188664377
  16  Al  4.069567736458  0.061804270857  8.024552966104  -0.045477558693  -0.045700435750  0.160806018540  0.004605492356  0.004968220642  0.000131074190
  17  Al  3.944783603270  1.952954688494  1.998105158668  0.266311676753  0.111903450695  -0.012445886345  -0.005066409964  -0.004153444248  -0.000705579530
  18  Al  6.062648598047  7.972446372512  1.945411117637  -0.237257618965  0.022286041161  0.139485012777  0.003259483633  -0.004231887147  -0.004776567931
  19  Al  6.036502291569  2.064965701590  7.951244211255  -0.180087316774  -0.231614868603  0.076701802394  0.001219016117  0.004446782275  -0.005994105293
  20  Al  4.029363304055  0.064026837025  4.018821340387  -0.089793811306  -0.236998750449  -0.045227879400  0.001270537711  0.004847513158  0.000402883690
  21  Al  4.025601225102  1.988107268992  6.033016092995  0.027436664686  0.098967733698  0.117565482123  0.001146827089  -0.001328493435  0.001283267252
  22  Al  6.018811034168  0.006146695532  6.026969227740  0.015444499331  0.197997351180  0.067372232336  0.000094643870  0.000813764598  0.000714749090
  23  Al  6.064762171460  2.015556678506  3.997214282075  -0.160599301203  -0.016317918651  0.215924523639  0.003550205767  0.000739057257  -0.000936139513
  24  Al  4.024271858307  4.005465652078  0.065633339979  0.079366960284  -0.069554899885  -0.237781892554  0.001115602130  -0.000659713917  0.004991165633
  25  Al  3.990430797537  6.077396381175  2.062307678294  0.085569415223  -0.124512166417  -0.147171431266  -0.001654740047  0.004590736335  0.004324079092
  26  Al  5.986813208178  4.057353967796  1.965694956275  0.017348188403  0.013559712318  0.114706775224  -0.002532010314  0.003701910709  -0.003162575604
  27  Al  5.994360464461  6.044661969402  0.053717891969  0.024852824239  -0.121783491708  -0.159073819966  -0.001879551539  0.001951656198  0.004160019127
  28  Al  4.024571209553  4.037313308334  4.056896463662  -0.030801260306  -0.014751942095  -0.202987426006  0.000966360582  0.002004036706  0.003241511558
  29  Al  3.961560039116  6.035214159725  6.097262894292  0.291216874379  -0.052499602422  -0.192854397477  -0.003653636205  0.001282221732  0.006009081875
  30  Al  6.032312775379  3.958147736031  6.030842595886  -0.028463109413  0.112794675064  -0.008175874770  0.001125777846  -0.004265520355  0.000948228041
  31  Al  6.067534343500  5.996479308619  4.007210252701  -0.143261100994  0.083556022264  -0.135539006958  0.003811662366  -0.001668982491  -0.000680832645


MDSTEP:  26
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.018323685104  0.000000000000  0.000000000000
  0.000021790500  8.018842127149  0.000000000000
  -0.000074546705  -0.000001648790  8.020358167919
VIRIAL (kbar)
  -59.081040238976  -0.141201272532  0.034442624399
  -0.141201272532  -59.256258838458  -0.720976654095
  0.034442624399  -0.720976654095  -55.974975754745
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.962614552788  8.002350658571  7.993190610989  0.196269603346  0.017791884649  -0.117589182209  -0.004057345076  -0.001261482242  -0.002306282034
  1  Al  7.992784921932  1.966794236365  1.953584797311  0.159352022583  0.112384842085  0.023057758044  -0.001741287343  -0.002796884110  -0.003991954204
  2  Al  1.972647658091  7.965906891943  1.977430887766  0.064765575871  0.070787651440  0.134906306987  -0.002383289260  -0.004072963255  -0.001950949317
  3  Al  1.970080988399  1.988283518383  8.009339240714  0.031001366904  -0.026006011022  -0.188498765367  -0.002632735536  -0.001320537590  -0.001173993043
  4  Al  0.010001087446  7.978208756105  4.090968451547  0.124794483692  0.044086981021  -0.283972564757  0.000979846113  -0.003118263025  0.005892737957
  5  Al  0.007225826416  2.003628430729  6.045968306228  -0.010659160673  -0.044103024497  -0.108112245532  0.000543450536  -0.000148362568  0.002242403385
  6  Al  1.989283458977  8.011806322198  6.003625840885  -0.054048759348  0.199024122893  0.070668910411  -0.001295311726  -0.000225388161  -0.000816499023
  7  Al  2.000377294381  2.015441731230  4.042445621610  -0.040300134245  -0.085115721929  0.031099346495  -0.000382777402  0.000701430681  0.002581149751
  8  Al  7.995946954823  4.058240702839  7.950346505617  0.010976021540  -0.146287653360  0.170353543568  -0.001731258195  0.003581087119  -0.005219482820
  9  Al  0.016400882829  6.007372645884  2.000542074946  -0.004152137519  -0.014595585652  0.093519760914  0.001287843038  -0.000542744311  -0.000199647903
  10  Al  2.035675832065  3.953191020404  1.997806449090  -0.107267900611  0.373377082741  0.165251890103  0.002285999760  -0.003792905091  -0.000319947419
  11  Al  2.016264757640  6.031543335976  0.059670328862  -0.118045089192  -0.002114264204  0.077908732286  0.000719283950  0.001374813243  0.004820097832
  12  Al  7.990429472976  4.028514904610  3.966123820552  0.224273316124  -0.012793637475  0.182250677536  -0.001839376897  0.001499893406  -0.003146149855
  13  Al  0.004565261644  5.995478109888  5.967762882219  -0.018139475941  0.017317127632  0.125183699903  0.000346070010  -0.001422785659  -0.003527888256
  14  Al  1.994827903602  3.988094290891  6.035578664317  -0.093318388413  -0.126299334063  -0.127764137584  -0.000922277280  -0.001880467825  0.001394301144
  15  Al  2.053715759171  6.021362883320  3.956826356052  -0.248174668535  -0.091456716640  0.013965493670  0.003458407532  0.000427710551  -0.004189852844
  16  Al  4.068916907443  0.064240107636  8.019006604398  -0.048214234654  -0.051607115409  0.166559883772  0.004600643464  0.004963307010  0.000160448800
  17  Al  3.939404949621  1.949477612585  1.996352659001  0.279541824685  0.118275013421  -0.012042441259  -0.005021477833  -0.004136026836  -0.000708294150
  18  Al  6.059877900515  7.964595966308  1.941666768127  -0.248117010430  0.028842228813  0.149320492340  0.003218571854  -0.004230547395  -0.004754290485
  19  Al  6.032728282886  2.065691549667  7.942682770749  -0.186945435459  -0.243861079067  0.088360039685  0.001187113576  0.004407642897  -0.005983799740
  20  Al  4.027074521448  0.066393083146  4.016206639742  -0.092871412275  -0.248315913144  -0.046842959557  0.001255173052  0.004807806981  0.000394949087
  21  Al  4.023257623045  1.986015916075  6.029438454775  0.028078960714  0.105282276495  0.120734977161  0.001152675134  -0.001311238244  0.001305533117
  22  Al  6.014497228171  0.006556641522  6.023109315861  0.013550273023  0.202354913840  0.069458314100  0.000097310074  0.000850190879  0.000727517576
  23  Al  6.062136580015  2.014474688057  3.993956855129  -0.169093942551  -0.016505294722  0.221078365624  0.003523442323  0.000736684288  -0.000897753214
  24  Al  4.021919850805  4.002251339239  0.068072391380  0.081819053572  -0.071733734976  -0.250953838712  0.001130881944  -0.000672847084  0.004951167464
  25  Al  3.986717476794  6.075313997704  2.063019083808  0.093740334971  -0.130254530334  -0.156331502231  -0.001639970349  0.004571457632  0.004300150812
  26  Al  5.981212379919  4.056286467154  1.962742309227  0.020265327901  0.009412447500  0.122470097536  -0.002530597194  0.003706784536  -0.003143715507
  27  Al  5.989082206899  6.041284144247  0.055753221999  0.024030645378  -0.128695306978  -0.171626060446  -0.001876617013  0.001930748232  0.004133536585
  28  Al  4.022137026136  4.035409529935  4.055667395886  -0.030924472107  -0.015700714608  -0.209954767723  0.000961585228  0.002002845283  0.003206991008
  29  Al  3.956874893252  6.031510128442  6.095989354327  0.303579497131  -0.055543824955  -0.200253181925  -0.003603236638  0.001273543909  0.005978392748
  30  Al  6.028503411025  3.953171310608  6.027093337874  -0.032693319968  0.124224561918  -0.013013964314  0.001121177115  -0.004247574671  0.000947037945
  31  Al  6.065038853069  5.991334061238  4.004057777539  -0.153072765514  0.087828328586  -0.139192678522  0.003788085246  -0.001654928581  -0.000705908764


MDSTEP:  27
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.012346016456  0.000000000000  0.000000000000
  0.000022981805  8.012903317445  0.000000000000
  -0.000079400878  -0.000003824327  8.014584005557
VIRIAL (kbar)
  -57.165730086317  -0.150554465924  0.039173552452
  -0.150554465924  -57.357322175271  -0.774540116805
  0.039173552452  -0.774540116805  -53.835477185461
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.954654778384  7.995791932118  7.986277586160  0.208724011211  0.019034822018  -0.121243695600  -0.004024340945  -0.001259184907  -0.002329409383
  1  Al  7.985961849137  1.963943631649  1.950183344961  0.167337450003  0.116580806460  0.027150060968  -0.001713453319  -0.002778613882  -0.003990523612
  2  Al  1.969988258754  7.957973384474  1.975037791044  0.063328659157  0.081315470309  0.141560202803  -0.002373720803  -0.004062568786  -0.001927719256
  3  Al  1.967292674969  1.986147362044  8.002977578693  0.029111897668  -0.028839353273  -0.192664660910  -0.002629445468  -0.001326483804  -0.001208981665
  4  Al  0.010487840987  7.970741734245  4.090956953804  0.130571299977  0.049426228040  -0.299459635382  0.001003472497  -0.003112346049  0.005845076082
  5  Al  0.007488295883  2.002066735826  6.042731978824  -0.007920271691  -0.047772628113  -0.115643845613  0.000542222991  -0.000156693070  0.002224110792
  6  Al  1.987147891646  8.005767289998  5.998898500181  -0.056069606620  0.204834398275  0.074793142502  -0.001306187218  -0.000189447835  -0.000804115646
  7  Al  1.998690646656  2.014294904846  4.040827304242  -0.045787538189  -0.089568781195  0.029737525928  -0.000390776258  0.000686363629  0.002588568957
  8  Al  7.989116552201  4.057017030109  7.942020558825  0.014885147796  -0.152391787618  0.180236498812  -0.001730327595  0.003557186454  -0.005192128827
  9  Al  0.017032086550  6.002650970842  1.999006160833  -0.003929846260  -0.014069628526  0.096554957928  0.001288140400  -0.000545735465  -0.000182801866
  10  Al  2.035295839172  3.948382905757  1.996215558585  -0.117429563162  0.385325539345  0.173252965734  0.002267717106  -0.003728036959  -0.000289918950
  11  Al  2.015116878387  6.027763646325  0.062040954636  -0.124279900843  -0.002896079170  0.074274835280  0.000698187977  0.001375454123  0.004837402562
  12  Al  7.983561089163  4.026279673438  3.961703489499  0.237006489853  -0.017995651615  0.188730164919  -0.001799585496  0.001498316041  -0.003115383114
  13  Al  0.004731335623  5.990325561680  5.961708071231  -0.017918292837  0.019326247188  0.132019650362  0.000343114840  -0.001420633376  -0.003507589629
  14  Al  1.992872344955  3.984193144462  6.031924877974  -0.097311763795  -0.128447810844  -0.134731956987  -0.000940053067  -0.001904729292  0.001371893858
  15  Al  2.053901349128  6.017112118964  3.951883335709  -0.261739883069  -0.094131905863  0.021640787498  0.003415535782  0.000411443321  -0.004189879802
  16  Al  4.068176845129  0.066669758354  8.013321083781  -0.053889868989  -0.057960745437  0.171351577985  0.004595152219  0.004957415026  0.000190792404
  17  Al  3.933968886088  1.945970498670  1.994560715233  0.289771793205  0.122895549801  -0.010380104112  -0.004974536662  -0.004117714580  -0.000710842357
  18  Al  6.056958501274  7.956582770527  1.937898361118  -0.254561402158  0.036828729266  0.161237012368  0.003176160048  -0.004228010922  -0.004730160193
  19  Al  6.028811541353  2.066352501792  7.933976510498  -0.189899186875  -0.258671123298  0.100175052218  0.001154337971  0.004366160312  -0.005971524717
  20  Al  4.024693334944  0.068735684469  4.013510604999  -0.098360449104  -0.259342454408  -0.047463575290  0.001239061350  0.004766189875  0.000386817630
  21  Al  4.020832494179  1.983892493334  6.025755807807  0.025764330581  0.109257645687  0.122373672441  0.001158406683  -0.001293081281  0.001328275829
  22  Al  6.010058989756  0.006984298043  6.019139919946  0.015240286495  0.206796973726  0.070005210949  0.000099962511  0.000887453436  0.000740547910
  23  Al  6.059369314398  2.013349282974  3.990642444745  -0.173031799930  -0.019240131087  0.226284950923  0.003495633226  0.000734066069  -0.000858432010
  24  Al  4.019491177400  3.998947590817  0.070487809742  0.081108952401  -0.073798679351  -0.264527912277  0.001146357427  -0.000686385417  0.004908860965
  25  Al  3.982929211927  6.073093980019  2.063676976170  0.099078119064  -0.134247090493  -0.165145215301  -0.001624021408  0.004551406551  0.004274695897
  26  Al  5.975488366109  4.055135674685  1.959762835081  0.027288991835  0.004168460287  0.131709023464  -0.002528356428  0.003710912570  -0.003123392894
  27  Al  5.983680960215  6.037769559115  0.057772229352  0.026595340582  -0.133466639467  -0.185292432526  -0.001873570661  0.001908827503  0.004104784282
  28  Al  4.019616065937  4.033420521789  4.054341716218  -0.034246902160  -0.017211677689  -0.216401323696  0.000956521770  0.002001482817  0.003171318493
  29  Al  3.952134122434  6.027675802222  6.094580934652  0.312928125859  -0.056177027453  -0.208625116588  -0.003550944989  0.001264563066  0.005946407502
  30  Al  6.024565202529  3.948123644513  6.023227151224  -0.033210511876  0.135538802782  -0.019537647855  0.001116175865  -0.004227685059  0.000944852605
  31  Al  6.062403057252  5.986072192468  4.000815921323  -0.159154108128  0.094899521716  -0.141970170942  0.003763161868  -0.001639890111  -0.000731595211


MDSTEP:  28
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.006207708031  0.000000000000  0.000000000000
  0.000024147175  8.006804971998  0.000000000000
  -0.000084279339  -0.000006378708  8.008663176795
VIRIAL (kbar)
  -55.174480120854  -0.158604641232  0.045431860079
  -0.158604641232  -55.387836402485  -0.827426517259
  0.045431860079  -0.827426517259  -51.620885351341
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.946554032650  7.989075303266  7.979207518357  0.216926947504  0.019386297955  -0.123910072492  -0.003989559869  -0.001256773921  -0.002353172011
  1  Al  7.978993570847  1.961064186391  1.946748536429  0.171030335789  0.124303696635  0.028851273193  -0.001684593859  -0.002759330645  -0.003988662830
  2  Al  1.967294936630  7.949888513006  1.972621160618  0.067195111264  0.091676827754  0.147043463372  -0.002363984643  -0.004050395557  -0.001903428672
  3  Al  1.964467426779  1.983968672857  7.996452209845  0.032574817540  -0.028475324004  -0.195497447225  -0.002626075506  -0.001332687751  -0.001244650404
  4  Al  0.010986046364  7.963120170710  4.090843959785  0.132809071931  0.053389655903  -0.315772592409  0.001027858794  -0.003105665563  0.005794663575
  5  Al  0.007749895332  2.000460621188  6.039374784385  -0.009764958570  -0.047969627138  -0.121208321628  0.000541087503  -0.000165379275  0.002204682371
  6  Al  1.984967395075  7.999586887456  5.994068047253  -0.052046296013  0.208758733419  0.080246652406  -0.001316923872  -0.000152612883  -0.000790884006
  7  Al  1.996959806046  2.013099793710  4.039137760190  -0.045099812600  -0.091170249667  0.027167299127  -0.000399220169  0.000670760142  0.002595700044
  8  Al  7.982127222818  4.055698665225  7.933565262704  0.014181703206  -0.157921683548  0.190978224761  -0.001729151197  0.003532310189  -0.005163024883
  9  Al  0.017662602721  5.997808418448  1.997442292575  -0.007971989988  -0.016782584342  0.097929752690  0.001288127443  -0.000548937700  -0.000165552402
  10  Al  2.034864578584  3.943530443603  1.994603619164  -0.122478533407  0.397663605374  0.179839914761  0.002248113984  -0.003661034261  -0.000258568926
  11  Al  2.013917486723  6.023863718704  0.064417200469  -0.125297831134  -0.006890550477  0.069809968168  0.000676443317  0.001375702522  0.004854104404
  12  Al  7.976553760309  4.023962517328  3.957227457508  0.245187097208  -0.021940804957  0.194643227332  -0.001757935001  0.001495954514  -0.003083553655
  13  Al  0.004895681489  5.985055156815  5.955555880138  -0.022057904553  0.017694384653  0.140604388369  0.000339815090  -0.001418480507  -0.003485974357
  14  Al  1.990868078297  3.980200860498  6.028148695594  -0.095141290837  -0.128571507851  -0.140085097458  -0.000958028877  -0.001929258698  0.001348397846
  15  Al  2.054022408478  6.012732959886  3.946869830922  -0.269745038876  -0.099623277122  0.029744765799  0.003370782711  0.000394441535  -0.004188589080
  16  Al  4.067350484125  0.069092639500  8.007504243060  -0.055743002651  -0.065164126661  0.176547756065  0.004589094128  0.004950424734  0.000222057124
  17  Al  3.928479725266  1.942435434583  1.992731326211  0.304723727345  0.130555663388  -0.009982489917  -0.004925425596  -0.004098388206  -0.000713224180
  18  Al  6.053894951567  7.948414257459  1.934108792330  -0.266863908819  0.044521578055  0.171679376428  0.003132113987  -0.004224172566  -0.004704117049
  19  Al  6.024756942288  2.066948913542  7.925133872142  -0.197894677604  -0.270362378630  0.113921323742  0.001120584640  0.004322377582  -0.005957087362
  20  Al  4.022222678993  0.071053656467  4.010736889287  -0.100081411490  -0.271390077456  -0.048571350714  0.001222321827  0.004722590145  0.000378533905
  21  Al  4.018329057716  1.981739024188  6.021973861607  0.027508692664  0.116880320111  0.125181998847  0.001164119781  -0.001273903150  0.001351463589
  22  Al  6.005501600952  0.007430039950  6.015066650176  0.011090726109  0.209495772388  0.072096900551  0.000102399532  0.000925405887  0.000753840885
  23  Al  6.056465158855  2.012181900652  3.987275215001  -0.183331374612  -0.018414651992  0.230562868157  0.003466612771  0.000731292432  -0.000818251144
  24  Al  4.016989185126  3.995557609742  0.072878406708  0.084625220104  -0.075159181211  -0.278640074725  0.001162123946  -0.000700256229  0.004864155017
  25  Al  3.979069886635  6.070741059947  2.064282441478  0.109525736284  -0.141229776064  -0.175032508302  -0.001606686925  0.004530467941  0.004247644074
  26  Al  5.969646906980  4.053904511595  1.956759197574  0.029459816244  -0.000829938271  0.139693381608  -0.002525352442  0.003714216048  -0.003101583830
  27  Al  5.978162061476  6.034122876406  0.059773712398  0.023972205010  -0.141950283305  -0.199680004929  -0.001870572212  0.001885750494  0.004073592240
  28  Al  4.017011452505  4.031349528105  4.052922571912  -0.033103803386  -0.017758057442  -0.222808955008  0.000951282398  0.001999983948  0.003134539408
  29  Al  3.947341969569  6.023716189354  6.093042475425  0.326802596001  -0.060389869471  -0.215889107574  -0.003496619883  0.001255173354  0.005913131706
  30  Al  6.020503234737  3.943009103887  6.019249015764  -0.039496813281  0.149373824884  -0.024873241605  0.001110588952  -0.004205631384  0.000941626024
  31  Al  6.059631545848  5.980699397078  3.997488141007  -0.171495156382  0.098293589090  -0.144591271392  0.003736661463  -0.001623943170  -0.000757800782


MDSTEP:  29
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.999915814404  0.000000000000  0.000000000000
  0.000025281204  8.000554081235  0.000000000000
  -0.000089162331  -0.000009339793  8.002603311338
VIRIAL (kbar)
  -53.114786108880  -0.168520833179  0.051285274988
  -0.168520833179  -53.345306175933  -0.882666033899
  0.051285274988  -0.882666033899  -49.328650753583
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.938320099126  7.982207760762  7.971987787497  0.230235909916  0.020455640960  -0.126935257471  -0.003952919829  -0.001254263891  -0.002377513552
  1  Al  7.971887465978  1.958158319142  1.943282407849  0.179480516828  0.129763800892  0.032724898067  -0.001654664120  -0.002738917985  -0.003986388220
  2  Al  1.964569790067  7.941660171005  1.970183380670  0.065540762014  0.103738946246  0.153508434364  -0.002354098163  -0.004036301872  -0.001878091227
  3  Al  1.961607324541  1.981749198262  7.989770507139  0.030521806499  -0.030353781612  -0.198580993759  -0.002622638426  -0.001339063762  -0.001280903708
  4  Al  0.011495910243  7.955351383871  4.090631864301  0.139003882208  0.059255701084  -0.332132246243  0.001053043490  -0.003098171540  0.005741413964
  5  Al  0.008010475784  1.998811795986  6.035901962265  -0.006252457189  -0.050731361652  -0.128839634281  0.000540112930  -0.000174340560  0.002184105915
  6  Al  1.982744097923  7.993272430939  5.989140686277  -0.053170816122  0.213341130090  0.084968270954  -0.001327441104  -0.000114990559  -0.000776748868
  7  Al  1.995186605325  2.011857992442  4.037380588784  -0.050606420367  -0.094691897616  0.024850703567  -0.000408111388  0.000654701985  0.002602455906
  8  Al  7.974985968354  4.054288597136  7.924989174554  0.019122362536  -0.163969772601  0.201871387678  -0.001727635369  0.003506459124  -0.005132074380
  9  Al  0.018292075816  5.992849980059  1.995852497715  -0.007540846642  -0.017332197804  0.100085847290  0.001287821797  -0.000552447194  -0.000147976938
  10  Al  2.034383375078  3.938638204794  1.992973122716  -0.133471020951  0.409105283800  0.187539810767  0.002227112672  -0.003591935149  -0.000225921673
  11  Al  2.012668256079  6.019848444151  0.066798693318  -0.131174308759  -0.009082100861  0.064375113117  0.000654080001  0.001375431310  0.004870039176
  12  Al  7.969415268979  4.021566570473  3.952700046788  0.258738940196  -0.027785003502  0.200718495372  -0.001714347565  0.001492749689  -0.003050693237
  13  Al  0.005057941271  5.979671965390  5.949312776434  -0.021233786144  0.018776770834  0.148502826005  0.000336224054  -0.001416409016  -0.003462942998
  14  Al  1.988817071482  3.976120897069  6.024255370918  -0.098335092831  -0.129322329956  -0.146756146375  -0.000976133647  -0.001953931236  0.001323836813
  15  Al  2.054080008088  6.008230146868  3.941790357159  -0.283397431346  -0.103289679486  0.039178023072  0.003324134788  0.000376614823  -0.004185819444
  16  Al  4.066441224514  0.071508098976  8.001564174628  -0.062385057974  -0.072951697463  0.180953927268  0.004582379187  0.004942203662  0.000254210437
  17  Al  3.922942310960  1.938874828036  1.990866431100  0.314730045102  0.136211973541  -0.008019812335  -0.004874157477  -0.004077950848  -0.000715412236
  18  Al  6.050691458190  7.940098081808  1.930300873265  -0.273162655788  0.053846645042  0.184028116149  0.003086441333  -0.004218908865  -0.004676116464
  19  Al  6.020569087599  2.067481479704  7.916163678978  -0.200180619135  -0.285134455000  0.128100980898  0.001085910260  0.004276291413  -0.005940269703
  20  Al  4.019665943243  0.073345930373  4.007889211503  -0.106162074927  -0.282745387383  -0.048953127262  0.001204899516  0.004676971821  0.000370118522
  21  Al  4.015751014449  1.979557910414  6.018098594973  0.024060443959  0.122074692657  0.126383084445  0.001169712569  -0.001253592271  0.001375057698
  22  Al  6.000829996585  0.007894087687  6.010895418820  0.012385206731  0.212515289548  0.072788022502  0.000104585640  0.000963922825  0.000767409672
  23  Al  6.053428508333  2.010974351684  3.983859354112  -0.187476010185  -0.020275235307  0.234586565840  0.003436357950  0.000728440867  -0.000777313382
  24  Al  4.014417716194  3.992084768170  0.075242953009  0.082669284049  -0.076460703684  -0.293226632459  0.001178070314  -0.000714391679  0.004816951815
  25  Al  3.975143955789  6.068259868901  2.064836530379  0.115215488319  -0.146091574428  -0.184819011493  -0.001587932480  0.004508559637  0.004218902932
  26  Al  5.963693479699  4.052596033058  1.953733998123  0.037359578821  -0.007214309634  0.149418510212  -0.002521504519  0.003716590155  -0.003078240535
  27  Al  5.972530555315  6.030348589872  0.061756410965  0.026300726806  -0.147673044977  -0.214864648548  -0.001867641550  0.001861428979  0.004039818532
  28  Al  4.014326826887  4.029199989400  4.051413227149  -0.037082493662  -0.019369573157  -0.228924848729  0.000945807420  0.001998338316  0.003096678643
  29  Al  3.942503194554  6.019636141018  6.091379087500  0.335179325854  -0.061987613304  -0.223803501825  -0.003440341853  0.001245287055  0.005878599675
  30  Al  6.016322253447  3.937832382179  6.015164181900  -0.040596621936  0.162698378901  -0.032034745859  0.001104362812  -0.004181228463  0.000937299539
  31  Al  6.056728529224  5.975221199752  3.994078015430  -0.178316565880  0.104677465832  -0.146692410927  0.003708512973  -0.001607146770  -0.000784466030


MDSTEP:  30
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.993477593461  0.000000000000  0.000000000000
  0.000026377492  7.994157851852  0.000000000000
  -0.000094030429  -0.000012736356  7.996412258311
VIRIAL (kbar)
  -50.979582546509  -0.175882588932  0.058478315556
  -0.175882588932  -51.233876608861  -0.937722069459
  0.058478315556  -0.937722069459  -46.962656847768
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.929961414154  7.975196571140  7.964625957614  0.239050418816  0.020866298820  -0.129405448568  -0.003914360344  -0.001251648599  -0.002402416277
  1  Al  7.964651539213  1.955228296080  1.939787238631  0.183148620544  0.136753775406  0.035934668490  -0.001623662959  -0.002717437920  -0.003983561585
  2  Al  1.961814470335  7.933296614449  1.967726975061  0.068556496271  0.116022195910  0.159802836273  -0.002344135375  -0.004020111073  -0.001851631100
  3  Al  1.958714002511  1.979490536598  7.982940039041  0.033617679368  -0.031052756118  -0.200542532353  -0.002619165176  -0.001345706553  -0.001317664771
  4  Al  0.012017993072  7.947443073730  4.090323176459  0.140835846473  0.064240181926  -0.349200829083  0.001078991413  -0.003089769613  0.005685250992
  5  Al  0.008270367436  1.997121793331  6.032318734947  -0.007890047531  -0.052002171214  -0.135816052837  0.000539317526  -0.000183673469  0.002162251774
  6  Al  1.980479716563  7.986831510687  5.984122719332  -0.048899584189  0.216516373077  0.090160979872  -0.001337716200  -0.000076645388  -0.000761731666
  7  Al  1.993372373437  2.010570978671  4.035559525430  -0.050875870054  -0.097248477519  0.021483065927  -0.000417536068  0.000638102253  0.002608763355
  8  Al  7.967700495212  4.052789880715  7.916301076944  0.018749003704  -0.169454638144  0.213313323577  -0.001725749090  0.003479632995  -0.005099208211
  9  Al  0.018920551122  5.987781001677  1.994238928112  -0.011839801978  -0.019223120008  0.101769232083  0.001287199416  -0.000556190492  -0.000130046751
  10  Al  2.033853075516  3.933710782376  1.991326714870  -0.139608074768  0.420590563533  0.194682378603  0.002204612280  -0.003520808670  -0.000191924886
  11  Al  2.011370476718  6.015723038961  0.069184980287  -0.132137015349  -0.012605030406  0.058142984009  0.000631100968  0.001374681451  0.004885045410
  12  Al  7.962154077865  4.019094907006  3.948125699030  0.267215388767  -0.032793097987  0.206512347135  -0.001668791955  0.001488604671  -0.003016808104
  13  Al  0.005218200242  5.974181459708  5.942985325622  -0.025416282382  0.018156720196  0.157033336264  0.000332337292  -0.001414327546  -0.003438495797
  14  Al  1.986720861761  3.971956761231  6.020250206563  -0.096128117614  -0.128528260048  -0.152881987022  -0.000994364468  -0.001978664852  0.001298138791
  15  Al  2.054074768799  6.003608746256  3.936649652406  -0.292153971082  -0.107878748209  0.049179846633  0.003275518968  0.000358042055  -0.004181396858
  16  Al  4.065452145802  0.073915438332  7.995509119745  -0.065039325140  -0.081385001118  0.185368825797  0.004574931997  0.004932637322  0.000287184387
  17  Al  3.917361139119  1.935290955695  1.988968162833  0.329667573315  0.143414595402  -0.006721151102  -0.004820726316  -0.004056439002  -0.000717325365
  18  Al  6.047352920683  7.931642254487  1.926477633720  -0.284462775724  0.063237111441  0.196282136186  0.003039226299  -0.004212063977  -0.004645990289
  19  Al  6.016253243331  2.067950679031  7.907075003786  -0.207313387633  -0.298284522622  0.143568291101  0.001050388971  0.004227764488  -0.005920910932
  20  Al  4.017026230859  0.075611505657  4.004971465780  -0.107940522435  -0.295040079709  -0.049369755988  0.001186787140  0.004629306074  0.000361632564
  21  Al  4.013101703628  1.977351388201  6.014136009348  0.025354790245  0.128883948846  0.127978856976  0.001175144204  -0.001232218682  0.001398950070
  22  Al  5.996049750514  0.008376690601  6.006632178485  0.008468036366  0.214165403689  0.073795942175  0.000106541446  0.001002912136  0.000781157601
  23  Al  6.050264465016  2.009728261172  3.980399135752  -0.196886681563  -0.020484910715  0.238101074438  0.003404943651  0.000725418148  -0.000735684077
  24  Al  4.011780226191  3.988532550840  0.077580184335  0.085566733229  -0.077374862114  -0.308095210956  0.001194141297  -0.000728752214  0.004767176225
  25  Al  3.971155547450  6.065655396239  2.065340363731  0.126197405378  -0.152325940395  -0.195097343051  -0.001567707224  0.004485743977  0.004188431886
  26  Al  5.957634222087  4.051213283252  1.950690043986  0.040906759212  -0.013656369830  0.158644938264  -0.002516687035  0.003717902732  -0.003053247485
  27  Al  5.966792078222  6.026451605048  0.063718999721  0.023914159834  -0.155564142577  -0.231008695611  -0.001864756275  0.001835912676  0.004003299647
  28  Al  4.011565474563  4.026975361392  4.049817086752  -0.035975453441  -0.020267571738  -0.234886290496  0.000940092546  0.001996513058  0.003057771397
  29  Al  3.937622161271  6.015440905493  6.089595996992  0.348801238275  -0.065145533207  -0.231567887563  -0.003382127077  0.001234996955  0.005842759967
  30  Al  6.012027621395  3.932598228780  6.010977902715  -0.046865846923  0.177990029756  -0.038953590362  0.001097497420  -0.004154340290  0.000931729805
  31  Al  6.053698868014  5.969643551857  3.990589278744  -0.190617391990  0.109478035675  -0.148208288813  0.003678714946  -0.001589372650  -0.000811493064


MDSTEP:  31
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.986900522267  0.000000000000  0.000000000000
  0.000027431231  7.987623688935  0.000000000000
  -0.000098862572  -0.000016596585  7.990098068615
VIRIAL (kbar)
  -48.778540145517  -0.185699162670  0.066009887118
  -0.185699162670  -49.050274338437  -0.994666793205
  0.066009887118  -0.994666793205  -44.521462354074
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.921486228765  7.968049139260  7.957129840825  0.251432609613  0.023019387851  -0.131736488498  -0.003873958341  -0.001248830165  -0.002427817854
  1  Al  7.957293585076  1.952276565950  1.936265293434  0.190324216720  0.141897629754  0.040333340439  -0.001591700968  -0.002694915179  -0.003980132492
  2  Al  1.959031099528  7.924806312011  1.965254499921  0.066686219384  0.131060270282  0.166816776614  -0.002334113548  -0.004001551904  -0.001823995816
  3  Al  1.955789608306  1.977194440018  7.975968674499  0.031914498089  -0.033552125145  -0.202400503623  -0.002615622572  -0.001352671370  -0.001354824969
  4  Al  0.012552468968  7.939403055873  4.089920451622  0.145732289844  0.072081031966  -0.366714943395  0.001105587522  -0.003080279946  0.005626062518
  5  Al  0.008529442489  1.995392329495  6.028630538111  -0.005652593144  -0.055324396065  -0.144050691840  0.000538587002  -0.000193428730  0.002139062446
  6  Al  1.978176505567  7.980271789498  5.979020640725  -0.048794172628  0.221403177298  0.094781679872  -0.001347638535  -0.000037547752  -0.000745839516
  7  Al  1.991518963024  2.009240367240  4.033678316203  -0.056053982141  -0.101495019011  0.018118306638  -0.000427465462  0.000620894543  0.002614526635
  8  Al  7.960278253868  4.051205725984  7.907509995570  0.022612702029  -0.176701932881  0.225249740716  -0.001723587106  0.003451720194  -0.005064326404
  9  Al  0.019547654475  5.982606857597  1.992603743462  -0.012865634178  -0.019196705269  0.103618100899  0.001286128850  -0.000560116077  -0.000111788185
  10  Al  2.033275020124  3.928752867131  1.989667041328  -0.151063921542  0.429875324337  0.202613639124  0.002180567611  -0.003447840511  -0.000156555201
  11  Al  2.010025935324  6.011492751102  0.071575544176  -0.137681383326  -0.014555213007  0.051066738419  0.000607533905  0.001373473306  0.004898972598
  12  Al  7.954778413924  4.016550777333  3.943508926945  0.279772203614  -0.040639185788  0.212165873972  -0.001621352288  0.001483338429  -0.002981931521
  13  Al  0.005376098983  5.968589107121  5.936580295827  -0.025963359518  0.019767636373  0.165547875452  0.000328031537  -0.001412187862  -0.003412572958
  14  Al  1.984581524807  3.967712195314  6.016138707318  -0.098164618356  -0.129441515928  -0.159937925227  -0.001012618138  -0.002003473964  0.001271266401
  15  Al  2.054007811032  5.998873891631  3.931452600268  -0.305652350066  -0.110816027651  0.060218602700  0.003224943024  0.000338786663  -0.004175173128
  16  Al  4.064386801812  0.076313908824  7.989347522361  -0.070892206514  -0.088891441392  0.189181734120  0.004566819211  0.004921746134  0.000320927752
  17  Al  3.911741249569  1.931686276430  1.987038644401  0.340887313569  0.148767600158  -0.004149592892  -0.004765016167  -0.004033875315  -0.000718908439
  18  Al  6.043883962586  7.923054984969  1.922642138466  -0.290567524794  0.075401493896  0.209607134844  0.002990480808  -0.004203379656  -0.004613644812
  19  Al  6.011814410487  2.068357191662  7.897877227484  -0.209296017965  -0.314438848096  0.159829365235  0.001014044931  0.004176666089  -0.005898817668
  20  Al  4.014307141907  0.077849304891  4.001987644627  -0.113098520144  -0.305409424224  -0.049217721797  0.001168065046  0.004579674211  0.000353123099
  21  Al  4.010385001309  1.975121886289  6.010092294623  0.022595903770  0.133715627868  0.128211718197  0.001180475673  -0.001209812112  0.001423054330
  22  Al  5.991166136412  0.008877977056  6.002283062448  0.009025051051  0.217126022368  0.074085305949  0.000108200811  0.001042370094  0.000795048891
  23  Al  6.046977831041  2.008445452724  3.976898887505  -0.201290835011  -0.023009728015  0.241231361467  0.003372342031  0.000722164129  -0.000693440297
  24  Al  4.009080716515  3.984904575461  0.079888818518  0.084311892358  -0.079587424758  -0.323585933481  0.001210399621  -0.000743419633  0.004714739708
  25  Al  3.967109371639  6.062932663954  2.065795075225  0.133830300444  -0.156573266057  -0.205210204122  -0.001545834175  0.004462071288  0.004156196000
  26  Al  5.951475044854  4.049759405589  1.947630143642  0.049624208533  -0.022494883028  0.169111193671  -0.002510824133  0.003717931006  -0.003026533764
  27  Al  5.960952008060  6.022436785169  0.065660073658  0.026084549226  -0.160993456417  -0.247917262308  -0.001861929253  0.001809224523  0.003963874691
  28  Al  4.008731248287  4.024679265848  4.048137675053  -0.038827508203  -0.023429535066  -0.240499485845  0.000934237448  0.001994368021  0.003017857920
  29  Al  3.932703809188  6.011135742630  6.087698603622  0.358376185335  -0.066171541852  -0.239889799346  -0.003321861913  0.001224352675  0.005805569306
  30  Al  6.007624407175  3.927311662687  6.006695605671  -0.048864630502  0.191896642447  -0.047131176734  0.001089910774  -0.004124908784  0.000924824004
  31  Al  6.050547104867  5.963972409959  3.987025817369  -0.198480885546  0.116709825051  -0.149346759219  0.003647169012  -0.001570542345  -0.000838796617


MDSTEP:  32
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.980192262532  0.000000000000  0.000000000000
  0.000028436315  7.980959200069  0.000000000000
  -0.000103637240  -0.000020949261  7.983668993085
VIRIAL (kbar)
  -46.502223812750  -0.192416191763  0.074977315636
  -0.192416191763  -46.799529823905  -1.050132798487
  0.074977315636  -1.050132798487  -42.010381292287
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.912903290995  7.960773225835  7.949507458173  0.260534839837  0.022935592665  -0.133669230015  -0.003831682094  -0.001245851756  -0.002453669850
  1  Al  7.949821893593  1.949305458892  1.932718987187  0.193577372010  0.149495175720  0.043164313739  -0.001558811929  -0.002671291821  -0.003976131212
  2  Al  1.956221404541  7.916198175198  1.962768622744  0.069529408584  0.144886672230  0.172268766242  -0.002324046076  -0.003980480838  -0.001795257257
  3  Al  1.952835903094  1.974862547858  7.968864489945  0.035045983293  -0.033951957299  -0.202973883578  -0.002612005473  -0.001359931209  -0.001392260966
  4  Al  0.013099786284  7.931239598993  4.089426314169  0.147077374301  0.077790252397  -0.384731339121  0.001132789227  -0.003069634261  0.005563754649
  5  Al  0.008787920367  1.993624987331  6.024842848280  -0.007305394951  -0.056128650084  -0.150723292750  0.000537919649  -0.000203565260  0.002114561451
  6  Al  1.975836390526  7.973601284821  5.973841042354  -0.043568845340  0.222941435259  0.101300598798  -0.001357122001  0.000002158337  -0.000728951870
  7  Al  1.989627833442  2.007867673279  4.031740811264  -0.056474948810  -0.103624496399  0.013565064045  -0.000437913740  0.000603115410  0.002619637533
  8  Al  7.952727255607  4.049539291233  7.898625192412  0.022538683237  -0.181916138001  0.237636415967  -0.001721121113  0.003422740411  -0.005027337589
  9  Al  0.020173305269  5.977333244476  1.990949167913  -0.017519747222  -0.021485208019  0.103782305658  0.001284577038  -0.000564259465  -0.000093336020
  10  Al  2.032650122490  3.923769048639  1.987996867792  -0.157704079904  0.440748560238  0.208782444668  0.002154929789  -0.003373078307  -0.000119897012
  11  Al  2.008636055234  6.007163122984  0.073969799522  -0.138183022175  -0.018815473496  0.042774788869  0.000583418058  0.001371739671  0.004911632513
  12  Al  7.947297050472  4.013937281214  3.938854325895  0.288246646797  -0.046436622464  0.217582897758  -0.001572023883  0.001476878140  -0.002946092737
  13  Al  0.005531602935  5.962900723809  5.930104598388  -0.030257302646  0.018781951936  0.175923891281  0.000323296064  -0.001410021641  -0.003385004594
  14  Al  1.982400801549  3.963390887199  6.011926446882  -0.095174801921  -0.126925306585  -0.165238675224  -0.001030824813  -0.002028204377  0.001243290419
  15  Al  2.053879881644  5.994031016453  3.926204270766  -0.314218726735  -0.115867051410  0.072064443497  0.003172417896  0.000318805591  -0.004166978444
  16  Al  4.063248559656  0.078702851073  7.983087972759  -0.074062897740  -0.098987601137  0.193194439255  0.004557990686  0.004909376527  0.000355406329
  17  Al  3.906087434753  1.928063128285  1.985080161524  0.356225225864  0.156518952936  -0.003245605092  -0.004706983599  -0.004010206159  -0.000720196005
  18  Al  6.040289813819  7.914344927050  1.918797590860  -0.301662139026  0.086440345358  0.221873524250  0.002940217773  -0.004192703779  -0.004579072316
  19  Al  6.007258190838  2.068701485548  7.888579992937  -0.215709695593  -0.328063460677  0.178014951293  0.000976939515  0.004122946437  -0.005873739199
  20  Al  4.011512068661  0.080058429434  3.998941891972  -0.114667853760  -0.318295131716  -0.049242560958  0.001148749811  0.004528016463  0.000344624546
  21  Al  4.007604515142  1.972871704910  6.005973670733  0.023347845946  0.141035653719  0.129820659363  0.001185657812  -0.001186324152  0.001447371742
  22  Al  5.986184966893  0.009398193248  5.997854290779  0.004607271775  0.216837387650  0.075632244738  0.000109518702  0.001082124782  0.000809131836
  23  Al  6.043573999521  2.007127594373  3.973363001162  -0.210590267406  -0.022939449750  0.243254562002  0.003338558323  0.000718703042  -0.000650712695
  24  Al  4.006322910589  3.981204443983  0.082167525229  0.086510047492  -0.079427418354  -0.339178789613  0.001226782781  -0.000758298235  0.004659569622
  25  Al  3.963009928139  6.060097029994  2.066201869803  0.145701952442  -0.163197910610  -0.217124212587  -0.001522230324  0.004437502000  0.004122043100
  26  Al  5.945222455332  4.048237435596  1.944557261671  0.054025238420  -0.030278798709  0.178222066167  -0.002503836555  0.003716551356  -0.002998104927
  27  Al  5.955016264946  6.018309368224  0.067578165610  0.023399045870  -0.169361504026  -0.265951500243  -0.001859185937  0.001781318520  0.003921367612
  28  Al  4.005827740143  4.022315225953  4.046378652364  -0.037754738694  -0.024184552608  -0.246103397986  0.000928238045  0.001991914338  0.002976965495
  29  Al  3.927752802514  6.006726256148  6.085692416256  0.371887811094  -0.069614000667  -0.246761602368  -0.003259549590  0.001213327270  0.005767100575
  30  Al  6.003118200912  3.921977673812  6.002322757037  -0.055607060049  0.209646965132  -0.054209953023  0.001081558831  -0.004092707798  0.000916565731
  31  Al  6.047278322224  5.958214097156  3.983391650407  -0.211793224991  0.121441786771  -0.149704335033  0.003613779348  -0.001550659240  -0.000866273796


MDSTEP:  33
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.973360682908  0.000000000000  0.000000000000
  0.000029388561  7.974172174342  0.000000000000
  -0.000108331240  -0.000025821791  7.977133460395
VIRIAL (kbar)
  -44.162187373491  -0.201692611522  0.084031817833
  -0.201692611522  -44.477237773224  -1.107472428104
  0.084031817833  -1.107472428104  -39.427608887845
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.904221260141  7.953376572654  7.941767040631  0.274428904827  0.024637674044  -0.134747239095  -0.003787390261  -0.001242752668  -0.002479859732
  1  Al  7.942244609332  1.946317566101  1.929150633119  0.201550793190  0.155528485908  0.047753309167  -0.001524921154  -0.002646484580  -0.003971537069
  2  Al  1.953387584126  7.907481183269  1.960271912952  0.066915500488  0.161490016455  0.179067520049  -0.002313997418  -0.003956752067  -0.001765431247
  3  Al  1.949855130202  1.972496731985  7.961635852681  0.033006898692  -0.035713798676  -0.203010794918  -0.002608341920  -0.001367419819  -0.001429810519
  4  Al  0.013660080103  7.922960958986  4.088843441244  0.152489475928  0.086092097198  -0.403881334793  0.001160643538  -0.003057787724  0.005498171758
  5  Al  0.009045675266  1.991821620997  6.020961418325  -0.003846061318  -0.058592887775  -0.159143363707  0.000537424398  -0.000214006940  0.002088728522
  6  Al  1.973461807742  7.966827896947  5.968590818008  -0.042780584659  0.226030610956  0.106671492509  -0.001366104600  0.000042314333  -0.000710999562
  7  Al  1.987700921811  2.006454648269  4.029750847321  -0.062149700735  -0.106857011304  0.008482255280  -0.000448925961  0.000584853926  0.002623940039
  8  Al  7.945055366678  4.047794013733  7.889656139752  0.027783732833  -0.188852084560  0.251059252504  -0.001718225963  0.003392716948  -0.004988101767
  9  Al  0.020797102292  5.971965787710  1.989277319181  -0.017985736188  -0.022189188220  0.104803933292  0.001282592676  -0.000568685965  -0.000074763296
  10  Al  2.031979783198  3.918764144147  1.986318846441  -0.170035511239  0.449441301494  0.216365544958  0.002127616494  -0.003296567934  -0.000081978832
  11  Al  2.007202764882  6.002739628619  0.076367059417  -0.143432512759  -0.022009862414  0.034050750886  0.000558777842  0.001369367897  0.004922873453
  12  Al  7.939718601861  4.011257795098  3.934166554320  0.302237303414  -0.054884893981  0.222337360639  -0.001520673582  0.001469167578  -0.002909367722
  13  Al  0.005684345749  5.957122028918  5.923565439180  -0.029605364903  0.019604629072  0.185485023364  0.000318237327  -0.001407898364  -0.003355692048
  14  Al  1.980180934856  3.958996920469  6.007619291292  -0.096664411360  -0.125934498844  -0.172200605548  -0.001048935633  -0.002052685414  0.001214216276
  15  Al  2.053692227556  5.989085502607  3.920909888741  -0.327987187958  -0.119780085041  0.084683322520  0.003117913297  0.000298009784  -0.004156666303
  16  Al  4.062041138250  0.081081382642  7.976739257202  -0.081660327400  -0.108311870434  0.196917611810  0.004548286280  0.004895360804  0.000390613789
  17  Al  3.900404952145  1.924424103508  1.983094894241  0.366531276671  0.163016108211  -0.000429059281  -0.004646702559  -0.003985324530  -0.000721165401
  18  Al  6.036575420524  7.905520809720  1.914947137003  -0.306837839543  0.100020685540  0.236019460133  0.002888514792  -0.004179904704  -0.004542192650
  19  Al  6.002589949168  2.068984307784  7.879193283982  -0.216558641617  -0.344108670778  0.197419078295  0.000939171239  0.004066607805  -0.005845386413
  20  Al  4.008644830427  0.082237763243  3.995838425438  -0.120726707058  -0.329441316937  -0.049109365722  0.001128758728  0.004474256299  0.000336134641
  21  Al  4.004764273552  1.970603411310  6.001786616002  0.018830847177  0.146834201742  0.129486852589  0.001190532643  -0.001161665515  0.001471851653
  22  Al  5.981111766421  0.009937297125  5.993352330463  0.005013194847  0.217788052579  0.075781375708  0.000110481276  0.001121997685  0.000823393992
  23  Al  6.040058087705  2.005776633270  3.969795857146  -0.214484393514  -0.024880761077  0.244367175231  0.003303633369  0.000715086280  -0.000607679171
  24  Al  4.003510946648  3.977436060273  0.084414972355  0.083380501994  -0.080357087008  -0.354863057133  0.001243123045  -0.000773273549  0.004601640633
  25  Al  3.958862198632  6.057153782818  2.066561842249  0.153166103795  -0.168440776034  -0.228313695164  -0.001496907175  0.004411942300  0.004085870800
  26  Al  5.938882727820  4.046650599430  1.941474281275  0.063855915068  -0.040234776309  0.189018976115  -0.002495621683  0.003713659990  -0.002967926548
  27  Al  5.948990488741  6.014074468376  0.069471713881  0.025576987909  -0.175796988124  -0.284068467946  -0.001856524379  0.001752101237  0.003875663052
  28  Al  4.002858999821  4.019887074391  4.044543773530  -0.041888630025  -0.027056502158  -0.251805965942  0.000921978656  0.001989176261  0.002935081454
  29  Al  3.922774258207  6.002217972750  6.083583215738  0.379927511508  -0.071470064492  -0.254783530763  -0.003195320732  0.001201844955  0.005727373654
  30  Al  5.998514327714  3.916601681459  5.997865056061  -0.057852866080  0.226060963473  -0.063030362587  0.001072417693  -0.004057506461  0.000906895306
  31  Al  6.043897278499  5.952374847514  3.979690954600  -0.220198471982  0.128368297492  -0.150383452449  0.003578491953  -0.001529747844  -0.000893884072


MDSTEP:  34
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.966413818578  0.000000000000  0.000000000000
  0.000030282443  7.967270589222  0.000000000000
  -0.000112921361  -0.000031242126  7.970500075967
VIRIAL (kbar)
  -41.749333308258  -0.207467204149  0.094498120796
  -0.207467204149  -42.090688239414  -1.162802225057
  0.094498120796  -1.162802225057  -36.775507734733
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.895449383318  7.945867267108  7.933917068677  0.284674890666  0.024411558843  -0.136923767929  -0.003740974217  -0.001239544613  -0.002506408670
  1  Al  7.934570462600  1.943315381780  1.925562739667  0.205334376076  0.162999615219  0.052144150578  -0.001489977799  -0.002620500917  -0.003966206805
  2  Al  1.950531386019  7.898664746035  1.957767101651  0.068998809615  0.177363195275  0.185927908264  -0.002304033548  -0.003930176411  -0.001734388395
  3  Al  1.946849108200  1.970098787052  7.954291352795  0.035802717346  -0.036715995902  -0.203052002272  -0.002604659939  -0.001375190718  -0.001467426423
  4  Al  0.014233849259  7.914575807036  4.088174505864  0.154426190899  0.092635871513  -0.422105287909  0.001189204276  -0.003044661964  0.005429285726
  5  Al  0.009303038882  1.989983982685  6.016991980811  -0.004729244543  -0.059745530046  -0.167475785978  0.000537169835  -0.000224785478  0.002061411464
  6  Al  1.971054835274  7.959959852517  5.963276890225  -0.036893531523  0.226271072256  0.112272894057  -0.001374526105  0.000082806201  -0.000692062501
  7  Al  1.985739736282  2.005002992918  4.027712306098  -0.062996271992  -0.109546575470  0.003564541877  -0.000460540882  0.000566058452  0.002627398983
  8  Al  7.937271092216  4.045973275751  7.880612571355  0.028589938361  -0.194061368356  0.263507733532  -0.001714821177  0.003361645671  -0.004946606136
  9  Al  0.021419019603  5.966510394677  1.987590435568  -0.022280486709  -0.024117672905  0.105570720359  0.001280206537  -0.000573363422  -0.000056015264
  10  Al  2.031264938247  3.913742864522  1.984635799733  -0.177820166495  0.459168465309  0.223648007656  0.002098521205  -0.003218404861  -0.000042698471
  11  Al  2.005727609873  5.998227980626  0.078766605771  -0.143954783638  -0.026175624010  0.022871902286  0.000533609486  0.001366364912  0.004932432593
  12  Al  7.932052338916  4.008515554551  3.929450295060  0.311511180781  -0.061553035533  0.228227458761  -0.001467224810  0.001460126367  -0.002871709786
  13  Al  0.005834402726  5.951259042010  5.916970078467  -0.033042565583  0.019021742931  0.195516255005  0.000312931247  -0.001405781036  -0.003324660950
  14  Al  1.977923806757  3.954534333287  6.003223092682  -0.093280117354  -0.121985385855  -0.178811995392  -0.001066915272  -0.002076788293  0.001183923766
  15  Al  2.053445676155  5.984042975308  3.915574830128  -0.337047364799  -0.124284176421  0.099499950191  0.003061378857  0.000276446285  -0.004143965548
  16  Al  4.060767950696  0.083448696895  7.970310313192  -0.086224832218  -0.119708776826  0.199244374973  0.004537576996  0.004879577227  0.000426400995
  17  Al  3.894698685161  1.920771723084  1.981085236671  0.381115023492  0.170578114797  0.002158407378  -0.004584232730  -0.003959242518  -0.000721665256
  18  Al  6.032746386124  7.896591771201  1.911094128030  -0.316890229820  0.112923865805  0.250277701869  0.002835459642  -0.004164810406  -0.004502820763
  19  Al  5.997815673967  2.069206242027  7.869727361063  -0.221859934001  -0.358644769204  0.216975692705  0.000900836832  0.004007561080  -0.005813628243
  20  Al  4.005708930190  0.084386352550  3.992681565738  -0.123287667155  -0.342442211037  -0.047566900666  0.001108000886  0.004418376217  0.000327793001
  21  Al  4.001867918552  1.968319481530  5.997537569728  0.018305784128  0.153799331145  0.128992592328  0.001194985028  -0.001135865011  0.001496305874
  22  Al  5.975952615742  0.010495358345  5.988783657255  0.000418831717  0.216071249653  0.075905098903  0.000111072373  0.001161862078  0.000837708124
  23  Al  6.036435825693  2.004394384652  3.966201841586  -0.223298894549  -0.025247847426  0.246070137829  0.003267605771  0.000711273962  -0.000564366038
  24  Al  4.000648570902  3.973603323940  0.086629827027  0.084340644344  -0.079556610341  -0.372072287510  0.001259309421  -0.000788288431  0.004540800048
  25  Al  3.954670850734  6.054108482325  2.066876202800  0.165009975059  -0.174689637656  -0.239755124048  -0.001469863556  0.004385420872  0.004047715098
  26  Al  5.932462742612  4.045002028595  1.938384275851  0.069769823617  -0.049553722775  0.199736217771  -0.002486040967  0.003709115539  -0.002935850006
  27  Al  5.942880875251  6.009737516640  0.071339155552  0.023134111407  -0.184101183917  -0.304692870989  -0.001853921590  0.001721574810  0.003826521841
  28  Al  3.999828695521  4.017398551484  4.042636877772  -0.041671758065  -0.028189158455  -0.256023015187  0.000915381578  0.001986118305  0.002892325155
  29  Al  3.917772881220  5.997616703715  6.081376821765  0.392302552888  -0.074330619616  -0.262786140312  -0.003129270401  0.001189956140  0.005686280424
  30  Al  5.993818640524  3.911189073055  5.993328180246  -0.064744179987  0.245659150004  -0.072087498478  0.001062472171  -0.004019132512  0.000895633474
  31  Al  6.040409300108  5.946461229884  3.975927965144  -0.233712821965  0.133746669001  -0.148759069651  0.003541283076  -0.001507747526  -0.000921450633


MDSTEP:  35
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.959359892002  0.000000000000  0.000000000000
  0.000031114572  7.960262582642  0.000000000000
  -0.000117382932  -0.000037236530  7.963777608280
VIRIAL (kbar)
  -39.274508782691  -0.215395380829  0.103658849648
  -0.215395380829  -39.634303961175  -1.219523953158
  0.103658849648  -1.219523953158  -34.056259090505
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.886596766336  7.938253384490  7.925966083895  0.298064947063  0.025275063136  -0.137804005480  -0.003692472530  -0.001236301573  -0.002533298297
  1  Al  7.926807994750  1.940301565182  1.921957832130  0.212141823670  0.169934454592  0.057222400296  -0.001454082682  -0.002593256310  -0.003960092724
  2  Al  1.947655023536  7.889758363077  1.955256963369  0.066832151861  0.195234257376  0.193137660371  -0.002294112524  -0.003900634032  -0.001702088389
  3  Al  1.943820132656  1.967670615422  7.946839741022  0.034755997607  -0.037848570615  -0.202023047676  -0.002600868766  -0.001383187302  -0.001505013602
  4  Al  0.014821286391  7.906092813967  4.087422354110  0.158764078614  0.101127866101  -0.441821980347  0.001218376288  -0.003030236106  0.005357036211
  5  Al  0.009559957174  1.988113982966  6.012940401753  -0.002280443707  -0.061346282106  -0.176502420274  0.000537065399  -0.000235824221  0.002032552108
  6  Al  1.968618055052  7.953005285054  5.957906323296  -0.034265050882  0.227257222820  0.117713195725  -0.001382220754  0.000123447716  -0.000672132375
  7  Al  1.983746264092  2.003514498406  4.025629169633  -0.067942056758  -0.112288418458  -0.002382668709  -0.000472694037  0.000546771279  0.002629934368
  8  Al  7.929382727694  4.044080700954  7.871504289062  0.033058856133  -0.200413267030  0.277402852009  -0.001710974307  0.003329574222  -0.004902801090
  9  Al  0.022038692901  5.960972983234  1.985890773147  -0.023837706844  -0.025566807399  0.106227959710  0.001277319644  -0.000578358495  -0.000037123650
  10  Al  2.030506981712  3.908710088506  1.982950563754  -0.189924683927  0.467471075830  0.231159339196  0.002067659891  -0.003138617056  -0.000002059686
  11  Al  2.004212607872  5.993633927173  0.081167508564  -0.148004227947  -0.030428570195  0.011601990117  0.000508018404  0.001362634468  0.004940077209
  12  Al  7.924307297268  4.005714037489  3.924710409316  0.324566676060  -0.070107425929  0.233111530324  -0.001411756027  0.001449742374  -0.002833102924
  13  Al  0.005981486787  5.945317776500  5.910325935529  -0.033292057580  0.019076781376  0.205782738633  0.000307296556  -0.001403737296  -0.003291842970
  14  Al  1.975631782507  3.950007506937  5.998743858806  -0.093104209184  -0.118769666048  -0.185890424259  -0.001084614626  -0.002100313185  0.001152399369
  15  Al  2.053141529958  5.978909128626  3.910204742461  -0.350073895459  -0.128732680178  0.114536564606  0.003002874642  0.000254065372  -0.004128654098
  16  Al  4.059550166258  0.085841047333  0.000036197773  -0.093705937095  -0.130808188259  0.201887352780  0.004525868683  0.004861861393  0.000462672795
  17  Al  3.888973986700  1.917108637752  1.979053602121  0.392465651013  0.178009611081  0.005433830683  -0.004519472895  -0.003931871660  -0.000721653558
  18  Al  6.028808025728  7.887567043914  1.907241958735  -0.322405933661  0.127821263209  0.265403278700  0.002781016548  -0.004147297486  -0.004460861881
  19  Al  5.992941099824  2.069368054832  7.860192652229  -0.222830818026  -0.374404633528  0.238444424181  0.000861922744  0.003945824045  -0.005778271298
  20  Al  4.002708279882  0.086503085453  3.989475841678  -0.128667732591  -0.354432663451  -0.046396567982  0.001086534669  0.004360293431  0.000319691972
  21  Al  3.998919546072  1.966022535494  5.993233081325  0.014125349190  0.160477992260  0.127752512113  0.001199043997  -0.001108840991  0.001520653030
  22  Al  5.970713290277  0.011072210767  5.984154868142  -0.000460786491  0.214707030826  0.075588850094  0.000111176604  0.001201511714  0.000852032511
  23  Al  6.032712650696  2.002982846525  3.962585473745  -0.227846748454  -0.026429756656  0.246333478446  0.003230412282  0.000707333207  -0.000520847028
  24  Al  3.997739991687  3.969710368469  0.088810627381  0.081497917616  -0.079272641579  -0.389056375089  0.001275367143  -0.000803234394  0.004476923284
  25  Al  3.950441036869  6.050966725889  2.067146186395  0.174061463108  -0.180665513426  -0.251497231966  -0.001440953774  0.004357867199  0.004007520271
  26  Al  5.925969167923  4.043294997593  1.935290347747  0.079866441548  -0.060616669412  0.211154080923  -0.002475067167  0.003702814668  -0.002901814622
  27  Al  5.936693346382  6.005303900031  0.073178709644  0.024416969764  -0.191667211949  -0.325273591240  -0.001851456311  0.001689634505  0.003773715785
  28  Al  3.996740981311  4.014853637071  4.040662023408  -0.044956298077  -0.030675216360  -0.260786111174  0.000908521535  0.001982773209  0.002848776071
  29  Al  3.912753855167  5.992928293991  6.079079187135  0.400983964184  -0.076913462526  -0.271017971529  -0.003061334682  0.001177594211  0.005643794997
  30  Al  5.989036721253  3.905745596152  5.988717909596  -0.068325299432  0.264854772576  -0.081813528630  0.001051600909  -0.003977329862  0.000882696698
  31  Al  6.036819405147  5.940479793566  3.972107203455  -0.243678401314  0.140140253920  -0.147628114555  0.003502007373  -0.001484703045  -0.000948811808


MDSTEP:  36
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.952207274473  0.000000000000  0.000000000000
  0.000031880461  7.953156462951  0.000000000000
  -0.000121692940  -0.000043831523  7.956974975738
VIRIAL (kbar)
  -36.729755439388  -0.219666698672  0.118408128828
  -0.219666698672  -37.116273580851  -1.274235903200
  0.118408128828  -1.274235903200  -31.272824603055
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.877672936424  7.930543265726  7.917922889838  0.307168224160  0.025744730112  -0.138081898714  -0.003641980884  -0.001232960357  -0.002560358032
  1  Al  7.918966163253  1.937278766037  1.918338528536  0.214564065375  0.177822314961  0.061783481374  -0.001417354207  -0.002564709472  -0.003953175557
  2  Al  1.944760362247  7.880771876930  1.952744338555  0.069471873249  0.214039434039  0.199828863895  -0.002284182609  -0.003867855963  -0.001668542767
  3  Al  1.940770186976  1.965214148057  7.939290011555  0.038608526048  -0.038477322700  -0.199409048860  -0.002596871780  -0.001391375777  -0.001542334634
  4  Al  0.015422798517  7.897520990377  4.086589782218  0.158878733159  0.109514822553  -0.462108947424  0.001247997405  -0.003014341331  0.005281228930
  5  Al  0.009816673271  1.986213534461  6.008812600818  -0.004378616699  -0.062214804896  -0.184959026744  0.000537002161  -0.000247098255  0.002002135348
  6  Al  1.966153790590  7.945972564863  5.952486278442  -0.026119639694  0.226861496895  0.123881770838  -0.001388985159  0.000164183602  -0.000651156334
  7  Al  1.981722161446  2.001990994680  4.023505406946  -0.067655890432  -0.114532253736  -0.009715060319  -0.000485284785  0.000527030723  0.002631327390
  8  Al  7.921399040101  4.042119901100  7.862341366147  0.032992486737  -0.206478213853  0.292004594220  -0.001706761562  0.003296421493  -0.004856486572
  9  Al  0.022656003281  5.955359640973  1.984180615516  -0.029812590417  -0.027687880551  0.105901073873  0.001273780215  -0.000583688488  -0.000018185470
  10  Al  2.029706960937  3.903670647312  1.981266032368  -0.197072937898  0.475062988629  0.237928968737  0.002035085103  -0.003057388639  0.000039894290
  11  Al  2.002659498503  5.988963338528  0.083568837228  -0.146845412431  -0.035386267610  -0.000762471274  0.000482153165  0.001358104024  0.004945695871
  12  Al  7.916492995702  4.002856640489  3.919951738689  0.332843945552  -0.078597417353  0.237513123248  -0.001354351256  0.001437849921  -0.002793675861
  13  Al  0.006125594252  5.939304428272  5.903640557864  -0.037976807143  0.018219011700  0.216973715905  0.000301220937  -0.001401790765  -0.003257129031
  14  Al  1.973306974465  3.945420839136  5.994187670027  -0.087620409324  -0.114126102502  -0.192271831966  -0.001101845566  -0.002123196860  0.001119660543
  15  Al  2.052780777256  5.973689789785  3.904805361489  -0.357757254132  -0.133595620382  0.130410879607  0.002942517540  0.000230833071  -0.004110631177
  16  Al  4.058160934386  0.088189606734  0.000276533492  -0.097663650032  -0.142900443160  0.204379593058  0.004513210994  0.004842145198  0.000499445305
  17  Al  3.883235987268  1.913437522956  1.977002501781  0.408242965311  0.186316697105  0.008442333573  -0.004452308382  -0.003903140277  -0.000721091611
  18  Al  6.024766174624  7.878456202577  1.903394131835  -0.332856480786  0.143428241561  0.280275518040  0.002725144502  -0.004127118241  -0.004416253772
  19  Al  5.987972459702  2.069470452038  7.850599897336  -0.228263483632  -0.389517207903  0.261582843072  0.000822414605  0.003881337350  -0.005738986153
  20  Al  3.999646614719  0.088586947250  3.986225824322  -0.129863175028  -0.366873420211  -0.045174428101  0.001064479938  0.004300050632  0.000311802599
  21  Al  3.995922999898  1.963715208109  5.988879748206  0.014059977055  0.167838870188  0.126470262208  0.001202749575  -0.001080555018  0.001544822173
  22  Al  5.965400008058  0.011667721116  5.979472634473  -0.006736499901  0.211908226662  0.075609980585  0.000110643037  0.001240850316  0.000866357803
  23  Al  6.028894496916  2.001543987640  3.958951218077  -0.237669946587  -0.026799976036  0.245523221119  0.003191957830  0.000703262987  -0.000477344852
  24  Al  3.994789153009  3.965761365252  0.090955938905  0.082697196050  -0.078382526084  -0.406036277481  0.001291317154  -0.000818103342  0.004410022367
  25  Al  3.946177730739  6.047734269876  2.067373044979  0.187990191635  -0.187314316900  -0.263997776222  -0.001409987430  0.004329240436  0.003965185198
  26  Al  5.919409152867  4.041532715773  1.932195694793  0.085679344094  -0.072335235833  0.222253121049  -0.002462705758  0.003694538203  -0.002865781005
  27  Al  5.930434265101  6.000779202111  0.074988605098  0.020736414725  -0.200288655776  -0.346856074081  -0.001849237996  0.001656248188  0.003717151053
  28  Al  3.993599772652  4.012256278125  4.038623299590  -0.043764124197  -0.032955742212  -0.265650513196  0.000901484586  0.001979036522  0.002804371857
  29  Al  3.907722100835  5.988158742851  6.076696365637  0.414439622440  -0.079906416777  -0.278708579727  -0.002991410342  0.001164745635  0.005599938122
  30  Al  5.984174559171  3.900277041131  5.984040078111  -0.076973538538  0.285927100961  -0.091416624698  0.001039644684  -0.003931958968  0.000868033466
  31  Al  6.033133044348  5.934437303904  3.968233220479  -0.259343108719  0.145685889109  -0.145614785591  0.003460466517  -0.001460596547  -0.000975932799


MDSTEP:  37
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.944964503021  0.000000000000  0.000000000000
  0.000032577845  7.945960678144  0.000000000000
  -0.000125822235  -0.000051051941  7.950101231220
VIRIAL (kbar)
  -34.124990127939  -0.227098387714  0.130457857589
  -0.227098387714  -34.532660514830  -1.330572348597
  0.130457857589  -1.330572348597  -28.426033851912
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.868687205690  7.922745355971  7.909796474484  0.320188908680  0.026200050817  -0.138357335428  -0.003589525833  -0.001229556448  -0.002587532789
  1  Al  7.911053698873  1.934249750624  1.914707428097  0.220380353319  0.184569799529  0.067158110085  -0.001379877784  -0.002534873070  -0.003945424689
  2  Al  1.941849738878  7.871715347889  1.950232052208  0.067033549430  0.233679090059  0.206707448701  -0.002274266070  -0.003831676887  -0.001633777575
  3  Al  1.937701736553  1.962731395479  7.931651432542  0.037827720669  -0.040126757770  -0.197153500003  -0.002592642961  -0.001399801933  -0.001579279546
  4  Al  0.016038422247  7.888869473437  4.085679611131  0.162146332592  0.118876584385  -0.482569377880  0.001277972491  -0.002996895666  0.005201787385
  5  Al  0.010073029849  1.984284651111  6.004614652685  -0.002591132299  -0.063964789659  -0.194300996386  0.000536920602  -0.000258621397  0.001970128946
  6  Al  1.963664904782  7.938870079627  5.947024081788  -0.022173286255  0.226200165333  0.130060618801  -0.001394699768  0.000204867995  -0.000629066145
  7  Al  1.979669596669  2.000434392868  4.021344934524  -0.072656353916  -0.117562758850  -0.016664577683  -0.000498318595  0.000506809459  0.002631485288
  8  Al  7.913328561216  4.040094590196  7.853134065821  0.037117531293  -0.212586788436  0.306561012165  -0.001702211909  0.003262204588  -0.004807595730
  9  Al  0.023270442080  5.949676499709  1.982462191790  -0.032406608020  -0.028749977606  0.105551521516  0.001269493821  -0.000589318880  0.000000709896
  10  Al  2.028866413708  3.898629373860  1.979585066689  -0.209650481904  0.482355627351  0.244985983893  0.002000750169  -0.002974803322  0.000083125382
  11  Al  2.001070531097  5.984222128750  0.085969570957  -0.150213447044  -0.039590187093  -0.014435487917  0.000456073089  0.001352776130  0.004949068000
  12  Al  7.908618693316  3.999946838682  3.915179144341  0.345167042579  -0.088049208476  0.242129499714  -0.001295070964  0.001424365792  -0.002753448283
  13  Al  0.006266331629  5.933225215465  5.896921671301  -0.038740870769  0.018551135026  0.228473503329  0.000294657516  -0.001399915711  -0.003220403339
  14  Al  1.970952015087  3.940778923321  5.989560771726  -0.086438448115  -0.109194300269  -0.199034839089  -0.001118517509  -0.002145284551  0.001085732415
  15  Al  2.052364935046  5.968390854956  3.899382558713  -0.370514554115  -0.137714734089  0.147666687607  0.002880325486  0.000206776942  -0.004089691910
  16  Al  4.056717163582  0.090524613081  0.000535160313  -0.105219930216  -0.155644234480  0.205991529770  0.004499592553  0.004820275483  0.000536627570
  17  Al  3.877490290728  1.909761161776  1.974934455495  0.420207378270  0.193535895682  0.011852950812  -0.004382676221  -0.003873062204  -0.000719966214
  18  Al  6.020626359479  7.869269019227  1.899554154027  -0.337864842612  0.160041044886  0.295865627356  0.002667883474  -0.004104112985  -0.004368947458
  19  Al  5.982915720148  2.069514239991  7.840960111018  -0.228554761499  -0.406249093777  0.285273404300  0.000782370615  0.003814006172  -0.005695564578
  20  Al  3.996528131778  0.090636890538  3.982936157143  -0.134561255665  -0.379199358149  -0.043048814334  0.001041895527  0.004237610424  0.000304210024
  21  Al  3.992882581574  1.961400229748  5.984484267170  0.009842194583  0.174192733739  0.124573343584  0.001206097330  -0.001051033051  0.001568753946
  22  Al  5.960018633765  0.012281630742  5.974743759904  -0.008375251494  0.208742204382  0.075276207207  0.000109403039  0.001279717023  0.000880682210
  23  Al  6.024986960067  2.000079886153  3.955303509324  -0.242028175138  -0.028318365194  0.244658922376  0.003152254409  0.000699032456  -0.000433958601
  24  Al  3.991800446180  3.961760608571  0.093064334536  0.079702864691  -0.077062347846  -0.424066870443  0.001307145408  -0.000832802480  0.004339995197
  25  Al  3.941886425930  6.044416922303  2.067558002622  0.198450402457  -0.192894595365  -0.276877758542  -0.001376834361  0.004299570814  0.003920601584
  26  Al  5.912789586660  4.039718409594  1.929103515378  0.096808287277  -0.084749408842  0.233997198888  -0.002448860773  0.003684160412  -0.002827714665
  27  Al  5.924109673741  5.996169019440  0.076766987181  0.021680310241  -0.207621689805  -0.369403127392  -0.001847295828  0.001621432876  0.003656643465
  28  Al  3.990409473784  4.009610513655  4.036524858235  -0.046500308129  -0.035527808344  -0.269529667075  0.000894318673  0.001974898638  0.002759187117
  29  Al  3.902683049982  5.983314120741  6.074234569245  0.423333981838  -0.082018366131  -0.286463137181  -0.002919471675  0.001151450808  0.005554745348
  30  Al  5.979237822204  3.894789431267  5.979300632958  -0.081195833726  0.307258347208  -0.101781771217  0.001026543870  -0.003882820857  0.000851583830
  31  Al  6.029355293543  5.928340553729  3.964310711900  -0.270201317006  0.152622091783  -0.143096309534  0.003416574414  -0.001435376569  -0.001002689384


MDSTEP:  38
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.937640244733  0.000000000000  0.000000000000
  0.000033202812  7.938683820769  0.000000000000
  -0.000129745005  -0.000058922988  7.943165552958
VIRIAL (kbar)
  -31.454687916846  -0.230457701499  0.145721796232
  -0.230457701499  -31.889298318007  -1.382485366588
  0.145721796232  -1.382485366588  -25.519771380282
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.859649355918  7.914868241340  7.901595947377  0.331136688363  0.026662989895  -0.138122702636  -0.003534935928  -0.001226089454  -0.002614775612
  1  Al  7.903079762387  1.931217215295  1.911067227862  0.223888674587  0.192343049792  0.071858806233  -0.001341553149  -0.002503753253  -0.003936823455
  2  Al  1.938925062703  7.862599049403  1.947722974764  0.068007317814  0.254721907335  0.213391090842  -0.002264509928  -0.003791889232  -0.001597789951
  3  Al  1.934616857363  1.960224310567  7.923933363116  0.040560544900  -0.041132889461  -0.193176243555  -0.002588280183  -0.001408499118  -0.001615725924
  4  Al  0.016668474540  7.880147627171  4.084694717288  0.163319763339  0.128385256304  -0.503488155146  0.001308396700  -0.002977794460  0.005118645005
  5  Al  0.010329214857  1.982329303555  6.000352650048  -0.003217284882  -0.065008295494  -0.202977861601  0.000536951959  -0.000270409773  0.001936509129
  6  Al  1.961153911472  7.931706337640  5.941527153386  -0.014327998757  0.224402069462  0.136590572210  -0.001399389558  0.000245376724  -0.000605827239
  7  Al  1.977590295150  1.998846570599  4.019151769847  -0.073684150590  -0.120103126736  -0.025105900674  -0.000511913568  0.000486079441  0.002630305604
  8  Al  7.905180320847  4.038008555447  7.843892764952  0.038608020608  -0.218809539422  0.321936452118  -0.001697184312  0.003226904748  -0.004756051568
  9  Al  0.023881802734  5.943929893346  1.980737760315  -0.037254602703  -0.030647319328  0.104340297384  0.001264559429  -0.000595229721  0.000019483890
  10  Al  2.027986426431  3.893591141506  1.977910584908  -0.218672728250  0.488442894079  0.251434029396  0.001964483018  -0.002890989221  0.000127607312
  11  Al  1.999447582352  5.979416389778  0.088368579644  -0.150040581215  -0.044567912300  -0.029291935920  0.000429688468  0.001346647121  0.004949964721
  12  Al  7.900694136317  3.996988095478  3.910397564839  0.355010413671  -0.097646548803  0.246277506319  -0.001233770107  0.001409187842  -0.002712438676
  13  Al  0.006403652676  5.927086568539  5.890177118171  -0.041894826972  0.018098558513  0.240801902904  0.000287742300  -0.001398074910  -0.003181558544
  14  Al  1.968569179849  3.936086447539  5.984869470961  -0.081359941116  -0.103139906668  -0.205387737739  -0.001134665944  -0.002166448538  0.001050614489
  15  Al  2.051895100973  5.963018395430  3.893942385448  -0.379380530203  -0.142199066166  0.165899574492  0.002816186584  0.000181928984  -0.004065618650
  16  Al  4.055222591237  0.092845011469  0.000812223924  -0.111200171584  -0.168685791677  0.207542871885  0.004484827746  0.004796161003  0.000574136541
  17  Al  3.871742216960  1.906082269986  1.972852049287  0.434440628655  0.201849088708  0.015118997600  -0.004310706380  -0.003841631720  -0.000718253187
  18  Al  6.016394692896  7.860015493982  1.895725620589  -0.346225901357  0.177991307603  0.311282705293  0.002609415009  -0.004078065573  -0.004318886692
  19  Al  5.977777402550  2.069500122142  7.831284473700  -0.231832544834  -0.422196208709  0.310830010051  0.000741981038  0.003743747861  -0.005647780456
  20  Al  3.993356780020  0.092651884777  3.979611627594  -0.137435150383  -0.391688737332  -0.040886446487  0.001018629219  0.004172961011  0.000296998150
  21  Al  3.989802285338  1.959080274915  5.980053376454  0.007609296393  0.181333604174  0.122597833099  0.001208892255  -0.001020291686  0.001592385600
  22  Al  5.954575541781  0.012913649624  5.969975111716  -0.013778253067  0.204293122399  0.075119994717  0.000107533836  0.001317964250  0.000894989609
  23  Al  6.020996224847  1.998592554632  3.951646839198  -0.250230474828  -0.029081494572  0.242547752370  0.003111442042  0.000694605689  -0.000390803064
  24  Al  3.988777953683  3.957712502217  0.095134300231  0.078686396875  -0.075784701124  -0.441977310376  0.001322653177  -0.000847296899  0.004266749945
  25  Al  3.937572366729  6.041020701802  2.067702287057  0.211485155381  -0.199290814011  -0.290058399274  -0.001341570174  0.004268875772  0.003873701956
  26  Al  5.906117925946  4.037855321148  1.926017092401  0.104947033814  -0.098379188193  0.245318148224  -0.002433320385  0.003671505238  -0.002787590389
  27  Al  5.917726121473  5.991479174776  0.078511920703  0.019367755938  -0.216218225366  -0.393195386723  -0.001845506343  0.001585186967  0.003591986831
  28  Al  3.987174201659  4.006920431749  4.034371006528  -0.047015845155  -0.038214081344  -0.273650022188  0.000886870001  0.001970321310  0.002713284065
  29  Al  3.897641783117  5.978400686835  6.071700107136  0.434769358020  -0.084667823224  -0.294223459233  -0.002845692719  0.001137738766  0.005508203349
  30  Al  5.974232669743  3.889288878931  5.974505548480  -0.089033040058  0.330187730181  -0.111886204268  0.001012368634  -0.003829741146  0.000833300056
  31  Al  6.025491758224  5.922196566106  3.960344479783  -0.285253022403  0.158750091483  -0.139460779318  0.003370379499  -0.001408988024  -0.001028936143


MDSTEP:  39
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.930243306303  0.000000000000  0.000000000000
  0.000033753892  7.931334604138  0.000000000000
  -0.000133432184  -0.000067466827  7.936177226512
VIRIAL (kbar)
  -28.728859151912  -0.235641648164  0.159787488907
  -0.235641648164  -29.183292539216  -1.434514086607
  0.159787488907  -1.434514086607  -22.552732856183
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.850569123125  7.906920630513  7.893330566943  0.345872119438  0.026922127836  -0.137275563303  -0.003478051127  -0.001222575921  -0.002641984863
  1  Al  7.895053446965  1.928183975137  1.907420585297  0.230820915590  0.199267182541  0.078523953893  -0.001302277287  -0.002471330101  -0.003927252201
  2  Al  1.935988582495  7.853433496163  1.945219983532  0.063688964515  0.276472808592  0.220974952212  -0.002255080503  -0.003748296390  -0.001560513300
  3  Al  1.931517974120  1.957694934784  7.916145421240  0.038502588222  -0.042753549012  -0.189044864834  -0.002583895484  -0.001417464370  -0.001651505271
  4  Al  0.017313091192  7.871364946523  4.083637997855  0.167365814074  0.138985614920  -0.525290863706  0.001339340160  -0.002956922461  0.005031671622
  5  Al  0.010585204396  1.980349557691  5.996032828584  -0.000116718464  -0.066617758415  -0.213535695456  0.000537213388  -0.000282451298  0.001901163052
  6  Al  1.958623710720  7.924489868811  5.936003024231  -0.010712048234  0.222418722828  0.142545610703  -0.001403082164  0.000285592585  -0.000581457357
  7  Al  1.975486373811  1.997229481860  4.016929854750  -0.080316467664  -0.123024131150  -0.033703033786  -0.000526216359  0.000464848924  0.002627637533
  8  Al  7.896963254651  4.035865642269  7.834628013496  0.044557222954  -0.225006895616  0.337815852247  -0.001691513664  0.003190509389  -0.004701727873
  9  Al  0.024489681791  5.938126171551  1.979009529209  -0.038891611258  -0.031654038600  0.103805313100  0.001259060879  -0.000601416101  0.000038120339
  10  Al  2.027068443417  3.888560772294  1.976245477769  -0.233271457038  0.494391062938  0.258815555758  0.001926098212  -0.002806060356  0.000173371514
  11  Al  1.997792883092  5.974552237029  0.090764635006  -0.154294310988  -0.049260776780  -0.044740608137  0.000402918499  0.001339671337  0.004948220876
  12  Al  7.892728989550  3.993983925264  3.905611946204  0.368937648169  -0.108308466747  0.250093488453  -0.001170300113  0.001392204576  -0.002670714508
  13  Al  0.006537302188  5.920894938485  5.883414890402  -0.041113107156  0.018536532607  0.252599933096  0.000280612774  -0.001396257863  -0.003140562236
  14  Al  1.966161129461  3.931348259700  5.980120193621  -0.080706224061  -0.096751207727  -0.212789465245  -0.001150337323  -0.002186556755  0.001014246616
  15  Al  2.051372763538  5.957578542247  3.888491027766  -0.393678380575  -0.146454058387  0.184841125048  0.002749956832  0.000156275234  -0.004038253622
  16  Al  4.053681172576  0.095149727683  0.001107865424  -0.120900936024  -0.182826680935  0.208601643805  0.004468719793  0.004769670284  0.000611923693
  17  Al  3.865997352843  1.902403686177  1.970757881990  0.444714658348  0.209443611603  0.019709114216  -0.004236542043  -0.003808810047  -0.000715845836
  18  Al  6.012077099989  7.850705861880  1.891912131416  -0.348841922686  0.196533535403  0.328383933042  0.002549947982  -0.004048796523  -0.004265928729
  19  Al  5.972563871203  2.069428911133  7.821584431230  -0.229650206417  -0.439493213270  0.337174954940  0.000701464899  0.003670503778  -0.005595386225
  20  Al  3.990136744633  0.094630892861  3.976257080588  -0.143454305617  -0.403889200643  -0.038337789949  0.000994560609  0.004106106161  0.000290204739
  21  Al  3.986686357591  1.956758119359  5.975593890184  0.001274901794  0.187694511871  0.119033964314  0.001210943658  -0.000988327228  0.001615567163
  22  Al  5.949076877253  0.013563377139  5.965173654924  -0.014368368972  0.199584351860  0.073775888124  0.000105128432  0.001355453760  0.000909189317
  23  Al  6.016928244295  1.997084105956  3.947985640852  -0.252631800855  -0.030769912307  0.239975236583  0.003069690958  0.000689966657  -0.000348029683
  24  Al  3.985726007881  3.953621505361  0.097164339394  0.073327717018  -0.073533433938  -0.460256821901  0.001337628179  -0.000861503009  0.004190255677
  25  Al  3.933241097950  6.037551652031  2.067807132040  0.221202110573  -0.205022659559  -0.303389347452  -0.001304257038  0.004237136599  0.003824439265
  26  Al  5.899401462975  4.035946650495  1.922939693408  0.118450529159  -0.112455351132  0.258140999824  -0.002415868129  0.003656418639  -0.002745306289
  27  Al  5.911289969973  5.986715471000  0.080221364703  0.021599739055  -0.223664790740  -0.417011843143  -0.001843753104  0.001547496453  0.003523058825
  28  Al  3.983898345873  4.004190175224  4.032166088108  -0.051476255427  -0.041316893157  -0.277367851982  0.000878983135  0.001965255045  0.002666672928
  29  Al  3.892603677290  5.973424746931  6.069099377183  0.441622597502  -0.086751873834  -0.302320439533  -0.002770249600  0.001123610333  0.005460274425
  30  Al  5.969165047951  3.883781696218  5.969660904051  -0.092330582819  0.353217238169  -0.123633448369  0.000997199357  -0.003772559377  0.000813055544
  31  Al  6.021547782540  5.916012381744  3.956339478203  -0.295182822154  0.166087590778  -0.136113882562  0.003321958429  -0.001381391952  -0.001054598427


MDSTEP:  40
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.922782598297  0.000000000000  0.000000000000
  0.000034228727  7.923921864000  0.000000000000
  -0.000136856570  -0.000076705157  7.929145641862
VIRIAL (kbar)
  -25.941204964765  -0.237636279945  0.178863349068
  -0.237636279945  -26.421928323174  -1.484813803009
  0.178863349068  -1.484813803009  -19.533238655393
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.841456677725  7.898911334904  7.885009746618  0.355100349515  0.027768027218  -0.136619231437  -0.003419018408  -0.001218980610  -0.002669121419
  1  Al  7.886984253017  1.925152796142  1.903770353375  0.232246706642  0.207239781422  0.083828734557  -0.001262233206  -0.002437581633  -0.003916652526
  2  Al  1.933042095030  7.844229382971  1.942726059929  0.065164874051  0.299798176600  0.228070739866  -0.002245931250  -0.003700686113  -0.001521907210
  3  Al  1.928407103162  1.955145283502  7.908297340562  0.042169807289  -0.043662463247  -0.183995333463  -0.002579403201  -0.001426688587  -0.001686520683
  4  Al  0.017972664968  7.862531142108  4.082512331113  0.166258374831  0.149777075336  -0.546599333502  0.001370599384  -0.002934160297  0.004940822174
  5  Al  0.010841306948  1.978347459351  5.991661337110  -0.002757180154  -0.067362573272  -0.222908445840  0.000537524552  -0.000294719717  0.001864024271
  6  Al  1.956076846110  7.917229309548  5.930459251347  -0.000832203669  0.219579392549  0.149041390377  -0.001405593652  0.000325423271  -0.000555957303
  7  Al  1.973359472518  1.995585078230  4.014683173446  -0.080366424407  -0.125513604424  -0.042963524804  -0.000541140347  0.000443120940  0.002623404157
  8  Al  7.888686795897  4.033669765087  7.825350503472  0.044634323293  -0.231823664567  0.353472399681  -0.001685324252  0.003152960735  -0.004644591494
  9  Al  0.025093963634  5.932271854617  1.977279793164  -0.045843624637  -0.033547274064  0.102306584723  0.001252808280  -0.000607877685  0.000056593875
  10  Al  2.026113438432  3.883543132542  1.974592745858  -0.241835552832  0.498776670124  0.265238641176  0.001885631854  -0.002720162917  0.000220418140
  11  Al  1.996108294364  5.969635905285  0.093156463526  -0.152709679170  -0.054678953238  -0.062122449478  0.000375887841  0.001331807368  0.004943603965
  12  Al  7.884733383616  3.990937810811  3.900827252689  0.376725508920  -0.119130211291  0.254344854049  -0.001104839627  0.001373303049  -0.002628262537
  13  Al  0.006667375190  5.914656945882  5.876643005879  -0.045814437171  0.017914862035  0.265376134084  0.000273129889  -0.001394478648  -0.003097368592
  14  Al  1.963730151503  3.926569295887  5.975319351742  -0.073957376605  -0.089629058463  -0.219294313657  -0.001165381424  -0.002205511703  0.000976612159
  15  Al  2.050798954298  5.952077539284  3.883034781045  -0.401452013664  -0.150880860410  0.205439535950  0.002681727607  0.000129819035  -0.004007378008
  16  Al  4.052096588956  0.097437596637  0.001422182795  -0.125788695410  -0.196792451992  0.208775513841  0.004451361205  0.004740713925  0.000649866642
  17  Al  3.860260975994  1.898728209429  1.968654695819  0.460649979201  0.218012617212  0.023854708711  -0.004160023141  -0.003774569039  -0.000712664165
  18  Al  6.007680100069  7.841350527227  1.888117456366  -0.357437705547  0.216786404034  0.344813995006  0.002489456565  -0.004016092663  -0.004209975227
  19  Al  5.967282055557  2.069301335794  7.811871595654  -0.232833587375  -0.455971128569  0.364500560553  0.000660828716  0.003594218296  -0.005538213184
  20  Al  3.986871982161  0.096572910268  3.972877448288  -0.144455049491  -0.415976753210  -0.035033803415  0.000969854892  0.004037074378  0.000283931893
  21  Al  3.983538730181  1.954436498496  5.971112561309  0.000209856620  0.194879489930  0.115651890227  0.001212354389  -0.000955132663  0.001638171723
  22  Al  5.943529292227  0.014230391724  5.960346328082  -0.021258142000  0.194053899987  0.072966505090  0.000102053126  0.001392088317  0.000923222468
  23  Al  6.012789571571  1.995556602215  3.944324357736  -0.261668806210  -0.031480574608  0.237120596308  0.003026921892  0.000685119211  -0.000305703878
  24  Al  3.982648606387  3.949492224149  0.099152929034  0.073197433734  -0.071958986646  -0.479331129531  0.001352148604  -0.000875393829  0.004110399622
  25  Al  3.928897916617  6.034015974669  2.067873790030  0.236668386479  -0.211358857055  -0.316808074623  -0.001264673177  0.004204353476  0.003772785463
  26  Al  5.892648042974  4.033995624730  1.919874742013  0.126851963436  -0.128105431434  0.270400921915  -0.002396476151  0.003638714262  -0.002700772887
  27  Al  5.904808061566  5.981883908065  0.081893281507  0.018288940508  -0.232275793797  -0.442938246996  -0.001842124054  0.001508356162  0.003449659628
  28  Al  3.980585995241  4.001423914166  4.029914539115  -0.050186324621  -0.044817308250  -0.280450722053  0.000870818192  0.001959624919  0.002619442381
  29  Al  3.887573745393  5.968392751341  6.066438834197  0.454404660899  -0.089279515656  -0.310353033522  -0.002693015670  0.001109074730  0.005410927158
  30  Al  5.964041386405  3.878274259920  5.964772711684  -0.101501482451  0.377412011877  -0.134948271315  0.000980914477  -0.003711153544  0.000790738891
  31  Al  6.017529249934  5.909795239348  3.952300686050  -0.311872880004  0.172247055869  -0.130837792478  0.003271158335  -0.001352582425  -0.001079528782


MDSTEP:  41
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.915267146838  0.000000000000  0.000000000000
  0.000034626884  7.916454530711  0.000000000000
  -0.000139985875  -0.000086658193  7.922080262778
VIRIAL (kbar)
  -23.099047350921  -0.240352943178  0.195608553183
  -0.240352943178  -23.604990844760  -1.532205063190
  0.195608553183  -1.532205063190  -16.460205903548
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.832321814884  7.890849312585  7.876642952442  0.368893206231  0.027323188087  -0.134792858447  -0.003357915412  -0.001215365471  -0.002696096186
  1  Al  7.878881303867  1.922126558336  1.900119275899  0.237726460295  0.214844620102  0.090140681651  -0.001221547787  -0.002402442789  -0.003905051582
  2  Al  1.930087943500  7.834997634914  1.940244157921  0.062709657207  0.322900334166  0.235193570466  -0.002236893851  -0.003648929128  -0.001482009369
  3  Al  1.925286802971  1.952577458651  7.900399008045  0.042583489369  -0.044689327487  -0.177927897433  -0.002574580072  -0.001436118233  -0.001720597785
  4  Al  0.018647134563  7.853656032581  4.081320683810  0.168898216169  0.160538490099  -0.569116845474  0.001402048849  -0.002909488777  0.004846022541
  5  Al  0.011097322938  1.976325155988  5.987244488496  -0.000838707957  -0.068255039265  -0.233179894072  0.000537779366  -0.000307151324  0.001825114156
  6  Al  1.953516453696  7.909933315850  5.924903494660  0.005973097244  0.215302116967  0.155680756770  -0.001406636533  0.000364664226  -0.000529263634
  7  Al  1.971211850680  1.993915374961  4.012415691693  -0.084518666688  -0.127835816850  -0.053134682956  -0.000556464451  0.000420947552  0.002617460915
  8  Al  7.880359971787  4.031424836551  7.816070973765  0.049588064757  -0.237510915233  0.370350842258  -0.001678703091  0.003114299744  -0.004584545061
  9  Al  0.025694062149  5.926373453974  1.975550779237  -0.048809983512  -0.035118238892  0.100532945980  0.001245680804  -0.000614664976  0.000074793980
  10  Al  2.025122958785  3.878542992302  1.972955322954  -0.254387752325  0.503806071759  0.271666321733  0.001843262146  -0.002633373356  0.000268664197
  11  Al  1.994396230224  5.964673637451  0.095542626323  -0.154231389997  -0.060345639006  -0.079693739990  0.000348839409  0.001322966013  0.004935917182
  12  Al  7.876717017504  3.987853270635  3.896048520339  0.389292730829  -0.129921322043  0.257572345474  -0.001037505313  0.001352468114  -0.002585131468
  13  Al  0.006793482155  5.908379186502  5.869869620634  -0.045912172648  0.017818696307  0.278412006659  0.000265214202  -0.001392784004  -0.003051861099
  14  Al  1.961279110378  3.921754602913  5.970473494313  -0.070153874274  -0.080988776822  -0.226022641043  -0.001179515468  -0.002223109796  0.000937768327
  15  Al  2.050175325205  5.946521686937  3.877580119717  -0.413202819498  -0.155535801875  0.226233843739  0.002611720551  0.000102522845  -0.003972818573
  16  Al  4.050473016852  0.099707476043  0.001755195931  -0.135202768431  -0.212567369161  0.209185683848  0.004432772464  0.004709138884  0.000687907994
  17  Al  3.854538922990  1.895058744216  1.966545210643  0.471949849577  0.226577666149  0.028313660794  -0.004081049956  -0.003738816588  -0.000708718481
  18  Al  6.003209771703  7.831960136276  1.884345317434  -0.361547174561  0.236784013545  0.361944034766  0.002427802400  -0.003979816265  -0.004151015794
  19  Al  5.961938498709  2.069118228738  7.802157732230  -0.232045889430  -0.472933591269  0.393526394924  0.000619945905  0.003514913160  -0.005476010852
  20  Al  3.983566959703  0.098476949468  3.969477767753  -0.149564623213  -0.428780865415  -0.031965370839  0.000944591259  0.003965804298  0.000278226233
  21  Al  3.980363869991  1.952118244762  5.966616216868  -0.005839638255  0.201905374232  0.111714560943  0.001213148384  -0.000920645451  0.001660164576
  22  Al  5.937938966176  0.014914201476  5.955500174302  -0.024537700842  0.186928756459  0.071789587035  0.000098066469  0.001427651049  0.000937103473
  23  Al  6.008586261155  1.994012218358  3.940667444465  -0.266186685140  -0.032596480189  0.232848603554  0.002982940872  0.000680113726  -0.000263976760
  24  Al  3.979550275111  3.945329250229  0.101098481246  0.068025004588  -0.068581467878  -0.497974851810  0.001366230051  -0.000888868121  0.004027140483
  25  Al  3.924548692371  6.030419895124  2.067903529762  0.248026006679  -0.217799067554  -0.331118107325  -0.001222667309  0.004170457862  0.003718646226
  26  Al  5.885865140215  4.032005383321  1.916825625925  0.139080315336  -0.143310092786  0.283037713618  -0.002375254064  0.003618285244  -0.002654001258
  27  Al  5.898286828284  5.976990455054  0.083525449844  0.018231806678  -0.240603586727  -0.468511403198  -0.001840822698  0.001467683388  0.003371622980
  28  Al  3.977241815384  3.998625834141  4.027620893370  -0.053725866398  -0.047677756892  -0.283884944192  0.000862456329  0.001953450413  0.002571613848
  29  Al  3.882557589100  5.963311184505  6.063725002378  0.461948224955  -0.091862255364  -0.317914174625  -0.002613922937  0.001094085689  0.005360202443
  30  Al  5.958867682559  3.872773093932  5.959847078468  -0.107457927880  0.403079027070  -0.146736809145  0.000963273747  -0.003645278716  0.000766343122
  31  Al  6.013441535291  5.903552341957  3.948233289956  -0.324762488864  0.179105055765  -0.126169333662  0.003217707975  -0.001322599213  -0.001103608052


MDSTEP:  42
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.907706065783  0.000000000000  0.000000000000
  0.000034947655  7.908941623284  0.000000000000
  -0.000142790981  -0.000097344032  7.914990623736
VIRIAL (kbar)
  -20.202629038914  -0.241464880505  0.215842599981
  -0.241464880505  -20.735670311388  -1.579372745588
  0.215842599981  -1.579372745588  -13.339632736331
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.823174817047  7.882743495101  7.868239821528  0.379801336500  0.027785576915  -0.133091654833  -0.003294585323  -0.001211763853  -0.002722814041
  1  Al  7.870754170273  1.919108127902  1.896470198368  0.240196208986  0.222959783461  0.096196688197  -0.001180124808  -0.002365896578  -0.003892377756
  2  Al  1.927128137049  7.825749240959  1.937777249379  0.062358729780  0.347969458193  0.242454111682  -0.002228129899  -0.003592860833  -0.001440801579
  3  Al  1.922159355892  1.949993573659  7.892460469702  0.045128327215  -0.045601169346  -0.171209964537  -0.002569524067  -0.001445753073  -0.001753585850
  4  Al  0.019336773943  7.844749519264  4.080065957160  0.168740170043  0.172326268318  -0.591383020357  0.001433773550  -0.002882813956  0.004747176884
  5  Al  0.011353458733  1.974284805130  5.982788570986  -0.001994963121  -0.068810043014  -0.243204374202  0.000538110124  -0.000319729485  0.001784370216
  6  Al  1.950945411890  7.902610505887  5.919343479250  0.015555676137  0.210884053671  0.162261561208  -0.001406234812  0.000403174540  -0.000501366465
  7  Al  1.969045420338  1.992222426137  4.010131333156  -0.086202395831  -0.130207267370  -0.063698738763  -0.000572335308  0.000398337894  0.002609687242
  8  Al  7.871992327382  4.029134921478  7.806800336298  0.051423738590  -0.244153705406  0.387135765900  -0.001671490943  0.003074537397  -0.004521479575
  9  Al  0.026289748412  5.920437575921  1.973824707695  -0.054733084490  -0.036977734720  0.098337622297  0.001237768412  -0.000621775041  0.000092658451
  10  Al  2.024098219009  3.873565219968  1.971336161475  -0.264869921964  0.506913768726  0.277791867025  0.001798812854  -0.002545800469  0.000318085243
  11  Al  1.992658849275  5.959671722709  0.097921675063  -0.153493899569  -0.066177499078  -0.099001763322  0.000321696293  0.001313108043  0.004924981001
  12  Al  7.868690101979  3.984733873317  3.891280725062  0.398623170591  -0.141678833867  0.261160372196  -0.000968154393  0.001329612423  -0.002541376828
  13  Al  0.006915642943  5.902068369011  5.863102962378  -0.048911359560  0.017287389100  0.291867991887  0.000257017093  -0.001391164854  -0.003003973066
  14  Al  1.958810624839  3.916909405917  5.965589204712  -0.063972607695  -0.072251149209  -0.232696697090  -0.001192788807  -0.002239204034  0.000897697067
  15  Al  2.049503196807  5.940917332865  3.872133565172  -0.422434810449  -0.159919901428  0.248707058510  0.002539799328  0.000074388707  -0.003934399882
  16  Al  4.048814278756  0.101958068981  0.002106946964  -0.142404722114  -0.227872349709  0.208651337522  0.004412741408  0.004674818269  0.000725984877
  17  Al  3.848836652793  1.891398211665  1.964432190975  0.486022446801  0.235518347522  0.032986573657  -0.003999781097  -0.003701514057  -0.000703960182
  18  Al  5.998672663041  7.822545395743  1.880599510652  -0.367586509515  0.258737124546  0.379192193496  0.002365209309  -0.003939807455  -0.004088969461
  19  Al  5.956540162357  2.068880408785  7.792454820791  -0.232760608902  -0.489720087859  0.423247916151  0.000579035381  0.003432552663  -0.005408553948
  20  Al  3.980225820757  0.100341965948  3.966063090806  -0.152231830355  -0.440942738489  -0.028021668470  0.000918618595  0.003892281888  0.000273145190
  21  Al  3.977165841544  1.949806198784  5.962111689861  -0.009320342455  0.209102087164  0.107314792407  0.001213108018  -0.000884861433  0.001681453280
  22  Al  5.932312464829  0.015614175597  5.950642258339  -0.030288500378  0.179562313648  0.070462416156  0.000093269166  0.001461976638  0.000950785452
  23  Al  6.004324840268  1.992453117372  3.937019263873  -0.273046328128  -0.033387772028  0.228261444048  0.002937937838  0.000674942211  -0.000223002673
  24  Al  3.976435134960  3.941137379450  0.102999452587  0.065481728781  -0.066083822305  -0.517366430754  0.001379655597  -0.000901842671  0.003940441192
  25  Al  3.920198968629  6.026769702921  2.067897563551  0.262466980483  -0.224182941252  -0.345265548807  -0.001178326428  0.004135440245  0.003661949570
  26  Al  5.879060632421  4.029979155794  1.913795780282  0.149896337827  -0.160483038151  0.295721134878  -0.002351981523  0.003594989259  -0.002604948000
  27  Al  5.891733055711  5.972041175043  0.085115684883  0.016418467728  -0.249405918411  -0.495795902494  -0.001839714069  0.001425457047  0.003288818124
  28  Al  3.973870083627  3.995800226296  4.025289692571  -0.054308782486  -0.051514248873  -0.286615093264  0.000853728912  0.001946699264  0.002523215055
  29  Al  3.877560379011  5.958186595712  6.060964509344  0.472427484466  -0.094342561877  -0.325956603443  -0.002533171145  0.001078645733  0.005308092485
  30  Al  5.953650285932  3.867284894338  5.954890123186  -0.115597209553  0.429088484824  -0.158649977372  0.000944366753  -0.003574763236  0.000739811410
  31  Al  6.009290422113  5.897291020620  3.944142455899  -0.340382927364  0.185578126302  -0.119793409510  0.003161696235  -0.001291411193  -0.001126736705


MDSTEP:  43
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.900108549667  0.000000000000  0.000000000000
  0.000035191343  7.901392233760  0.000000000000
  -0.000145239565  -0.000108780186  7.907886306560
VIRIAL (kbar)
  -17.256476040488  -0.242052026331  0.236668485260
  -0.242052026331  -17.815792529227  -1.621029774962
  0.236668485260  -1.621029774962  -10.170939146460
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.814025788678  7.874602966857  7.859810022939  0.394705456179  0.027431031130  -0.130520929369  -0.003228922059  -0.001208166771  -0.002749206582
  1  Al  7.862612233813  1.916100431552  1.892825949413  0.246076803424  0.229477431185  0.104103508917  -0.001137925522  -0.002328036006  -0.003878483910
  2  Al  1.924164891391  7.816495433992  1.935328328331  0.058083324778  0.373409064235  0.250537154035  -0.002219800592  -0.003532263271  -0.001398194529
  3  Al  1.919027254414  1.947395768834  7.884491874363  0.044356977367  -0.048077618123  -0.163648488320  -0.002564338862  -0.001455722258  -0.001785349483
  4  Al  0.020041611857  7.835821664310  4.078751105199  0.171448574118  0.184646410077  -0.614705270421  0.001465779724  -0.002853991466  0.004644203060
  5  Al  0.011609649344  1.972228612655  5.978299932889  0.000314186909  -0.070641194303  -0.254947109111  0.000538551451  -0.000332538478  0.001741656628
  6  Al  1.948366868893  7.895269559297  5.913786959871  0.022194755173  0.205514852956  0.168367993370  -0.001404400737  0.000440856584  -0.000472311200
  7  Al  1.966862335326  1.990508300557  4.007834013874  -0.091864808352  -0.133673746301  -0.075154213650  -0.000588888653  0.000375188225  0.002599964134
  8  Al  7.863593210774  4.026804040964  7.797549535476  0.057368995062  -0.250131984044  0.404695437631  -0.001663597005  0.003033643139  -0.004455325983
  9  Al  0.026880532584  5.914470854909  1.972103773113  -0.057327542272  -0.037264269700  0.096714578102  0.001229102373  -0.000629093069  0.000110200749
  10  Al  2.023040642790  3.868614545020  1.969738199373  -0.279376565870  0.510109941055  0.284994872431  0.001752104306  -0.002457602997  0.000368752700
  11  Al  1.990898533563  5.954636492175  0.100292013396  -0.155997398151  -0.070745829135  -0.118737612703  0.000294369508  0.001302329404  0.004910594319
  12  Al  7.860662639853  3.981583139717  3.886528894958  0.411956891585  -0.153839492261  0.264113887458  -0.000896713420  0.001304609696  -0.002497019467
  13  Al  0.007033621518  5.895731216262  5.856351327608  -0.048223797620  0.018459049488  0.304872281252  0.000248608104  -0.001389506792  -0.002953701403
  14  Al  1.956327547507  3.912038972383  5.960673107851  -0.060740192341  -0.062473537820  -0.240530732274  -0.001205251092  -0.002253689930  0.000856296598
  15  Al  2.048784141128  5.935270904049  3.866701806952  -0.435465752503  -0.163390886812  0.271459836391  0.002465843474  0.000045520786  -0.003891938806
  16  Al  4.047124442034  0.104188127461  0.002477394806  -0.153436312571  -0.244647673583  0.207962389058  0.004391117941  0.004637655314  0.000763999303
  17  Al  3.843159907572  1.887749579371  1.962318431287  0.496091516786  0.243013036674  0.038935676462  -0.003916318894  -0.003662751771  -0.000698254481
  18  Al  5.994075215578  7.813117254651  1.876883848609  -0.369306395100  0.280995790211  0.397992075752  0.002301886530  -0.003895855937  -0.004023679046
  19  Al  5.951093938705  2.068588734311  7.782774943024  -0.229393081747  -0.508362720277  0.454195934377  0.000538326327  0.003346978430  -0.005335659327
  20  Al  3.976852970495  0.102166978645  3.962638571638  -0.157983989355  -0.453379312311  -0.023970218961  0.000891877229  0.003816532688  0.000268776997
  21  Al  3.973948983838  1.947503233942  5.957605810030  -0.016785024072  0.214690614006  0.101235944202  0.001212104882  -0.000847906087  0.001701844714
  22  Al  5.926656195987  0.016329664315  5.945779668496  -0.032638112617  0.171160404447  0.067770328260  0.000087743308  0.001494949484  0.000964132232
  23  Al  6.000011693629  1.990881510842  3.933384174010  -0.275571081301  -0.035951480663  0.222993732917  0.002892086507  0.000669474377  -0.000182870341
  24  Al  3.973307584872  3.936921364151  0.104854238281  0.058595922965  -0.062302644073  -0.536534989909  0.001392270604  -0.000914280606  0.003850246181
  25  Al  3.915854604766  6.023071753747  2.067857135330  0.273434238317  -0.229258133637  -0.359283379417  -0.001131680825  0.004099417492  0.003602714810
  26  Al  5.872242329356  4.027920037633  1.910788652555  0.164692919269  -0.177539733491  0.309637440770  -0.002326424163  0.003568654318  -0.002553493143
  27  Al  5.885153430847  5.967042145467  0.086661653242  0.017944037935  -0.256438780771  -0.522918700629  -0.001838655439  0.001381788988  0.003201097075
  28  Al  3.970475385395  3.992951334252  4.022925568716  -0.059041008821  -0.055147855295  -0.289317035892  0.000844527961  0.001939300070  0.002474307805
  29  Al  3.872587587917  5.953025600232  6.058163983052  0.478507540430  -0.095409849351  -0.334495653879  -0.002450885290  0.001062888714  0.005254502987
  30  Al  5.948395415679  3.861816419725  5.949907989886  -0.120330362984  0.455728732750  -0.172170125309  0.000924300313  -0.003499510491  0.000710985494
  31  Al  6.005081517346  5.891018625167  3.940033524462  -0.352290714620  0.194040383740  -0.113648611542  0.003103204256  -0.001258871777  -0.001148781347


MDSTEP:  44
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.892483854527  0.000000000000  0.000000000000
  0.000035358649  7.893815515770  0.000000000000
  -0.000147299453  -0.000120980666  7.900776936211
VIRIAL (kbar)
  -14.262394592208  -0.240844895395  0.260368160348
  -0.240844895395  -14.849330095419  -1.663165009400
  0.260368160348  -1.663165009400  -6.964117837071
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.804885248594  7.866436802443  7.851363342323  0.404380652789  0.027189854778  -0.127812869933  -0.003161029156  -0.001204636244  -0.002775181793
  1  Al  7.854465240940  1.913106266054  1.889189528112  0.246929898006  0.239448778408  0.109395078138  -0.001095091667  -0.002288690917  -0.003863433792
  2  Al  1.921200083715  7.807247537585  1.932900471244  0.059095127727  0.399081886761  0.256948404495  -0.002211782638  -0.003467073275  -0.001354260732
  3  Al  1.915892705983  1.944786061234  7.876503486645  0.048913670913  -0.046807024471  -0.155424358540  -0.002558842297  -0.001465830192  -0.001815751953
  4  Al  0.020761935963  7.826882636707  4.077379015528  0.169594706775  0.196278420334  -0.637384239325  0.001497915744  -0.002823030142  0.004537054023
  5  Al  0.011866140413  1.970158687836  5.973784803615  -0.002202707809  -0.069155754250  -0.264246301853  0.000538981364  -0.000345396181  0.001697033948
  6  Al  1.945783723396  7.887919135570  5.908241680699  0.034118686906  0.199166509163  0.175983057145  -0.001400922218  0.000477537523  -0.000442003145
  7  Al  1.964664408206  1.988774986788  4.005527595565  -0.091545907715  -0.134056432319  -0.086835071438  -0.000605946139  0.000351674956  0.002588187419
  8  Al  7.855172396526  4.024436314226  7.788329621762  0.058295366540  -0.256415824393  0.422276267389  -0.001655100392  0.002991644586  -0.004386004976
  9  Al  0.027466224471  5.908480112093  1.970390232220  -0.064611807969  -0.040883619667  0.093070127428  0.001219558959  -0.000636776430  0.000127291206
  10  Al  2.021951311983  3.863695733002  1.968164482563  -0.288085361799  0.512815861587  0.289590353960  0.001703290098  -0.002368811979  0.000420531775
  11  Al  1.989117391459  5.949574438036  0.102652013929  -0.153021679010  -0.079020958354  -0.139688299033  0.000267058052  0.001290409321  0.004892602447
  12  Al  7.852645052372  3.978404588935  3.881798019360  0.419666234036  -0.165510236635  0.267140379752  -0.000823322507  0.001277463759  -0.002452106073
  13  Al  0.007147511972  5.889374650048  5.849623000645  -0.052089206719  0.016192739769  0.319692979698  0.000239909132  -0.001387963880  -0.002900918177
  14  Al  1.953832481047  3.907148692865  5.955731758347  -0.052051416524  -0.051824141594  -0.245925738965  -0.001216676586  -0.002266393525  0.000813678398
  15  Al  2.048019409656  5.929588956978  3.861291575667  -0.442869714764  -0.169529648341  0.295121519337  0.002390010497  0.000015760554  -0.003845320884
  16  Al  4.045407269002  0.106396278811  0.002866485854  -0.160122633697  -0.261348656692  0.206810255469  0.004367942592  0.004597517735  0.000801896149
  17  Al  3.837514096719  1.884115696552  1.960206849955  0.511293264807  0.254300956879  0.042986332662  -0.003830554792  -0.003622314476  -0.000691655383
  18  Al  5.989424306809  7.803686746260  1.873202287735  -0.376271332434  0.303858015585  0.414769571732  0.002237747102  -0.003847872040  -0.003955178729
  19  Al  5.945607131756  2.068243921295  7.773130325922  -0.231055811819  -0.523396818333  0.486057770420  0.000497732710  0.003258339038  -0.005257124162
  20  Al  3.973452570241  0.103950989177  3.959209396090  -0.159447219561  -0.465783645350  -0.019692289677  0.000864472625  0.003738527782  0.000265151979
  21  Al  3.970717312223  1.945212096757  5.953105291979  -0.019778551429  0.223853437869  0.096980274891  0.001210180555  -0.000809600629  0.001721349920
  22  Al  5.920976917592  0.017059930136  5.940919404908  -0.040317950168  0.161900770162  0.067017715346  0.000081315320  0.001526398592  0.000977194377
  23  Al  5.995653643924  1.989299470035  3.929766493460  -0.284053746574  -0.034828646165  0.217047681901  0.002845237392  0.000663880518  -0.000143701188
  24  Al  3.970171668609  3.932686100862  0.106661258778  0.056238478428  -0.058723090078  -0.556117122870  0.001404090092  -0.000926084315  0.003756529836
  25  Al  3.911521179169  6.019332573454  2.067783516500  0.289401862443  -0.237740845212  -0.374874426686  -0.001082589358  0.004062196784  0.003540806094
  26  Al  5.865418439596  4.025831171499  1.907807807686  0.174499780407  -0.195537680944  0.321797641775  -0.002298667328  0.003539200058  -0.002499677896
  27  Al  5.878554982799  5.961999650051  0.088161040192  0.014373674415  -0.267240150476  -0.551371750638  -0.001837802664  0.001336496559  0.003108345840
  28  Al  3.967061967299  3.990083455210  4.020533181458  -0.058450082037  -0.058854355719  -0.291784284370  0.000834957070  0.001931262119  0.002424912096
  29  Al  3.867644322776  5.947834990078  6.055330047150  0.489619603872  -0.099844065829  -0.341401866665  -0.002367003109  0.001046638308  0.005199528754
  30  Al  5.943109642960  3.856374513682  5.944906712109  -0.130511347313  0.483801916873  -0.183664879663  0.000902889308  -0.003419326194  0.000679899257
  31  Al  6.000820810647  5.884742729440  3.935911835372  -0.369934530723  0.198612446652  -0.106461911884  0.003042044486  -0.001225147773  -0.001169667893


MDSTEP:  45
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.884841286705  0.000000000000  0.000000000000
  0.000035451362  7.886220667128  0.000000000000
  -0.000148936127  -0.000133959356  7.893672146917
VIRIAL (kbar)
  -11.222587961341  -0.239864096859  0.284174572582
  -0.239864096859  -11.841837916140  -1.699172161503
  0.284174572582  -1.699172161503  -3.716049783471
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.795763297448  7.858254129092  7.842909582698  0.419320404747  0.025892589750  -0.124511978844  -0.003090896862  -0.001201255762  -0.002800672260
  1  Al  7.846322538299  1.910128744846  1.885563696612  0.252589043203  0.245646092747  0.117366918324  -0.001051640403  -0.002247885690  -0.003847217056
  2  Al  1.918236074732  7.798016935818  1.930496605847  0.055450179942  0.425097326507  0.264859102161  -0.002204018140  -0.003397230068  -0.001309012296
  3  Al  1.912758405691  1.942166811824  7.868505636931  0.049368450284  -0.049377006527  -0.146561414634  -0.002552922296  -0.001476084632  -0.001844674600
  4  Al  0.021497630738  7.817942584201  4.075952643527  0.172017899176  0.208326757855  -0.660845696821  0.001530155934  -0.002789949207  0.004425707312
  5  Al  0.012122749007  1.968077447005  5.969249640030  0.000198282789  -0.071216570791  -0.276009092511  0.000539407668  -0.000358323315  0.001650496188
  6  Al  1.943199359981  7.880567851705  5.902715527368  0.042298680972  0.191660975683  0.182313898075  -0.001395658475  0.000513025785  -0.000410419980
  7  Al  1.962453999283  1.987024760604  4.003215927981  -0.096182771775  -0.137858956572  -0.099167659422  -0.000623416613  0.000327766773  0.002574274241
  8  Al  7.846739261235  4.022035859639  7.779151651056  0.064829104315  -0.261583620244  0.440343483968  -0.001645946334  0.002948609843  -0.004313463054
  9  Al  0.028046217761  5.902471902846  1.968686163612  -0.067362444520  -0.040673686091  0.090682234748  0.001209122082  -0.000644780838  0.000143861172
  10  Al  2.020831842723  3.858813524585  1.966617827181  -0.301832412777  0.515492706469  0.295863155185  0.001652433336  -0.002279469176  0.000473341109
  11  Al  1.987318034926  5.944491756019  0.104999947420  -0.154236233437  -0.083743154168  -0.161174833116  0.000239876289  0.001277331540  0.004870840842
  12  Al  7.844647309100  3.975201807676  3.877093095512  0.432786790600  -0.177324125539  0.269818089554  -0.000747996072  0.001248201678  -0.002406657934
  13  Al  0.007257004214  5.883005315985  5.842926431430  -0.050805504140  0.017903783465  0.333245400345  0.000230972806  -0.001386486911  -0.002845568430
  14  Al  1.951328529003  3.902244054748  5.950771936647  -0.047459792888  -0.040059998550  -0.253158110719  -0.001226941953  -0.002277133892  0.000769893542
  15  Al  2.047210774707  5.923877842718  3.855909682804  -0.455138409380  -0.172332478359  0.319420173280  0.002312362843  -0.000014833936  -0.003794399579
  16  Al  4.043666942050  0.108581163499  0.003274126498  -0.171966078264  -0.279841692277  0.205340113460  0.004343137192  0.004554244308  0.000839605528
  17  Al  3.831905109104  1.880499757484  1.958100197042  0.520875158395  0.261738913543  0.049112446822  -0.003742524801  -0.003580201748  -0.000684145453
  18  Al  5.984726387814  7.794264996780  1.869558600875  -0.377885115526  0.326817737831  0.433703061052  0.002172796371  -0.003795784551  -0.003883448766
  19  Al  5.940086636763  2.067847023836  7.763533280675  -0.227646390117  -0.542584652449  0.518638607265  0.000457257041  0.003166577802  -0.005172790859
  20  Al  3.970029192261  0.105693007243  3.955780775298  -0.165523643251  -0.478847416661  -0.015063644658  0.000836373696  0.003658203901  0.000262322261
  21  Al  3.967475270715  1.942935863474  5.948617022820  -0.028272816570  0.229001387468  0.090336236112  0.001207240960  -0.000769981388  0.001739916453
  22  Al  5.915280950594  0.017804161246  5.936068649537  -0.043628419711  0.151362822085  0.064229241010  0.000073898018  0.001556130935  0.000989962456
  23  Al  5.991257024474  1.987709407871  3.926170484770  -0.287100736809  -0.037712147182  0.210526952775  0.002797339379  0.000658131298  -0.000105607416
  24  Al  3.967031862605  3.928436488774  0.108418902186  0.048167428403  -0.053685169854  -0.575539132825  0.001415006404  -0.000937140400  0.003659261032
  25  Al  3.907204742559  6.015558422252  2.067677844715  0.300495680951  -0.242504443967  -0.389577890270  -0.001031035982  0.004023800743  0.003476155315
  26  Al  5.858596761258  4.023715642972  1.904856652808  0.189139043332  -0.212985435603  0.335884221265  -0.002268720243  0.003506584804  -0.002443481552
  27  Al  5.871944320869  5.956919670423  0.089611415670  0.015074040766  -0.273924545664  -0.579586636095  -0.001837228434  0.001289606916  0.003010457237
  28  Al  3.963634579940  3.987200904797  4.018117219250  -0.063391461342  -0.062168777967  -0.294208702587  0.000824996242  0.001922611628  0.002375049373
  29  Al  3.862736164964  5.942621290956  6.052469485338  0.494844808899  -0.100400025197  -0.349579011545  -0.002281595473  0.001029938527  0.005143195558
  30  Al  5.937799093124  3.850966165648  5.939892512052  -0.136261363565  0.512415832112  -0.197388205804  0.000880040090  -0.003334023898  0.000646531026
  31  Al  5.996513822803  5.878470591079  3.931782824380  -0.382761402700  0.207466978147  -0.099311325551  0.002978127984  -0.001190201067  -0.001189304662


MDSTEP:  46
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.877190190787  0.000000000000  0.000000000000
  0.000035471219  7.878616908428  0.000000000000
  -0.000150115852  -0.000147726414  7.886581586112
VIRIAL (kbar)
  -8.143603763981  -0.238056944954  0.310595166148
  -0.238056944954  -8.792073239212  -1.735282928969
  0.310595166148  -1.735282928969  -0.434193838527
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.786670539811  7.850064004363  7.834458609001  0.429775245334  0.027577665718  -0.120792369349  -0.003018448941  -0.001197852295  -0.002825585273
  1  Al  7.838193938898  1.907170647636  1.881951454499  0.253552572224  0.255893478504  0.124652122633  -0.001007559302  -0.002205591417  -0.003829650865
  2  Al  1.915274814859  7.788815062933  1.928119795707  0.054643269161  0.454394647254  0.272653343896  -0.002196668256  -0.003322400089  -0.001262322302
  3  Al  1.909626686911  1.939540045426  7.860508723098  0.052619430240  -0.048173698347  -0.136681269854  -0.002546693140  -0.001486490982  -0.001871966827
  4  Al  0.022248965040  7.809011712721  4.074474886649  0.169864087427  0.223060817431  -0.684326206810  0.001562473216  -0.002754466146  0.004310081368
  5  Al  0.012379732062  1.965986997364  5.964700690623  -0.002356433057  -0.069319612363  -0.287135531764  0.000539826584  -0.000371283252  0.001601875769
  6  Al  1.940616835522  7.873224247673  5.897216280320  0.053717522479  0.186153377470  0.188834563633  -0.001388651539  0.000547395769  -0.000377657366
  7  Al  1.960233033921  1.985259599947  4.000902812755  -0.097493889814  -0.138146085096  -0.112236509250  -0.000641446333  0.000303470962  0.002558095946
  8  Al  7.838303717852  4.019606914400  7.770026730331  0.066513472011  -0.270051924199  0.458660710031  -0.001636064843  0.002904339276  -0.004237626300
  9  Al  0.028620312907  5.896453141893  1.966993761816  -0.074541052795  -0.044345006684  0.087695547584  0.001197799046  -0.000653111017  0.000159969121
  10  Al  2.019683412150  3.853972667401  1.965101203770  -0.312411127973  0.514759022384  0.301485505099  0.001599362029  -0.002189877797  0.000527274217
  11  Al  1.985502711084  5.939394978294  0.107334043482  -0.152429270602  -0.092166960435  -0.183524517447  0.000212718937  0.001263080226  0.004845176222
  12  Al  7.836679900569  3.971978384565  3.872419092892  0.440775751271  -0.192128099992  0.272359779585  -0.000670704569  0.001216539262  -0.002360715160
  13  Al  0.007362248143  5.876630233126  5.836269962809  -0.054038541419  0.015630800856  0.347298052087  0.000221855063  -0.001385075471  -0.002787714953
  14  Al  1.948818435787  3.897330656056  5.945800269577  -0.039752698786  -0.030272050334  -0.259984449196  -0.001236133048  -0.002285984574  0.000724811388
  15  Al  2.046359585802  5.918144229247  3.850562998479  -0.463862497334  -0.178466433363  0.344338405740  0.002232776867  -0.000046263847  -0.003739054101
  16  Al  4.041907207928  0.110741267919  0.003700196194  -0.180058462871  -0.295395130203  0.203510503379  0.004316570334  0.004507929926  0.000877066672
  17  Al  3.826338345061  1.876904614056  1.956001410574  0.534943523583  0.273344684240  0.055079058183  -0.003652322898  -0.003536379700  -0.000675551689
  18  Al  5.979988419414  7.784863159935  1.865956751942  -0.382330913460  0.353197418065  0.452574821474  0.002107255652  -0.003739270217  -0.003808294124
  19  Al  5.934539830833  2.067398737941  7.753996189354  -0.226535067053  -0.557925577724  0.552061317079  0.000417146313  0.003071659422  -0.005082508160
  20  Al  3.966587016203  0.107391990145  3.952357958779  -0.167292176516  -0.488917673286  -0.010293082913  0.000807551055  0.003575762696  0.000260332489
  21  Al  3.964226831807  1.940677259120  5.944147688685  -0.032300747677  0.237931806664  0.083586970810  0.001203191454  -0.000729066161  0.001757319261
  22  Al  5.909575034647  0.018561436635  5.931234413773  -0.050030710887  0.143057402397  0.061368097544  0.000065604322  0.001584229570  0.001002247019
  23  Al  5.986828686728  1.986113387576  3.922600365753  -0.293379210260  -0.036723674090  0.203540195508  0.002748585247  0.000652213946  -0.000068682478
  24  Al  3.963892153695  3.924177567496  0.110125575367  0.044280863014  -0.051682341717  -0.594902939380  0.001424880957  -0.000947588766  0.003558450965
  25  Al  3.902910927722  6.011755916401  2.067541344742  0.316114158057  -0.250646268864  -0.404237446698  -0.000977047208  0.003984254683  0.003408839040
  26  Al  5.851785549840  4.021576603786  1.901938767542  0.201523113649  -0.234419146382  0.349769048593  -0.002236347533  0.003470494467  -0.002384744431
  27  Al  5.865328462009  5.951808574843  0.091010374265  0.013423567619  -0.284602880972  -0.608689186126  -0.001836759985  0.001241127110  0.002907363661
  28  Al  3.960197499204  3.984308049657  4.015682384091  -0.063604022698  -0.068503529242  -0.296475236959  0.000814572310  0.001913111197  0.002324734353
  29  Al  3.857868185146  5.937391396577  6.049588984687  0.504546233811  -0.104504380739  -0.357946117964  -0.002194783182  0.001012817206  0.005085366284
  30  Al  5.932470316820  3.845598423607  5.934871423124  -0.144799842933  0.539130984117  -0.210955414736  0.000855896787  -0.003243714983  0.000610691923
  31  Al  5.992166537446  5.872209868066  3.927651928808  -0.399076143745  0.212258368932  -0.091287764413  0.002911566858  -0.001154009004  -0.001207614912


MDSTEP:  47
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.869539925689  0.000000000000  0.000000000000
  0.000035420481  7.871013481243  0.000000000000
  -0.000150803032  -0.000162291745  7.879514888497
VIRIAL (kbar)
  -5.026591135692  -0.234018665655  0.339058185448
  -0.234018665655  -5.707892245672  -1.765382119234
  0.339058185448  -1.765382119234  2.877458706138
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.777617192300  7.841875771929  7.826020306685  0.442586440497  0.025732879997  -0.116846142898  -0.002943869301  -0.001194473906  -0.002849860734
  1  Al  7.830088849746  1.904235118699  1.878355731639  0.256870125541  0.262941244096  0.132329158252  -0.000963055335  -0.002161727824  -0.003810756926
  2  Al  1.912318509612  7.779653663682  1.925773089556  0.051505922264  0.481036802930  0.280080857801  -0.002189686274  -0.003242517554  -0.001214230702
  3  Al  1.906500134926  1.936908127432  7.852523218436  0.054241727613  -0.049868332489  -0.126713232814  -0.002540048020  -0.001496970319  -0.001897527067
  4  Al  0.023015802527  7.800100485772  4.072948638972  0.169746764931  0.235055824448  -0.707660237633  0.001594640009  -0.002716580390  0.004190177837
  5  Al  0.012636905806  1.963889804719  5.960144252876  -0.002408328874  -0.070275665434  -0.298573539425  0.000540018302  -0.000384177295  0.001551197503
  6  Al  1.938039500110  7.865897064162  5.891751727279  0.063400810497  0.177151678529  0.195685676850  -0.001379763800  0.000580512813  -0.000343666686
  7  Al  1.958003738363  1.983481802649  3.998591982637  -0.100993308454  -0.140865075547  -0.125200972400  -0.000659934157  0.000278883224  0.002539591381
  8  Al  7.829875259965  4.017153435257  7.760965971145  0.071060726366  -0.274875361414  0.476964102449  -0.001625631354  0.002858859309  -0.004158465590
  9  Al  0.029187916952  5.890430411750  1.965315164989  -0.079497029034  -0.044912403926  0.084305582827  0.001185390449  -0.000661836574  0.000175525071
  10  Al  2.018507486742  3.849177612161  1.963617522876  -0.325231113700  0.516764024628  0.306939579531  0.001544154226  -0.002100094008  0.000582259541
  11  Al  1.983673941306  5.934290323481  0.109652460891  -0.152488570146  -0.097979763261  -0.206588943976  0.000185688541  0.001247555254  0.004815459163
  12  Al  7.828752873754  3.968737652911  3.867780959588  0.451495282638  -0.203843019670  0.275009934828  -0.000591658308  0.001182481115  -0.002314277124
  13  Al  0.007462991872  5.870256078284  5.829661969584  -0.054731251156  0.016555877154  0.361543975826  0.000212378558  -0.001383798856  -0.002727289964
  14  Al  1.946305227810  3.892413925576  5.940823411218  -0.033754735936  -0.017062007775  -0.266837393013  -0.001244122157  -0.002292812735  0.000678463200
  15  Al  2.045467516777  5.912394502290  3.845258437379  -0.475074687633  -0.182091240093  0.369894456145  0.002151341490  -0.000078604253  -0.003679163503
  16  Al  4.040132161850  0.112875347289  0.004144543840  -0.190632037676  -0.314883804641  0.201038100285  0.004288349849  0.004458477896  0.000914189609
  17  Al  3.820819609242  1.873333491343  1.953913410334  0.546011416595  0.281993914737  0.061009830189  -0.003559808999  -0.003490734539  -0.000665889753
  18  Al  5.975217123526  7.775492711544  1.862400691717  -0.383831772800  0.376878139880  0.471204716518  0.002041131405  -0.003678255538  -0.003729734162
  19  Al  5.928973898688  2.066900112666  7.744531490649  -0.223032670474  -0.576247456146  0.585654460490  0.000377408075  0.002973653581  -0.004986173818
  20  Al  3.963130615862  0.109047167435  3.948946202778  -0.171514994332  -0.502044457348  -0.004844011805  0.000778168438  0.003491191749  0.000259256706
  21  Al  3.960976377608  1.938439351619  5.939703959315  -0.039366027409  0.243887406642  0.076545424563  0.001198157617  -0.000686779777  0.001773520490
  22  Al  5.903865645120  0.019331037419  5.926423694460  -0.054235085091  0.130959276826  0.058674250531  0.000056353030  0.001610552622  0.001014055449
  23  Al  5.982375208640  1.984513824805  3.919060306364  -0.296999991177  -0.038650112696  0.196509779485  0.002698919595  0.000646213312  -0.000032972542
  24  Al  3.960756912320  3.919914114362  0.111779694215  0.037321595247  -0.046054053032  -0.614639164189  0.001433811192  -0.000957375591  0.003454063379
  25  Al  3.898645779137  6.007931391377  2.067375246085  0.329218209996  -0.256272985230  -0.419537273893  -0.000920438568  0.003943476306  0.003338797373
  26  Al  5.844992867852  4.019416864442  1.899057707656  0.216239969604  -0.252523876922  0.363640316883  -0.002201537151  0.003430863150  -0.002323480298
  27  Al  5.858714221511  5.946672391566  0.092355433977  0.013799264244  -0.292039301122  -0.638108945323  -0.001836425145  0.001190985968  0.002798947888
  28  Al  3.956755433188  3.981408999671  4.013233388503  -0.066800444795  -0.071874715366  -0.298194655142  0.000803839993  0.001902753175  0.002274027002
  29  Al  3.853045860660  5.932151900668  6.046695212266  0.511219339003  -0.105796654305  -0.365788509070  -0.002106431629  0.000995206863  0.005026064428
  30  Al  5.927129628795  3.840278172725  5.929849483499  -0.151362868144  0.569014182228  -0.224630739434  0.000830384060  -0.003148275980  0.000572382560
  31  Al  5.987784642034  5.865967869656  3.923524655864  -0.412762678203  0.220189034321  -0.082866442437  0.002842277626  -0.001116651198  -0.001224482947


MDSTEP:  48
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.861899856423  0.000000000000  0.000000000000
  0.000035302684  7.863419620996  0.000000000000
  -0.000150960865  -0.000177661718  7.872481660741
VIRIAL (kbar)
  -1.875803174719  -0.230371724980  0.368565859114
  -0.230371724980  -2.590305045700  -1.793255146235
  0.368565859114  -1.793255146235  6.213530516103
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.768613687302  7.833698455621  7.817604549280  0.453564392567  0.025933278007  -0.112333499285  -0.002867104975  -0.001191252552  -0.002873425232
  1  Al  7.822016894002  1.901325013083  1.874779480994  0.257805182694  0.272152408161  0.139711646299  -0.000918128882  -0.002116383352  -0.003790521950
  2  Al  1.909369156126  7.770544236777  1.923459495312  0.050556435022  0.509986403873  0.287486728918  -0.002183083632  -0.003157603789  -0.001164769101
  3  Al  1.903381188895  1.934273163972  7.844559573276  0.057991825974  -0.049604454585  -0.115939327661  -0.002532939809  -0.001507605948  -0.001921272469
  4  Al  0.023798193365  7.791219114361  4.071376797752  0.167659422445  0.249057089345  -0.731092018194  0.001626661607  -0.002676352191  0.004065991544
  5  Al  0.012894312215  1.961788080297  5.955586576810  -0.004486319674  -0.069159151664  -0.309718263669  0.000540024817  -0.000397075250  0.001498455624
  6  Al  1.935470550622  7.858594727005  5.886329664481  0.075534332361  0.169331640933  0.202546933598  -0.001368928002  0.000612168983  -0.000308415397
  7  Al  1.955768144545  1.981693449529  3.996287168811  -0.102186611112  -0.141985175138  -0.138686918800  -0.000678870015  0.000253927973  0.002518718552
  8  Al  7.821463642823  4.014679708725  7.751980451199  0.073556673703  -0.281981646941  0.495685288835  -0.001614571231  0.002812287522  -0.004075936908
  9  Al  0.029748638409  5.884410567672  1.963652468614  -0.086375255367  -0.047379955208  0.080520549501  0.001171920796  -0.000670849991  0.000190457123
  10  Al  2.017305336653  3.844433050142  1.962169674490  -0.335824894104  0.516206883201  0.311688072529  0.001486803849  -0.002010098344  0.000638220420
  11  Al  1.981834082691  5.929184240539  0.111953300533  -0.150147469938  -0.105693835594  -0.230403542645  0.000158832266  0.001230817410  0.004781550212
  12  Al  7.820876527006  3.965483222020  3.863183636757  0.459778750925  -0.217789963053  0.277309072041  -0.000510826837  0.001146099662  -0.002267362544
  13  Al  0.007559212657  5.863889810296  5.823110819929  -0.057061361501  0.015536901065  0.376081849055  0.000202623316  -0.001382543974  -0.002664244346
  14  Al  1.943791780005  3.887499594513  5.935847992568  -0.025430163932  -0.005054320255  -0.273274213448  -0.001250851933  -0.002297416107  0.000630881260
  15  Al  2.044536024376  5.906635268575  3.840002953128  -0.483849236731  -0.187010897054  0.396062384874  0.002068046846  -0.000111748109  -0.003614607466
  16  Al  4.038345686073  0.114981810546  0.004606962526  -0.200221912172  -0.332544981349  0.198367811429  0.004258336172  0.004405691967  0.000950898643
  17  Al  3.815354437537  1.869789345152  1.951839105160  0.559060003725  0.292827619911  0.066970505668  -0.003465067151  -0.003443329813  -0.000655158386
  18  Al  5.970419493798  7.766164876646  1.858894338352  -0.387179273034  0.403152560360  0.490055461069  0.001974518380  -0.003612740833  -0.003647763126
  19  Al  5.923396245144  2.066351935592  7.735151605109  -0.220976768901  -0.592373631539  0.620294013422  0.000338126155  0.002872482497  -0.004883667307
  20  Al  3.959664350122  0.110657501124  3.945550810589  -0.173971004055  -0.513147808280  0.000528570192  0.000748162512  0.003404391989  0.000259149525
  21  Al  3.957728024568  1.936224943608  5.935292459839  -0.044981749563  0.251657042498  0.069362406457  0.001191995301  -0.000643223118  0.001788478956
  22  Al  5.898159459281  0.020111910647  5.921643483869  -0.060589501628  0.120114774866  0.055610701077  0.000046147076  0.001634870388  0.001025368542
  23  Al  5.977903414652  1.982912875691  3.915554458927  -0.302664214645  -0.038721155941  0.188474748112  0.002648393322  0.000640033972  0.000001427885
  24  Al  3.957630239989  3.915651226378  0.113379644640  0.031919494250  -0.042335212610  -0.634138221352  0.001441659610  -0.000966346289  0.003346078181
  25  Al  3.894415120193  6.004091408802  2.067180717602  0.344203869659  -0.263420883651  -0.434939342528  -0.000861261847  0.003901549394  0.003265957411
  26  Al  5.838226989175  4.017239534996  1.896217018373  0.229294363047  -0.273615874877  0.377340510611  -0.002164224032  0.003387714216  -0.002259700296
  27  Al  5.852108598709  5.941517435126  0.093644086703  0.012375871344  -0.301718052371  -0.667875120307  -0.001836202433  0.001139268959  0.002685141136
  28  Al  3.953312828588  3.978508130854  4.010774982415  -0.067962745585  -0.077373257971  -0.299954770446  0.000792713161  0.001891609783  0.002222969720
  29  Al  3.848274400875  5.926909647626  6.043794867152  0.519365357878  -0.108832006463  -0.373739410513  -0.002016674855  0.000977201443  0.004965320952
  30  Al  5.921783527387  3.835012577817  5.924832700844  -0.159890210565  0.597633335359  -0.238082030059  0.000803500223  -0.003047526566  0.000531609662
  31  Al  5.983374068408  5.859752181762  3.919406532524  -0.428867283086  0.226152326966  -0.073920574782  0.002770272484  -0.001078019931  -0.001239824051


MDSTEP:  49
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.854279337485  0.000000000000  0.000000000000
  0.000035121188  7.855844549729  0.000000000000
  -0.000150552510  -0.000193841285  7.865491462830
VIRIAL (kbar)
  1.305361593775  -0.225932868065  0.400336748552
  -0.225932868065  0.553008760918  -1.815819220500
  0.400336748552  -1.815819220500  9.573289544538
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.759670279603  7.825541248508  7.809221210204  0.467792450674  0.023826710704  -0.107226866059  -0.002788023102  -0.001188210970  -0.002896172377
  1  Al  7.813987470488  1.898443373925  1.871225612879  0.262174119786  0.278408472957  0.148422171133  -0.000872683823  -0.002069624735  -0.003768848952
  2  Al  1.906428941320  7.761498471130  1.921182006509  0.046953940837  0.537729388228  0.295515417738  -0.002176900674  -0.003067550608  -0.001113880719
  3  Al  1.900272472136  1.931637432135  7.836628260562  0.059731301604  -0.051910716908  -0.104256239300  -0.002525355508  -0.001518451935  -0.001943046560
  4  Al  0.024596014045  7.782377973071  4.069762231574  0.168240263482  0.261659753340  -0.754944844000  0.001658599766  -0.002633722008  0.003937466781
  5  Al  0.013151812856  1.959684217630  5.951033904782  -0.003624847405  -0.070508418184  -0.321930094263  0.000539927232  -0.000410012346  0.001443576872
  6  Al  1.932913398552  7.851325756419  5.880957854207  0.085639435003  0.159180038694  0.208898883721  -0.001356102983  0.000642259990  -0.000271946088
  7  Al  1.953528486738  1.979896761769  3.993992035396  -0.105850248301  -0.145365156495  -0.153034945542  -0.000698269028  0.000228544955  0.002495348998
  8  Al  7.813078425613  4.012189815269  7.743081234819  0.079780200580  -0.286715630484  0.514643410876  -0.001602732423  0.002764627891  -0.003989973922
  9  Al  0.030301915237  5.878400284326  1.962007721599  -0.090242122553  -0.047049617638  0.077052792552  0.001157485177  -0.000680070992  0.000204757706
  10  Al  2.016078429681  3.839743435440  1.960760475515  -0.348867222603  0.516932077490  0.317138225059  0.001427286337  -0.001920001793  0.000695157826
  11  Al  1.979985704133  5.924082999836  0.114234601822  -0.150241541465  -0.111015628148  -0.254418195351  0.000132146509  0.001212907977  0.004743355845
  12  Al  7.813060930543  3.962218496696  3.858632008514  0.471570662620  -0.229981670378  0.279450977567  -0.000428110215  0.001107348116  -0.002220014051
  13  Al  0.007650741421  5.857538203359  5.816624870609  -0.056192258177  0.017438792579  0.390072355039  0.000192728399  -0.001381222401  -0.002598595296
  14  Al  1.941281170896  3.882593277911  5.930880646919  -0.019298055423  0.009163017736  -0.280515729361  -0.001256308151  -0.002299700587  0.000582028378
  15  Al  2.043566782411  5.900873009208  3.834803527105  -0.495232939994  -0.189688793317  0.422189966026  0.001982872359  -0.000145612112  -0.003545326290
  16  Al  4.036551751032  0.117059235259  0.005087229381  -0.212981906935  -0.352819064668  0.195484027089  0.004226327989  0.004349493988  0.000987156316
  17  Al  3.809948533915  1.866275319498  1.949781394241  0.568006867388  0.301031489187  0.073839934921  -0.003368280167  -0.003394199988  -0.000643271846
  18  Al  5.965602352779  7.756891095213  1.855441614582  -0.387260046682  0.427921916897  0.509601408984  0.001907540358  -0.003542619640  -0.003562291587
  19  Al  5.917814137892  2.065755191351  7.725868995473  -0.216086859157  -0.611343737634  0.655234328185  0.000299424193  0.002768080707  -0.004774856473
  20  Al  3.956192731263  0.112222138435  3.942177055724  -0.179559089165  -0.526027682874  0.006105124793  0.000717409293  0.003315378870  0.000260023197
  21  Al  3.954486014967  1.934036997285  5.930919770211  -0.054072601932  0.256590306880  0.060841919156  0.001184521019  -0.000598484853  0.001802059901
  22  Al  5.892462954216  0.020903118846  5.916900707684  -0.064502836426  0.106927835237  0.051725256716  0.000035011141  0.001657082523  0.001036078564
  23  Al  5.973419941724  1.981312860404  3.912086863005  -0.305358303732  -0.041578886515  0.180301657028  0.002597085435  0.000633591871  0.000034415645
  24  Al  3.954516374096  3.911393821773  0.114923836478  0.022467392189  -0.036405724726  -0.653161103773  0.001448201096  -0.000974472623  0.003234551365
  25  Al  3.890224936712  6.000242389436  2.066958910484  0.355747074555  -0.268224634520  -0.449925626788  -0.000799651955  0.003858542609  0.003190340779
  26  Al  5.831496028639  4.015047456060  1.893420215990  0.244886013406  -0.292612557664  0.391846203774  -0.002124324764  0.003340960716  -0.002193342430
  27  Al  5.845518421516  5.936349810425  0.094873795034  0.013495080125  -0.308199938362  -0.697319798404  -0.001836024158  0.001086057678  0.002565931850
  28  Al  3.949874309588  3.975609625467  4.008311890989  -0.072955202631  -0.081185144055  -0.301817272466  0.000781029902  0.001879639111  0.002171546989
  29  Al  3.843559139686  5.921671318168  6.040894609336  0.523689385053  -0.109062541060  -0.382178952713  -0.001925718214  0.000958894370  0.004903076375
  30  Al  5.916438328125  3.829808682309  5.919827067849  -0.165824398942  0.627825530781  -0.252633795666  0.000775298866  -0.002941428961  0.000488291243
  31  Al  5.978940527160  5.853570204103  3.915303107562  -0.442023705780  0.235060212919  -0.065000596671  0.002695592358  -0.001038024820  -0.001253591260


MDSTEP:  50
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.846687699143  0.000000000000  0.000000000000
  0.000034879793  7.848297450653  0.000000000000
  -0.000149539882  -0.000210832371  7.858553802940
VIRIAL (kbar)
  4.509101419587  -0.221076953054  0.433682958058
  -0.221076953054  3.722179831340  -1.835985234416
  0.433682958058  -1.835985234416  12.947356306050
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.750797489334  7.817413100068  7.800880160109  0.477237309079  0.024165635998  -0.102343488194  -0.002706754670  -0.001185336126  -0.002918066271
  1  Al  7.806010260583  1.895592969210  1.867697138898  0.261343212812  0.289000012540  0.155357637478  -0.000826876031  -0.002021324548  -0.003745773338
  2  Al  1.903499806707  7.752527907245  1.918943658821  0.046718521659  0.567359569524  0.302293742129  -0.002171072357  -0.002972287360  -0.001061618722
  3  Al  1.897176420211  1.929002970423  7.828739779972  0.064751412064  -0.050111056763  -0.092859850781  -0.002517179005  -0.001529370311  -0.001962790362
  4  Al  0.025409383321  7.773587271414  4.068107748390  0.164302399864  0.276023187041  -0.777683413736  0.001690288272  -0.002588652253  0.003804656439
  5  Al  0.013409533868  1.957580381663  5.946492345810  -0.007476476629  -0.067875965195  -0.332549631644  0.000539566389  -0.000422853060  0.001386604199
  6  Al  1.930371267832  7.844098428749  5.875643974618  0.098908840243  0.150713535015  0.216278704572  -0.001341183642  0.000670726362  -0.000234210423
  7  Al  1.951286771842  1.978093750269  3.991710146271  -0.105947052049  -0.145170548566  -0.166561022377  -0.000718033536  0.000202850606  0.002469474319
  8  Al  7.804729475999  4.009688033943  7.734279352025  0.081117656707  -0.294271451324  0.533185967975  -0.001590216301  0.002715836295  -0.003900584942
  9  Al  0.030847456574  5.872406457131  1.960382988708  -0.098686729515  -0.050701159952  0.072337733979  0.001141941267  -0.000689605423  0.000218342967
  10  Al  2.014828010253  3.835113316836  1.959392794457  -0.358415896541  0.515226763833  0.320482206314  0.001365690546  -0.001829903896  0.000752947353
  11  Al  1.978131150997  5.918993057766  0.116494391617  -0.146772039921  -0.120276030187  -0.279677296376  0.000105731776  0.001193686041  0.004700738282
  12  Al  7.805316445395  3.958947021529  3.854130916872  0.477727084520  -0.244378763056  0.281848870275  -0.000343694706  0.001066182050  -0.002172220146
  13  Al  0.007737696476  5.851208264172  5.810212388372  -0.059531976042  0.015301877877  0.405222213922  0.000182603031  -0.001379932995  -0.002530282566
  14  Al  1.938776276434  3.877700768342  5.925927896707  -0.009885580244  0.021685124541  -0.285998282910  -0.001260391211  -0.002299616006  0.000531987526
  15  Al  2.042561227836  5.895114377428  3.829667107896  -0.503071349515  -0.195500482141  0.449335663550  0.001895896648  -0.000180277290  -0.003471223977
  16  Al  4.034754036850  0.119105970107  0.005585104254  -0.221950399922  -0.370479066931  0.191775346553  0.004192374959  0.004289876135  0.001022868963
  17  Al  3.804607220696  1.862794310687  1.947743244469  0.581934861031  0.313458757580  0.079289407649  -0.003269362849  -0.003343197264  -0.000630273994
  18  Al  5.960772799370  7.747682631212  1.852046489209  -0.390505307289  0.455084037855  0.527836219991  0.001840203523  -0.003467803381  -0.003473367222
  19  Al  5.912235081123  2.065110605685  7.716696095377  -0.214052956673  -0.625943723384  0.690159932112  0.000261299987  0.002660577351  -0.004659704109
  20  Al  3.952719980619  0.113740072293  3.938830204444  -0.180816223577  -0.536263618164  0.012212320987  0.000686014068  0.003224223525  0.000261944310
  21  Al  3.951254270764  1.931878213733  5.926592314425  -0.058910417172  0.265498677448  0.053663270084  0.001175801837  -0.000552460518  0.001814261066
  22  Al  5.886782807850  0.021703519703  5.912202180728  -0.071510077879  0.095734326833  0.048869113290  0.000022885499  0.001677154652  0.001046202784
  23  Al  5.968931677755  1.979715842513  3.908661520377  -0.311460295552  -0.040269858625  0.172060020841  0.002544953083  0.000627009623  0.000065971099
  24  Al  3.951419180045  3.907146995670  0.116410724442  0.017507079557  -0.032914795301  -0.672804750820  0.001453472750  -0.000981773637  0.003119462465
  25  Al  3.886080895154  5.996390939618  2.066711002977  0.371847584718  -0.276531096093  -0.466042322971  -0.000735504677  0.003814347520  0.003111877307
  26  Al  5.824808308041  4.012843640397  1.890670874172  0.257785247360  -0.314725363932  0.405086465248  -0.002081848003  0.003290504111  -0.002124442650
  27  Al  5.838950724846  5.931175879631  0.096042051509  0.011665376053  -0.319008963564  -0.727721483746  -0.001835925412  0.001031247383  0.002441254037
  28  Al  3.946444147585  3.972717800891  4.005848806345  -0.072746238708  -0.087477861429  -0.302820973898  0.000768911453  0.001866767597  0.002119823866
  29  Al  3.838905057057  5.916443817924  6.038001021607  0.532403737115  -0.113269658226  -0.389477431719  -0.001833506503  0.000940179413  0.004839383090
  30  Al  5.911100561975  3.824673651007  5.914838439792  -0.174938311527  0.656448859550  -0.265633580908  0.000745724955  -0.002829972711  0.000442464059
  31  Al  5.974489977793  5.847429571288  3.911219899790  -0.458572994029  0.239469097199  -0.055121306868  0.002618191125  -0.000996801885  -0.001265698622


MDSTEP:  51
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.839134222037  0.000000000000  0.000000000000
  0.000034582525  7.840787465072  0.000000000000
  -0.000147884419  -0.000228635530  7.851678108887
VIRIAL (kbar)
  7.734468470338  -0.213310476714  0.470382261467
  -0.213310476714  6.907460420489  -1.850762277181
  0.470382261467  -1.850762277181  16.335477486763
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.742005357953  7.809323136354  7.792591165454  0.490452392042  0.022169689514  -0.097524467880  -0.002623384431  -0.001182617489  -0.002939129839
  1  Al  7.798094430983  1.892776942573  1.864196887836  0.264484082716  0.295404255499  0.164865171900  -0.000780813541  -0.001971465513  -0.003721219354
  2  Al  1.900583980026  7.743644210687  1.916747355784  0.043794569836  0.595425603311  0.310948607631  -0.002165536783  -0.002871775367  -0.001007924296
  3  Al  1.894095747032  1.926372173168  7.820904522565  0.067620300978  -0.052000270186  -0.081489627864  -0.002508306651  -0.001540323006  -0.001980528445
  4  Al  0.026238019082  7.764857332533  4.066416217566  0.163581034367  0.288884290948  -0.800244261249  0.001721609721  -0.002541114634  0.003667667298
  5  Al  0.013667181122  1.955479083120  5.941968091531  -0.007606578451  -0.068882367095  -0.345510377447  0.000538852906  -0.000435566628  0.001327466746
  6  Al  1.927847652089  7.836921131276  5.870395735957  0.110002130459  0.140085908478  0.221821924428  -0.001324077960  0.000697523709  -0.000195278804
  7  Al  1.949045312292  1.976286735568  3.989445101010  -0.108679009584  -0.148294074935  -0.180145353004  -0.000738080483  0.000176866878  0.002441158054
  8  Al  7.796426173965  4.007178374692  7.725585712404  0.087026544278  -0.299270489796  0.551241241169  -0.001577048894  0.002665885165  -0.003807843259
  9  Al  0.031384563761  5.866435593401  1.958780203586  -0.103345681043  -0.050378765835  0.069321441174  0.001125215851  -0.000699454046  0.000231252497
  10  Al  2.013555623660  3.830547004176  1.958069293432  -0.370614383802  0.515057115806  0.325906258051  0.001302087518  -0.001739881848  0.000811587655
  11  Al  1.976273074765  5.913920488346  0.118730590223  -0.145905824870  -0.126023884154  -0.305213564451  0.000079673718  0.001173110732  0.004653552779
  12  Al  7.797652880405  3.955672124308  3.849685184822  0.488346266107  -0.256781573238  0.284790946441  -0.000257681563  0.001022578396  -0.002123906709
  13  Al  0.007819820452  5.844906606237  5.803881681652  -0.058976130383  0.017322735936  0.418398209652  0.000172218631  -0.001378664092  -0.002459373583
  14  Al  1.936280252312  3.872827684094  5.920996361027  -0.002898392787  0.036253557529  -0.293654087581  -0.001263022188  -0.002297126704  0.000480719449
  15  Al  2.041521103560  5.889365714820  3.824600692306  -0.513741381300  -0.198041273186  0.476851533175  0.001807178678  -0.000215732649  -0.003392167833
  16  Al  4.032956542530  0.121120601911  0.006100275101  -0.234646463854  -0.390803160664  0.187368717441  0.004156476992  0.004226826064  0.001057899414
  17  Al  3.799336238280  1.859349579031  1.945727475233  0.591105189784  0.321941773072  0.087005156675  -0.003168288761  -0.003290291331  -0.000616087333
  18  Al  5.955937614020  7.738550917920  1.848712791311  -0.390418954372  0.480519405411  0.548006782920  0.001772520019  -0.003388223254  -0.003380926975
  19  Al  5.906666286798  2.064419287641  7.707645253542  -0.208988564988  -0.644630271633  0.724402664993  0.000223768996  0.002549990739  -0.004538261162
  20  Al  3.949250682504  0.115210535384  3.935515530671  -0.185610456226  -0.548584207064  0.019056964584  0.000654046072  0.003130969766  0.000265027264
  21  Al  3.948037071035  1.929751639997  5.922316578510  -0.068014319236  0.270201902297  0.043908511609  0.001165834140  -0.000505168033  0.001824969368
  22  Al  5.881125384443  0.022512152449  5.907554750991  -0.075918167768  0.082142668208  0.043755484644  0.000009724495  0.001695047288  0.001055630058
  23  Al  5.964445171489  1.978124249006  3.905282387106  -0.314430131097  -0.043143278859  0.164347289144  0.002491967974  0.000620285144  0.000096134152
  24  Al  3.948342901979  3.902915602886  0.117838709262  0.007750351486  -0.027179287634  -0.692350213473  0.001457444919  -0.000988265344  0.003000757414
  25  Al  3.881989045055  5.992543325629  2.066438054379  0.383679486765  -0.281168813715  -0.480253363833  -0.000668789650  0.003768974146  0.003030630186
  26  Al  5.818171869599  4.010630804868  1.887972432165  0.273261394312  -0.334390856528  0.420328249118  -0.002036798914  0.003236277273  -0.002052930103
  27  Al  5.832412240595  5.926001587019  0.097146263543  0.012590088727  -0.325217471147  -0.757903342675  -0.001835922395  0.000974858837  0.002311032754
  28  Al  3.943027055300  3.969836734598  4.003390458797  -0.077277931112  -0.091858985449  -0.303546723393  0.000756397769  0.001852941732  0.002067899639
  29  Al  3.834317500271  5.911233667533  6.035120733103  0.536544899239  -0.113385998688  -0.398798459689  -0.001740051826  0.000921065275  0.004774156524
  30  Al  5.905776439324  3.819614486828  5.909872750026  -0.181201669000  0.686274408552  -0.280919350257  0.000714746450  -0.002713180631  0.000394058932
  31  Al  5.970028041710  5.841337484362  3.907162471935  -0.471964691223  0.248351715247  -0.044771961953  0.002538041457  -0.000954350574  -0.001276015696


MDSTEP:  52
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.831628131470  0.000000000000  0.000000000000
  0.000034234946  7.833323662449  0.000000000000
  -0.000145545205  -0.000247248403  7.844873725695
VIRIAL (kbar)
  10.973523155948  -0.207307852135  0.507688667570
  -0.207307852135  10.109937326931  -1.860807786622
  0.507688667570  -1.860807786622  19.728006532504
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.733304210696  7.801280204355  7.784363900277  0.500586375793  0.021447183555  -0.090576149792  -0.002537845123  -0.001180149370  -0.002959175582
  1  Al  7.790249448832  1.889998044666  1.860727893849  0.264071653233  0.305094897641  0.172406569892  -0.000734457320  -0.001920124249  -0.003695128333
  2  Al  1.897683434275  7.734858834698  1.914596147927  0.042589893911  0.624583057975  0.317453840066  -0.002160379417  -0.002766047193  -0.000952819107
  3  Al  1.891032960127  1.923747087842  7.813132791650  0.072408568258  -0.050820181017  -0.067942212853  -0.002498756467  -0.001551364621  -0.001996064976
  4  Al  0.027081932177  7.756198272797  4.064690484447  0.159583371429  0.302775344734  -0.823943554120  0.001752557652  -0.002491146276  0.003526405032
  5  Al  0.013924795996  1.953382490897  5.937467062498  -0.011282635330  -0.066543865690  -0.356293630569  0.000537801700  -0.000448179196  0.001266146033
  6  Al  1.925345838628  7.829801989634  5.865220622763  0.122944151651  0.130116124323  0.229368289652  -0.001304811486  0.000722515613  -0.000155134536
  7  Al  1.946806171425  1.974477724805  3.987200454816  -0.109507129568  -0.148411853448  -0.195472648311  -0.000758475447  0.000150564901  0.002410234441
  8  Al  7.788178254200  4.004665045263  7.717011096630  0.089336855558  -0.305834711844  0.571022338221  -0.001563141127  0.002614859431  -0.003711630900
  9  Al  0.031912879370  5.860494501541  1.957201431542  -0.111287996142  -0.053102611889  0.064065713374  0.001107351431  -0.000709533928  0.000243437150
  10  Al  2.012262566283  3.826048908920  1.956792801967  -0.380477396612  0.513263966093  0.328681743717  0.001236444871  -0.001649940954  0.000871028765
  11  Al  1.974413881259  5.908871626692  0.120941097558  -0.142813643225  -0.134721227033  -0.329893468315  0.000053938499  0.001151229618  0.004601842443
  12  Al  7.790080391152  3.952397276966  3.845299641064  0.494807379649  -0.270621003624  0.285982550677  -0.000170040142  0.000976582876  -0.002075179135
  13  Al  0.007897207152  5.838640161449  5.797640818912  -0.061542960056  0.016149874041  0.433350515971  0.000161643760  -0.001377328434  -0.002385880803
  14  Al  1.933796024575  3.867979790088  5.916092402100  0.006055432778  0.050151159591  -0.298999416538  -0.001264239545  -0.002292105323  0.000428234280
  15  Al  2.040447888515  5.883633602057  3.819611266583  -0.522211915647  -0.203213350206  0.502878999463  0.001716657250  -0.000251922166  -0.003308249364
  16  Al  4.031162910697  0.123101483078  0.006632369394  -0.245185111490  -0.409822107957  0.184222423453  0.004118487882  0.004160214413  0.001092296798
  17  Al  3.794140872824  1.855944012116  1.943737087428  0.603384359852  0.334049386248  0.092610755072  -0.003065199101  -0.003235505498  -0.000600696035
  18  Al  5.951103836692  7.729507160749  1.845444500273  -0.391713326640  0.507147839044  0.566325118206  0.001704661713  -0.003303917758  -0.003284956313
  19  Al  5.901115198701  2.063681966848  7.698728672113  -0.205229435842  -0.659428535887  0.760669523846  0.000186985506  0.002436296299  -0.004410396486
  20  Al  3.945789078809  0.116632577478  3.932238333300  -0.187437508229  -0.559247259792  0.024328435896  0.000621452685  0.003035573395  0.000269198412
  21  Al  3.944838289179  1.927659931709  5.918098758405  -0.074121913181  0.278201088219  0.036051404033  0.001154501894  -0.000456686168  0.001834121299
  22  Al  5.875497240617  0.023327846319  5.902965003951  -0.081897327153  0.069465066281  0.040275565762  -0.000004381362  0.001710624270  0.001064303169
  23  Al  5.959967213949  1.976540117074  3.901953425792  -0.319052758195  -0.042476900605  0.154578158069  0.002438258892  0.000613360278  0.000124766854
  24  Al  3.945291330201  3.898704661714  0.119206201517  0.001055865209  -0.022666974506  -0.710217921869  0.001459960019  -0.000993855047  0.002878587928
  25  Al  3.877955028885  5.988706092193  2.066141275532  0.398582136905  -0.288863830791  -0.496629913814  -0.000599609533  0.003722472453  0.002946570256
  26  Al  5.811594944082  4.008411852634  1.885328486533  0.287216375814  -0.355981332000  0.433594255669  -0.001989077950  0.003178319607  -0.001978797537
  27  Al  5.825909904289  5.920833234317  0.098183858136  0.012034254871  -0.334993138803  -0.786736932886  -0.001835899990  0.000916980882  0.002175399403
  28  Al  3.939627296680  3.966970642402  4.000941563540  -0.078200184563  -0.097742412509  -0.305625514132  0.000743386468  0.001838195495  0.002015675991
  29  Al  3.829801382499  5.906047702408  6.032260134371  0.543512145924  -0.116714520315  -0.405821395626  -0.001645506409  0.000901629077  0.004707415687
  30  Al  5.900472386730  3.814638265496  5.904935664849  -0.189076518921  0.715230943901  -0.294032563587  0.000682471601  -0.002591013103  0.000343062187
  31  Al  5.965560585125  5.835301491556  3.903136385719  -0.487131060039  0.253529886270  -0.035680878625  0.002455260870  -0.000910599322  -0.001284610222


MDSTEP:  53
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.824178572936  0.000000000000  0.000000000000
  0.000033841629  7.825915041226  0.000000000000
  -0.000142482024  -0.000266666148  7.838149887703
VIRIAL (kbar)
  14.224997222000  -0.198610091762  0.546932672132
  -0.198610091762  13.318382016289  -1.867814541873
  0.546932672132  -1.867814541873  23.123664217637
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.724704014636  7.793293194978  7.776208114664  0.514936251868  0.019664885271  -0.084339797112  -0.002450029695  -0.001177912145  -0.002978073715
  1  Al  7.782484383434  1.887259301562  1.857292984280  0.268075828950  0.311403588650  0.181884666636  -0.000687728602  -0.001867305500  -0.003667498473
  2  Al  1.894800272595  7.726183258700  1.912492866202  0.039225504826  0.653328709876  0.325693679518  -0.002155638573  -0.002655032474  -0.000896337655
  3  Al  1.887990715023  1.921130018992  7.805434972044  0.075385500135  -0.052635193097  -0.055079371310  -0.002488516124  -0.001562487750  -0.002009262767
  4  Al  0.027940841861  7.747620228964  4.062933237743  0.159596636542  0.316158254931  -0.846621209747  0.001783196618  -0.002438695499  0.003380850997
  5  Al  0.014182102670  1.951293056261  5.932995290823  -0.010635233688  -0.067253484810  -0.368881065006  0.000536481554  -0.000460664080  0.001202671719
  6  Al  1.922869257504  7.822749120340  5.860126216420  0.134022147822  0.119105716730  0.235040513391  -0.001283381890  0.000745665646  -0.000113764340
  7  Al  1.944571560936  1.972668976984  3.984979553562  -0.112489155019  -0.151611773875  -0.210035276060  -0.000779241003  0.000123936915  0.002376611215
  8  Al  7.779995047129  4.002152082542  7.708566327256  0.096531586060  -0.311215661668  0.589576937611  -0.001548375854  0.002562721371  -0.003611896098
  9  Al  0.032431752424  5.854589663951  1.955648510536  -0.115023184163  -0.052473321712  0.060292729803  0.001088428282  -0.000719817566  0.000254828370
  10  Al  2.010950322773  3.821623262250  1.955565887459  -0.392680315177  0.511641992372  0.333032665413  0.001168758001  -0.001560208779  0.000931175420
  11  Al  1.972556154181  5.903852491858  0.123123893792  -0.142070943198  -0.140388024379  -0.355637205247  0.000028515013  0.001128047214  0.004545580184
  12  Al  7.782608682388  3.949125788903  3.840978901342  0.505828689404  -0.283528077121  0.288257360261  -0.000080731196  0.000928146319  -0.002026094850
  13  Al  0.007969669932  5.832415523209  5.791497943563  -0.059705041375  0.018416466167  0.446622577856  0.000150992621  -0.001375902916  -0.002309790595
  14  Al  1.931326672681  3.863162755147  5.911222504917  0.012865528166  0.064849284002  -0.306062262975  -0.001264056582  -0.002284535768  0.000374583028
  15  Al  2.039343237389  5.877924331570  3.814705627028  -0.533040718345  -0.205205557791  0.530117771874  0.001624313594  -0.000288797829  -0.003219485101
  16  Al  4.029376940905  0.125047086176  0.007181129227  -0.260056195016  -0.430119189205  0.179696387495  0.004078207225  0.004090035737  0.001126049247
  17  Al  3.789026646584  1.852580801750  1.941774865374  0.610374712140  0.342825723287  0.100082762693  -0.002960282953  -0.003178808367  -0.000584120050
  18  Al  5.946278323591  7.720562599326  1.842245400940  -0.389928173282  0.533224786379  0.586022269813  0.001636778272  -0.003214820389  -0.003185490712
  19  Al  5.895589082652  2.062899705897  7.689958621821  -0.198655530728  -0.677517107347  0.795625950045  0.000151084773  0.002319540855  -0.004276035186
  20  Al  3.942339636483  0.118005399471  3.929003715672  -0.193728501697  -0.570845443967  0.030979867143  0.000588098374  0.002938093162  0.000274441510
  21  Al  3.941662026849  1.925606023696  5.913945138833  -0.085200615710  0.282644527076  0.026061161280  0.001141625864  -0.000407035777  0.001841692890
  22  Al  5.869904731837  0.024149516314  5.898439589456  -0.085560622170  0.055475588645  0.034887385060  -0.000019366787  0.001723846377  0.001072196063
  23  Al  5.955504389734  1.974965784429  3.898678360607  -0.320774939353  -0.045315832974  0.145763885455  0.002383934167  0.000606237384  0.000151769131
  24  Al  3.942268490059  3.894519044337  0.120511762021  -0.010828235840  -0.017298484597  -0.728552037038  0.001460825093  -0.000998574124  0.002753055645
  25  Al  3.873984723536  5.984885461527  2.065821657216  0.408586242598  -0.293337293261  -0.511120191219  -0.000528123541  0.003674852559  0.002859666783
  26  Al  5.805085564442  4.006189482367  1.882742429155  0.303453514868  -0.376373352646  0.448427684183  -0.001938611877  0.003116558922  -0.001902076675
  27  Al  5.819450456351  5.915676750965  0.099152381940  0.013954920013  -0.340904424960  -0.816026685567  -0.001835767814  0.000857636694  0.002034425316
  28  Al  3.936249418185  3.964123573389  3.998506660441  -0.084201275150  -0.102851589911  -0.306660913194  0.000729744822  0.001822461191  0.001963123107
  29  Al  3.825361828326  5.900892420097  6.029425741926  0.545378393928  -0.116504353132  -0.414812842921  -0.001550070056  0.000881898670  0.004639184637
  30  Al  5.895194625947  3.809751950884  5.900032960915  -0.194247096480  0.744379387660  -0.308937970214  0.000648995744  -0.002463520985  0.000289504380
  31  Al  5.961093255812  5.829328757717  3.899147033492  -0.499389680929  0.262259255406  -0.025299427920  0.002369944805  -0.000865559063  -0.001291476617


MDSTEP:  54
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.816794606730  0.000000000000  0.000000000000
  0.000033408505  7.818570496222  0.000000000000
  -0.000138654015  -0.000286882419  7.831515714662
VIRIAL (kbar)
  17.477694876143  -0.192392267771  0.589872718087
  -0.192392267771  16.535602917700  -1.869671369480
  0.589872718087  -1.869671369480  26.512412311321
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.716215029693  7.785370801027  7.768133376893  0.523343381871  0.018278759668  -0.077651316116  -0.002360087102  -0.001175964662  -0.002995844319
  1  Al  7.774808614430  1.884563410701  1.853895127809  0.266000257549  0.321752543245  0.189055956589  -0.000640774615  -0.001812946672  -0.003638358532
  2  Al  1.891936382873  7.717628821883  1.910440468471  0.040056470723  0.681566693401  0.331671356850  -0.002151131157  -0.002538803943  -0.000838524658
  3  Al  1.884971482411  1.918522977092  7.797821270397  0.082404997409  -0.050441547214  -0.041756487651  -0.002477383387  -0.001573600942  -0.002020138056
  4  Al  0.028814830333  7.739133188096  4.061147200085  0.153790983552  0.329229406606  -0.868580609961  0.001813363762  -0.002383830672  0.003231152910
  5  Al  0.014439213235  1.949212932416  5.928558561033  -0.015935664164  -0.063994630163  -0.379200544385  0.000534746486  -0.000472938770  0.001137081710
  6  Al  1.920421151762  7.815770445629  5.855119845747  0.148942461543  0.107925202022  0.242748222934  -0.001259608523  0.000766863199  -0.000071152102
  7  Al  1.942343477997  1.970862449921  3.982785755792  -0.111072202561  -0.150848771635  -0.224494885463  -0.000800176527  0.000097060818  0.002340361203
  8  Al  7.771886234543  3.999643580446  7.700262001324  0.097919296596  -0.317329004389  0.608377828979  -0.001532833378  0.002509507835  -0.003508719594
  9  Al  0.032940910038  5.848727784459  1.954123382961  -0.124201127945  -0.055740114660  0.054459953989  0.001068333639  -0.000730353440  0.000265373570
  10  Al  2.009620147951  3.817274259572  1.954391231965  -0.400278845120  0.509737389497  0.334602628056  0.001099225367  -0.001470693297  0.000991920310
  11  Al  1.970702246451  5.898869296722  0.125276867297  -0.136865891120  -0.149957481937  -0.381601795219  0.000003592255  0.001103482798  0.004484642658
  12  Al  7.775247784200  3.945861001654  3.836727620022  0.510434771880  -0.296618166737  0.290184447321  0.000010082511  0.000877331695  -0.001976585997
  13  Al  0.008037417371  5.826239514418  5.785460962350  -0.063053064060  0.016940180764  0.461576144672  0.000140195006  -0.001374413547  -0.002231097952
  14  Al  1.928875062931  3.858382266782  5.906392914030  0.023684334383  0.079791998210  -0.310748724414  -0.001262303926  -0.002274320032  0.000319822759
  15  Al  2.038208573893  5.872244401988  3.809890619826  -0.539342414495  -0.210713828486  0.556986123711  0.001530337289  -0.000326390649  -0.003125791769
  16  Al  4.027602006493  0.126955772187  0.007746175347  -0.270161533153  -0.449764640160  0.175158233037  0.004035667770  0.004016226236  0.001159031001
  17  Al  3.783998565778  1.849262814361  1.939843731419  0.623245395741  0.355696858352  0.105496119613  -0.002853481906  -0.003120126549  -0.000566374774
  18  Al  5.941468144286  7.711728319481  1.839119371936  -0.392207382266  0.559239872457  0.603632526214  0.001568779631  -0.003120976929  -0.003082586891
  19  Al  5.890095392655  2.062073248662  7.681347140594  -0.195801535268  -0.691047482689  0.830712040258  0.000115986300  0.002199831419  -0.004135272006
  20  Al  3.938906381065  0.119328120305  3.925816847653  -0.194339049462  -0.581516844872  0.037321679959  0.000554090214  0.002838522704  0.000280853324
  21  Al  3.938511900452  1.923592508830  5.909861729958  -0.090694954038  0.290822445021  0.018009953906  0.001127258120  -0.000356198593  0.001847663845
  22  Al  5.864354356825  0.024975963328  5.893984902103  -0.093037116386  0.041840290145  0.031247373890  -0.000035366971  0.001734624202  0.001079292885
  23  Al  5.951063481073  1.973403250736  3.895460944575  -0.326882350953  -0.044087000851  0.136575554062  0.002328857953  0.000598966065  0.000177191210
  24  Al  3.939277902647  3.890363646483  0.121753909653  -0.017336612567  -0.012251404424  -0.746584560489  0.001460053887  -0.001002373315  0.002624139477
  25  Al  3.870083527584  5.981087869290  2.065480331006  0.424002227685  -0.301404027773  -0.527521491844  -0.000454281758  0.003626076759  0.002769911948
  26  Al  5.798651903573  4.003966450281  1.880217763324  0.315940226213  -0.397592260923  0.461172653733  -0.001885526860  0.003051021252  -0.001822809512
  27  Al  5.813040793679  5.910538333638  0.100049339396  0.012182558597  -0.350827725972  -0.845162437505  -0.001835633297  0.000796809767  0.001888075339
  28  Al  3.932897471159  3.961299596332  3.996090326108  -0.084171398889  -0.108539911902  -0.307647877818  0.000715556581  0.001805753653  0.001910336629
  29  Al  3.821003465506  5.895774558400  6.026623813532  0.552628736201  -0.120248423845  -0.421644736121  -0.001453714173  0.000861835600  0.004569475258
  30  Al  5.889949557753  3.804962473687  5.895170167659  -0.203440284565  0.773346742329  -0.321439805948  0.000614198704  -0.002330693833  0.000233436855
  31  Al  5.956631899747  5.823426688322  3.895199864175  -0.515754672931  0.266754886916  -0.014953524838  0.002281980383  -0.000819288157  -0.001296499911


MDSTEP:  55
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.809485175889  0.000000000000  0.000000000000
  0.000032940094  7.811298825396  0.000000000000
  -0.000134017803  -0.000307888321  7.824980184451
VIRIAL (kbar)
  20.730605775520  -0.182326219724  0.632895748063
  -0.182326219724  19.746992755022  -1.866196047840
  0.632895748063  -1.866196047840  29.895464183311
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.707846868188  7.777521655160  7.760149150487  0.535220189030  0.017118881488  -0.070080999171  -0.002268233402  -0.001174250809  -0.003012364940
  1  Al  7.767230861425  1.881913406512  1.850537048806  0.267285738046  0.329249781888  0.198497842650  -0.000593837290  -0.001756937750  -0.003607707539
  2  Al  1.889093995880  7.709206722019  1.908441675726  0.036856740179  0.710276444457  0.339432073789  -0.002146841268  -0.002417355530  -0.000779420667
  3  Al  1.881978065028  1.915928307390  7.790301790420  0.086015558740  -0.050772572981  -0.027875009314  -0.002465298723  -0.001584570541  -0.002028595888
  4  Al  0.029703462084  7.730747012575  4.059335086245  0.150966311917  0.342908084072  -0.891022057967  0.001842803860  -0.002326520538  0.003077324468
  5  Al  0.014695710075  1.947144604257  5.924162753234  -0.018005946766  -0.063146426362  -0.391478152621  0.000532352544  -0.000484863613  0.001069400316
  6  Al  1.918005078462  7.808873778823  5.850208916257  0.160202350582  0.097189486373  0.248496846829  -0.001233471236  0.000786130343  -0.000027289362
  7  Al  1.940124283345  1.969060432242  3.980622359505  -0.113559337850  -0.152586650122  -0.239503611853  -0.000821237683  0.000070066631  0.002301439885
  8  Al  7.763860862398  3.997143522963  7.692108595616  0.103037759568  -0.323566291640  0.627275326383  -0.001516697334  0.002455138902  -0.003402064101
  9  Al  0.033439592881  5.842915145548  1.952627772132  -0.130118789873  -0.056151438752  0.050411655734  0.001046869936  -0.000741234598  0.000275047065
  10  Al  2.008273678282  3.813006023748  1.953271236078  -0.411749460689  0.506958723423  0.337876832016  0.001027908716  -0.001381496183  0.001053167424
  11  Al  1.968854879006  5.893927833172  0.127397889218  -0.135627890883  -0.156849522752  -0.406844413778  -0.000020785190  0.001077423979  0.004419066278
  12  Al  7.768007038679  3.942606192918  3.832550348983  0.518402475413  -0.310003316825  0.291756694901  0.000102130652  0.000824092317  -0.001926713402
  13  Al  0.008100195111  5.820118551231  5.779537826043  -0.063129885409  0.018262487415  0.474379266876  0.000129079240  -0.001372943700  -0.002149840094
  14  Al  1.926444390688  3.853643985758  5.901609978808  0.030711509617  0.094059060904  -0.317284564107  -0.001258959400  -0.002261492032  0.000263998911
  15  Al  2.037045696499  5.866599925030  3.805172986789  -0.549779966393  -0.213594646966  0.583235235357  0.001434759300  -0.000364781021  -0.003027249941
  16  Al  4.025841851191  0.128825962793  0.008327129424  -0.283598447607  -0.469219853923  0.170716778797  0.003990991932  0.003938853494  0.001191248173
  17  Al  3.779062103730  1.845993256990  1.937946388367  0.631758985028  0.365911568906  0.112768697181  -0.002744654358  -0.003059326306  -0.000547476297
  18  Al  5.936679916169  7.703015304328  1.836070069810  -0.389719860122  0.585682609187  0.622855250405  0.001500726687  -0.003022345737  -0.002976280959
  19  Al  5.884641163556  2.061203724370  7.672906136124  -0.188688347504  -0.707041483480  0.865671661842  0.000081738783  0.002077349294  -0.003988096188
  20  Al  3.935493788230  0.120599943715  3.922682800956  -0.198246092333  -0.591639224594  0.043468275959  0.000519639900  0.002736988596  0.000288389829
  21  Al  3.935391969300  1.921622292378  5.905854610791  -0.099972214964  0.296229253469  0.007846984324  0.001111557094  -0.000304086224  0.001852015757
  22  Al  5.858852186893  0.025806023836  5.889607387582  -0.096445929553  0.028367993690  0.025455027427  -0.000052360550  0.001743000110  0.001085555928
  23  Al  5.946650792105  1.971854856839  3.892304827234  -0.328452605256  -0.045649125397  0.127035995247  0.002273040779  0.000591659898  0.000200966479
  24  Al  3.936323511777  3.886243285566  0.122931189127  -0.027694322822  -0.007774142134  -0.763662083167  0.001457780054  -0.001005330854  0.002491945735
  25  Al  3.866257265772  5.977319360584  2.065118222259  0.435328335142  -0.306748376800  -0.542055340181  -0.000377961970  0.003576062750  0.002677296444
  26  Al  5.792301710442  4.001745392507  1.877757770658  0.332361551986  -0.418854722081  0.475637939296  -0.001829801480  0.002981621654  -0.001741024581
  27  Al  5.806687392194  5.905423747037  0.100872246394  0.014612449822  -0.357563967534  -0.873035448612  -0.001835449637  0.000734423078  0.001736468312
  28  Al  3.929575988406  3.958502682579  3.993697070854  -0.088002575629  -0.114793912887  -0.308952122854  0.000701014560  0.001787967900  0.001857290731
  29  Al  3.816731346280  5.890700431338  6.023860695956  0.555685027597  -0.121151619020  -0.430306048528  -0.001356329193  0.000841338977  0.004498312092
  30  Al  5.884743136321  3.800276702645  5.890352921652  -0.208296274871  0.800900555585  -0.335740539227  0.000578106285  -0.002192664984  0.000174910505
  31  Al  5.952181908156  5.817602239232  3.891300251227  -0.527357034141  0.273992363395  -0.004977993631  0.002191420669  -0.000771917501  -0.001299713550


MDSTEP:  56
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.802259102949  0.000000000000  0.000000000000
  0.000032442847  7.804108689526  0.000000000000
  -0.000128531336  -0.000329672405  7.818552137453
VIRIAL (kbar)
  23.977527834603  -0.174367898499  0.679186097927
  -0.174367898499  22.954322250975  -1.857920575877
  0.679186097927  -1.857920575877  33.260244852158
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.699609332932  7.769754274575  7.752264837046  0.545326030162  0.015514438434  -0.062848558440  -0.002174311900  -0.001172789631  -0.003027583653
  1  Al  7.759760024775  1.879312034780  1.847221637789  0.266860561026  0.337858650824  0.206681695133  -0.000546768114  -0.001699430658  -0.003575450814
  2  Al  1.886274951509  7.700928063672  1.906499334992  0.036723373211  0.738082310890  0.346127097018  -0.002142854017  -0.002290716770  -0.000718959378
  3  Al  1.879012927827  1.913348095962  7.782886546154  0.092503554594  -0.049947101166  -0.014287472491  -0.002452306792  -0.001595517858  -0.002034608640
  4  Al  0.030606571904  7.722471482611  4.057499497526  0.146633028555  0.355817163920  -0.912037808581  0.001871646917  -0.002266774865  0.002919442981
  5  Al  0.014951464236  1.945090308026  5.919813468370  -0.021847598004  -0.061079264896  -0.402461370217  0.000529429088  -0.000496544725  0.000999564927
  6  Al  1.915624237769  7.802066838979  5.845400556461  0.174298769540  0.085576216894  0.254970469067  -0.001205039857  0.000803425830  0.000017715044
  7  Al  1.937915957044  1.967264955299  3.978492545856  -0.112939976906  -0.153315305199  -0.253783150731  -0.000842495665  0.000042820359  0.002259858795
  8  Al  7.755928188264  3.994655817707  7.684116458010  0.106478799526  -0.329470500449  0.645431046397  -0.001499782221  0.002399629990  -0.003291980910
  9  Al  0.033927334626  5.837158181742  1.951163527049  -0.137486524483  -0.057574453447  0.045080405459  0.001024196562  -0.000752296183  0.000283892613
  10  Al  2.006912173692  3.808822532770  1.952208421117  -0.419852762601  0.504390228947  0.339636077827  0.000954759329  -0.001292675351  0.001114933786
  11  Al  1.967016388819  5.889034029797  0.129484897440  -0.131350497160  -0.164801388097  -0.432979262747  -0.000044699905  0.001050012556  0.004348827605
  12  Al  7.760895970777  3.939364545984  3.828451539302  0.524328321604  -0.322691571398  0.294040010387  0.000195533625  0.000768460226  -0.001876443376
  13  Al  0.008158041510  5.814059197827  5.773736190414  -0.064505432353  0.018668203487  0.487989560273  0.000117821177  -0.001371324041  -0.002066132665
  14  Al  1.924037481067  3.848953444055  5.896879778783  0.040526592456  0.109144285962  -0.322567564214  -0.001254109993  -0.002246034430  0.000207056580
  15  Al  2.035856003473  5.860997144319  3.800559345675  -0.556813657129  -0.217078992156  0.609971621461  0.001337510319  -0.000403788837  -0.002923863761
  16  Al  4.024099863379  0.130656098141  0.008923623814  -0.296344723155  -0.489138586775  0.165311557098  0.003943937835  0.003857885555  0.001222621705
  17  Al  3.774222284323  1.842775064480  1.936085670908  0.641488593999  0.377392257038  0.119046830190  -0.002634075979  -0.002996526902  -0.000527345570
  18  Al  5.931920593690  7.694434438671  1.833101261216  -0.389625474820  0.611265087355  0.640713876936  0.001432830055  -0.002918956680  -0.002866544641
  19  Al  5.879233718986  2.060292008853  7.664647367883  -0.183722023670  -0.721204645695  0.899608530784  0.000048531757  0.001952032255  -0.003834600347
  20  Al  3.932105977673  0.121820123503  3.919606561602  -0.201086877108  -0.602120827451  0.050371604006  0.000484546692  0.002633502724  0.000297102333
  21  Al  3.932305894401  1.919698000667  5.901929570271  -0.108056333719  0.302394214285  -0.001582208186  0.001094288624  -0.000250876504  0.001854622401
  22  Al  5.853404565125  0.026638552619  5.885313197219  -0.102424239650  0.014265507258  0.020402327303  -0.000070214866  0.001748928424  0.001090857230
  23  Al  5.942272942808  1.970322661401  3.889213558855  -0.332684392838  -0.046016846374  0.118101757528  0.002216647497  0.000584175584  0.000223115808
  24  Al  3.933408859182  3.882162658432  0.124042229013  -0.036988291023  -0.002734535958  -0.780913342128  0.001453751690  -0.001007446014  0.002356538599
  25  Al  3.862511339779  5.973586123483  2.064736388683  0.447667198825  -0.313124014631  -0.557172736331  -0.000299435444  0.003524957422  0.002581929895
  26  Al  5.786042995759  3.999528874134  1.875365852955  0.346015836961  -0.439639567128  0.488750401195  -0.001771326418  0.002908391887  -0.001656684814
  27  Al  5.800397012794  5.900338936775  0.101618728912  0.014649486729  -0.365398140334  -0.901135343992  -0.001835053679  0.000670660276  0.001579689424
  28  Al  3.926289097929  3.955736686706  3.991331308045  -0.090453345859  -0.120588683531  -0.309610449614  0.000685895829  0.001769091751  0.001804013132
  29  Al  3.812550089396  5.885676506137  6.021142471401  0.559774204670  -0.122982534634  -0.438137740999  -0.001258194836  0.000820578551  0.004425600942
  30  Al  5.879581612758  3.795701315222  5.885586594002  -0.215536566453  0.828602918970  -0.348579566537  0.000540890935  -0.002049538650  0.000113892134
  31  Al  5.947749008191  5.811862510406  3.887453464943  -0.541555634927  0.279935475055  0.005861707145  0.002098454036  -0.000723315289  -0.001301070538


MDSTEP:  57
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.795125073118  0.000000000000  0.000000000000
  0.000031921966  7.797008617590  0.000000000000
  -0.000122150595  -0.000352221023  7.812240243836
VIRIAL (kbar)
  27.212607183826  -0.164002806856  0.728380603976
  -0.164002806856  26.147679065032  -1.845481510276
  0.728380603976  -1.845481510276  36.606662760238
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.691511932548  7.762077006073  7.744489634839  0.558076618938  0.013732836227  -0.055630234957  -0.002078239685  -0.001171636290  -0.003041528634
  1  Al  7.752404715594  1.876762108388  1.843951628454  0.269145425588  0.344659130732  0.216296726385  -0.000499476730  -0.001640484263  -0.003541568768
  2  Al  1.883481326876  7.692803740944  1.904616156887  0.034773126119  0.765679265566  0.353772339649  -0.002139056628  -0.002158978304  -0.000657149028
  3  Al  1.876078758517  1.910784499776  7.775585353279  0.097693777949  -0.050407285158  -0.000829432908  -0.002438263498  -0.001606453503  -0.002038210221
  4  Al  0.031523862040  7.714316178538  4.055643074772  0.144939252406  0.368848703790  -0.932481628054  0.001899992514  -0.002204646929  0.002757680454
  5  Al  0.015206189943  1.943052356851  5.915516293952  -0.022988150947  -0.060456358717  -0.414580246805  0.000526058318  -0.000508001888  0.000927586570
  6  Al  1.913282049065  7.795357137765  5.840701833487  0.186517101647  0.073810750594  0.260273632903  -0.001174224898  0.000818654908  0.000063822626
  7  Al  1.935720721877  1.965478108055  3.976399476558  -0.114345255835  -0.155618558655  -0.267865326766  -0.000863853599  0.000015270742  0.002215696353
  8  Al  7.748097182831  3.992184338961  7.676295700818  0.113272177063  -0.335183340914  0.662863930852  -0.001481936208  0.002343024860  -0.003178594914
  9  Al  0.034403539122  5.831463137830  1.949732340003  -0.142116596304  -0.057092592080  0.040758206072  0.001000426383  -0.000763458161  0.000291884641
  10  Al  2.005537159451  3.804727719462  1.951205133307  -0.429565824444  0.501271104244  0.341929908612  0.000879930921  -0.001204260035  0.001177131716
  11  Al  1.965189348620  5.884193621725  0.131535751338  -0.128706447135  -0.171179729904  -0.459261940545  -0.000068025762  0.001021291780  0.004273825557
  12  Al  7.753923788783  3.936139240747  3.824435620710  0.532837941470  -0.335372270936  0.296689216715  0.000290342235  0.000710494653  -0.001825677850
  13  Al  0.008210879128  5.808067838090  5.768063656789  -0.062917028450  0.020956531899  0.500292301670  0.000106569418  -0.001369466985  -0.001980016223
  14  Al  1.921657373966  3.844316180954  5.892208376128  0.048490367915  0.124183342408  -0.328598826290  -0.001247669231  -0.002227873571  0.000149039404
  15  Al  2.034641161420  5.855442150338  3.796056273654  -0.565933194607  -0.218807657101  0.636782758388  0.001238704508  -0.000443311684  -0.002815575524
  16  Al  4.022379426645  0.132444578091  0.009535206738  -0.312042051163  -0.509276548190  0.159423262444  0.003894297452  0.003773253931  0.001253020551
  17  Al  3.769484172493  1.839611251577  1.934264282498  0.647632937808  0.387406397989  0.126221980926  -0.002521953954  -0.002931741426  -0.000505989569
  18  Al  5.927196812930  7.685996399532  1.830216549566  -0.386884484608  0.636683859405  0.659054493823  0.001365111086  -0.002810892704  -0.002753450993
  19  Al  5.873880088325  2.059339109100  7.656582335555  -0.176519691432  -0.736746021660  0.932779647490  0.000016374080  0.001823915320  -0.003674934713
  20  Al  3.928747096108  0.122987881889  3.916593098666  -0.206839699757  -0.612345338324  0.057664208703  0.000448644061  0.002528051066  0.000307094479
  21  Al  3.929257376400  1.917822297786  5.898092336862  -0.119435620459  0.306798987328  -0.012088276120  0.001075261915  -0.000196657142  0.001855449996
  22  Al  5.848017502802  0.027472351502  5.881108421840  -0.106154967970  -0.000060717805  0.014167796536  -0.000088959892  0.001752328783  0.001095155501
  23  Al  5.937936213266  1.968808798322  3.886190659699  -0.334289079249  -0.047981692374  0.109395095891  0.002159672425  0.000576476457  0.000243711811
  24  Al  3.930537513619  3.878126445290  0.125085639837  -0.049822148518  0.002249066468  -0.797704663297  0.001447744276  -0.001008672105  0.002217938325
  25  Al  3.858851174716  5.969894157270  2.064335792222  0.456492301508  -0.317873987032  -0.571414770420  -0.000218922354  0.003472809850  0.002483833520
  26  Al  5.779883419790  3.997319438145  1.873045249936  0.361258094364  -0.460158631986  0.502708551556  -0.001710202236  0.002831391533  -0.001569831514
  27  Al  5.794176096941  5.895289650183  0.102286388866  0.016656949665  -0.370985533742  -0.928605176257  -0.001834481726  0.000605621218  0.001417767672
  28  Al  3.923040983008  3.953005440575  3.988997423324  -0.096081909160  -0.126560541218  -0.309932363471  0.000670038339  0.001749147804  0.001750590187
  29  Al  3.808464339559  5.880709070042  6.018475169677  0.560187240354  -0.123054222291  -0.446760027612  -0.001159545015  0.000799627559  0.004351340633
  30  Al  5.874470922340  3.791242940120  5.880876556985  -0.220385972501  0.855403188966  -0.362384796780  0.000502551272  -0.001901373634  0.000050423099
  31  Al  5.943338591168  5.806214389086  3.883664766640  -0.552945190257  0.287477862471  0.017063651667  0.002003094495  -0.000673451837  -0.001300458308


MDSTEP:  58
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.788091619075  0.000000000000  0.000000000000
  0.000031383747  7.790006980908  0.000000000000
  -0.000114830034  -0.000375518747  7.806053005800
VIRIAL (kbar)
  30.424571045221  -0.155669489020  0.777699473929
  -0.155669489020  29.327181220688  -1.828239171293
  0.777699473929  -1.828239171293  39.923952267968
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.683564263498  7.754498023828  7.736832570069  0.564881111865  0.012433817659  -0.046529761933  -0.001980307400  -0.001170763096  -0.003054029525
  1  Al  7.745173636460  1.874266240158  1.840729838874  0.265630416855  0.354265139995  0.224498351223  -0.000452238561  -0.001580006084  -0.003506055800
  2  Al  1.880714998371  7.684844474479  1.902794896602  0.034698919242  0.792573808030  0.359915225145  -0.002135442703  -0.002022213053  -0.000594037045
  3  Al  1.873178090927  1.908239521622  7.768407846173  0.104560682142  -0.048045880683  0.014177646499  -0.002423132023  -0.001617239145  -0.002039269737
  4  Al  0.032455275091  7.706290535018  4.053768422631  0.137023507711  0.381497913251  -0.953571265485  0.001927518698  -0.002140155542  0.002592024124
  5  Al  0.015459844635  1.941032895877  5.911276588259  -0.030122889805  -0.056838374075  -0.425129383433  0.000521944795  -0.000519096009  0.000853501059
  6  Al  1.910981727929  7.788752018092  5.836119585449  0.200419719237  0.062404817356  0.266674988277  -0.001141039884  0.000831833326  0.000111028148
  7  Al  1.933540581191  1.963701799281  3.974346247239  -0.113411777563  -0.154806758285  -0.282990473887  -0.000885283137  -0.000012445124  0.002168872659
  8  Al  7.740376965348  3.989732901135  7.668656205145  0.114213704848  -0.341620690495  0.681639956129  -0.001463380744  0.002285272848  -0.003061844903
  9  Al  0.034867856258  5.825836310160  1.948335952029  -0.152195626146  -0.059448897554  0.035373820498  0.000975314732  -0.000774803783  0.000299017280
  10  Al  2.004149978117  3.800725390975  1.950263727687  -0.436931201560  0.497954470304  0.342606034206  0.000803486310  -0.001116316161  0.001239664149
  11  Al  1.963376147071  5.879412366394  0.133548297888  -0.124240169521  -0.180125630676  -0.483782140017  -0.000090745300  0.000991170118  0.004194196587
  12  Al  7.747099783967  3.932933378608  3.820506972047  0.535089260692  -0.347957396602  0.297773212678  0.000386230014  0.000650201190  -0.001774522377
  13  Al  0.008258897196  5.802150906343  5.762527584995  -0.066817475878  0.020524332147  0.513021728718  0.000095097937  -0.001367446224  -0.001891565589
  14  Al  1.919306906499  3.839737652889  5.887601638283  0.058023516351  0.138808884467  -0.333373200634  -0.001239659540  -0.002207045914  0.000089991538
  15  Al  2.033402611778  5.849941071631  3.791670272031  -0.572473073945  -0.223151899071  0.661353102725  0.001138382612  -0.000483426944  -0.002702571717
  16  Al  4.020683586105  0.134189783216  0.010161385246  -0.322585350114  -0.528403440624  0.154788805582  0.003842261877  0.003685022106  0.001282511838
  17  Al  3.764852438450  1.836504662726  1.932484965116  0.659175172666  0.400063243368  0.132289212623  -0.002408121854  -0.002864859952  -0.000483425471
  18  Al  5.922515332610  7.677711693277  1.827419541057  -0.385961286024  0.661661187325  0.676203931826  0.001297642769  -0.002698199554  -0.002637057928
  19  Al  5.868587387210  2.058345868712  7.648722304875  -0.170816177559  -0.748802094565  0.966412470880  -0.000014667348  0.001693181771  -0.003509117234
  20  Al  3.925420953630  0.124102463610  3.913647332615  -0.206549181596  -0.621738722921  0.063353998572  0.000412210559  0.002420726264  0.000318258952
  21  Al  3.926249746767  1.915997653932  5.894348418262  -0.125080276837  0.313661559577  -0.021574985046  0.001054692224  -0.000141364004  0.001854490290
  22  Al  5.842697098256  0.028306205183  5.876998921625  -0.111589943788  -0.013677537647  0.008710701339  -0.000108548218  0.001753240539  0.001098412790
  23  Al  5.933647005054  1.967315220393  3.883239587371  -0.338169701019  -0.047277729717  0.099439926739  0.002102144491  0.000568657713  0.000262661321
  24  Al  3.927712652667  3.874139241605  0.126060070265  -0.057104989298  0.006582678687  -0.812714472623  0.001439934433  -0.001009070831  0.002076340369
  25  Al  3.855281808841  5.966249489813  2.063917429679  0.470455577983  -0.324972331838  -0.586203745648  -0.000136274227  0.003419551469  0.002383032048
  26  Al  5.773830671773  3.995119572773  1.870799236656  0.375134986508  -0.480897617761  0.515479670815  -0.001646404339  0.002750617977  -0.001480491378
  27  Al  5.788031147265  5.890281715569  0.102872880164  0.017565298724  -0.379121008926  -0.953963117256  -0.001833654403  0.000539276266  0.001250941592
  28  Al  3.919835467920  3.950312683007  3.986699747905  -0.095872572289  -0.133030564864  -0.311623552455  0.000653678615  0.001728073088  0.001696928214
  29  Al  3.804478340713  5.875804450637  6.015864624716  0.565991459778  -0.125756932714  -0.454417004210  -0.001060224255  0.000778406995  0.004275542326
  30  Al  5.869417100628  3.786908050998  5.876227968472  -0.226822242871  0.881198613625  -0.374479812635  0.000463157311  -0.001748332210  -0.000015432857
  31  Al  5.938956185392  5.800664789205  3.879939365016  -0.566119398789  0.292043043226  0.026640130788  0.001905428845  -0.000622448036  -0.001297986876


MDSTEP:  59
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.781167092041  0.000000000000  0.000000000000
  0.000030833248  7.783111995239  0.000000000000
  -0.000106525474  -0.000399548105  7.799998731490
VIRIAL (kbar)
  33.617268237369  -0.144961582959  0.829853991779
  -0.144961582959  32.478232710126  -1.803414008055
  0.829853991779  -1.803414008055  43.210142610910
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.675775208641  7.747025390750  7.729302640684  0.576800358365  0.010739307580  -0.038396310501  -0.001880585281  -0.001170161861  -0.003065001039
  1  Al  7.738074790706  1.871827256148  1.837558911287  0.267065053953  0.360877167054  0.234312502474  -0.000405129122  -0.001518009681  -0.003468890200
  2  Al  1.877977961876  7.677060769997  1.901038128485  0.032633850541  0.818870555788  0.367557023381  -0.002132021448  -0.001880529021  -0.000529621954
  3  Al  1.870313560649  1.905715378127  7.761363602165  0.109706213968  -0.048450349480  0.028055745870  -0.002406913452  -0.001627868684  -0.002037745584
  4  Al  0.033400197810  7.698403798404  4.051877986542  0.134101308198  0.393889890381  -0.973029754488  0.001954113678  -0.002073353616  0.002422556297
  5  Al  0.015711848702  1.939034299877  5.907099702171  -0.032358452500  -0.055993644180  -0.437115952037  0.000516989365  -0.000529806698  0.000777317401
  6  Al  1.908726593190  7.782258702107  5.831660604894  0.212133673802  0.050770378196  0.271223792434  -0.001105526189  0.000842969987  0.000159265271
  7  Al  1.931377699722  1.961938177409  3.972335763004  -0.114651988092  -0.157141072886  -0.296927234443  -0.000906769200  -0.000040330517  0.002119396484
  8  Al  7.732775948065  3.987305177975  7.661207780449  0.120433486962  -0.347523231232  0.698836069008  -0.001444165321  0.002226354066  -0.002941746522
  9  Al  0.035319447325  5.820283624226  1.946975961203  -0.157197985510  -0.058725186730  0.031381371438  0.000948825923  -0.000786311270  0.000305318896
  10  Al  2.002752133775  3.796819261675  1.949386369283  -0.446435171994  0.494440967595  0.344389990017  0.000725441213  -0.001028878268  0.001302485092
  11  Al  1.961579288549  5.874695674772  0.135520541562  -0.122036165474  -0.186066910480  -0.508966620761  -0.000112897241  0.000959683982  0.004110031313
  12  Al  7.740432508941  3.929749991306  3.816669736038  0.542085048592  -0.359985371203  0.300098523602  0.000483063215  0.000587634690  -0.001723004443
  13  Al  0.008301791970  5.796314477625  5.757135229475  -0.065792666053  0.023347168199  0.523972349835  0.000083355894  -0.001365212782  -0.001800898011
  14  Al  1.916989008442  3.835223202014  5.883065397365  0.065379340386  0.153400812257  -0.339351401586  -0.001230132548  -0.002183586870  0.000029916545
  15  Al  2.032141976885  5.844499685612  3.787407547032  -0.581382065685  -0.224187309823  0.686603757827  0.001036560261  -0.000524073094  -0.002584985109
  16  Al  4.019015757728  0.135890184404  0.010801780480  -0.338400447989  -0.547917331028  0.148782197344  0.003787814961  0.003593238782  0.001311083204
  17  Al  3.760332145934  1.833458340316  1.930750313669  0.664858314825  0.409733168634  0.139785619423  -0.002292616684  -0.002795908548  -0.000459622919
  18  Al  5.917882609801  7.669590633389  1.824713689438  -0.381969736951  0.686131374667  0.694301902131  0.001230536038  -0.002580953922  -0.002517381942
  19  Al  5.863362458353  2.057313403095  7.641078392499  -0.162441690560  -0.763016528864  0.998060585773  -0.000044486579  0.001559945557  -0.003337275267
  20  Al  3.922131808171  0.125163187034  3.910773944176  -0.211565632790  -0.631327494388  0.070339056385  0.000375310906  0.002311580792  0.000330569347
  21  Al  3.923286757620  1.914226723374  5.890703268998  -0.136142716629  0.317351677771  -0.032770349280  0.001032605229  -0.000085059306  0.001851678539
  22  Al  5.837449159624  0.029138964737  5.872990481560  -0.114489983732  -0.027739869137  0.001316402025  -0.000128906641  0.001751683237  0.001100523547
  23  Al  5.929411378623  1.965844081297  3.880363591865  -0.339111993044  -0.049475377915  0.090810727958  0.002044120629  0.000560697987  0.000279969287
  24  Al  3.924937859569  3.870205506093  0.126964324354  -0.069874710671  0.011050229687  -0.828087583237  0.001430324858  -0.001008686979  0.001931867054
  25  Al  3.851808650452  5.962657823687  2.063482198262  0.478430188946  -0.329065849914  -0.599090135187  -0.000051563923  0.003365237115  0.002279642336
  26  Al  5.767892182831  3.992931668832  1.868630935866  0.390892156360  -0.500861329643  0.529234948534  -0.001579882072  0.002666114309  -0.001388678933
  27  Al  5.781968429920  5.885320614936  0.103376040282  0.020897320326  -0.384013408504  -0.979330250378  -0.001832451705  0.000471684975  0.001079393127
  28  Al  3.916676806680  3.947662032127  3.984442392557  -0.101033088746  -0.139217208784  -0.312090806663  0.000636857418  0.001705845784  0.001643012939
  29  Al  3.800596728846  5.870968625046  6.013316611074  0.566011352601  -0.125391946091  -0.463663331250  -0.000960265656  0.000756954845  0.004198145951
  30  Al  5.864425902619  3.782702959028  5.871645991339  -0.230488105484  0.905994788806  -0.387738762138  0.000422813175  -0.001590585775  -0.000083629486
  31  Al  5.934607019894  5.795220244094  3.876282225563  -0.576055065919  0.299501933667  0.037495926491  0.001805582589  -0.000570309213  -0.001293684370


MDSTEP:  60
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.774359674386  0.000000000000  0.000000000000
  0.000030276579  7.776331683892  0.000000000000
  -0.000097191253  -0.000424288215  7.794085533538
VIRIAL (kbar)
  36.776409803740  -0.135165378102  0.884831815797
  -0.135165378102  35.605186985801  -1.775651969945
  0.884831815797  -1.775651969945  46.454351913922
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.668153943956  7.739666944657  7.721908560365  0.583934518509  0.008687824676  -0.029713917214  -0.001779039975  -0.001169899498  -0.003074477074
  1  Al  7.731116457295  1.869447668876  1.834441582556  0.264339759329  0.369637997914  0.242483508773  -0.000358077411  -0.001454567481  -0.003430070904
  2  Al  1.875271993146  7.669462892115  1.899348514218  0.034377603389  0.843877173919  0.372984951679  -0.002128629214  -0.001734087141  -0.000463966044
  3  Al  1.867487607846  1.903213992595  7.754461900839  0.118976274687  -0.045973046743  0.042095020963  -0.002389389944  -0.001638330620  -0.002033720283
  4  Al  0.034358467518  7.690665002433  4.049974254926  0.126817497483  0.405577821779  -0.991592132631  0.001979831918  -0.002004323031  0.002249497637
  5  Al  0.015962062024  1.937058649421  5.902990708957  -0.038738271024  -0.052577777331  -0.447264018204  0.000511258244  -0.000540151448  0.000699068801
  6  Al  1.906519728389  7.775884202703  5.827331374061  0.227385664522  0.038567176461  0.277565590033  -0.001067559473  0.000851990737  0.000208529648
  7  Al  1.929234005321  1.960189062115  3.970370936893  -0.111982455983  -0.156375365324  -0.310538969323  -0.000928156124  -0.000068390021  0.002067399100
  8  Al  7.725302847865  3.984904797339  7.653959902294  0.122969403162  -0.353241520352  0.715684271742  -0.001424145606  0.002166330026  -0.002818466956
  9  Al  0.035757928339  5.814811136504  1.945654041665  -0.166033538700  -0.060117167621  0.025595469560  0.000921068808  -0.000797894183  0.000310752468
  10  Al  2.001344895781  3.793012935761  1.948575276513  -0.451059611570  0.491144381273  0.343803466191  0.000646037980  -0.000941944041  0.001365481073
  11  Al  1.959801032915  5.870049081546  0.137450426858  -0.115374913476  -0.194623517746  -0.534203799607  -0.000134284593  0.000926865594  0.004021258300
  12  Al  7.733930776617  3.926592064000  3.812928069681  0.544741004688  -0.371561031075  0.302447097863  0.000580879382  0.000522882084  -0.001671009595
  13  Al  0.008339701518  5.790564775503  5.751893541389  -0.068293217797  0.023945024241  0.536175437992  0.000071468043  -0.001362673314  -0.001708057188
  14  Al  1.914706373765  3.830778073218  5.878605228909  0.076701892564  0.168529785106  -0.343332694013  -0.001218925506  -0.002157446901  -0.000031115704
  15  Al  2.030860623629  5.839123921083  3.783274270750  -0.585807788581  -0.227800508619  0.711249874681  0.000933423560  -0.000565185088  -0.002462802507
  16  Al  4.017378802488  0.137544216807  0.011455892892  -0.350827812847  -0.567561145839  0.142544616768  0.003730782646  0.003497850820  0.001338589431
  17  Al  3.755927753593  1.830475013355  1.929063002563  0.674293269716  0.422295766226  0.145310338282  -0.002175622955  -0.002724891089  -0.000434628834
  18  Al  5.913305249072  7.661643299048  1.822102487445  -0.381429735245  0.709364162306  0.709952945969  0.001163755945  -0.002459303983  -0.002394552128
  19  Al  5.858212257186  2.056242586086  7.633661346576  -0.157671221631  -0.774299626805  1.028943210616  -0.000073165802  0.001424271446  -0.003159646438
  20  Al  3.918883358498  0.126169352103  3.907977632736  -0.212428427546  -0.640700158875  0.077292546711  0.000337840925  0.002200612374  0.000344139755
  21  Al  3.920371593645  1.912511833232  5.887162045294  -0.143527340797  0.323493039031  -0.042102268346  0.001008842689  -0.000027806024  0.001847025463
  22  Al  5.832279595386  0.029969445140  5.869088567571  -0.120814792088  -0.042047915155  -0.004383577772  -0.000150115749  0.001747591002  0.001101464132
  23  Al  5.925235530833  1.964397228941  3.877565944976  -0.343706907155  -0.049309202899  0.082209885907  0.001985534815  0.000552548622  0.000295754851
  24  Al  3.922216143870  3.866329612532  0.127797169290  -0.079470585061  0.015964924137  -0.842934067728  0.001418705627  -0.001007467256  0.001784528880
  25  Al  3.848436492157  5.959124986593  2.063031113790  0.489839083217  -0.335814388298  -0.613775289724  0.000034983059  0.003309894385  0.002173669621
  26  Al  5.762075427635  3.990758089710  1.866543512112  0.402551047961  -0.520315696208  0.540990354806  -0.001510829304  0.002577989057  -0.001294481612
  27  Al  5.775994300755  5.880411973626  0.103793700047  0.020622987424  -0.390690770827  -1.003846144344  -0.001830977768  0.000402975349  0.000903191981
  28  Al  3.913568689958  3.945057037083  3.982229478480  -0.102637390468  -0.145267921728  -0.312384118813  0.000619411488  0.001682500818  0.001588968233
  29  Al  3.796823543282  5.866207702547  6.010836614016  0.569471274485  -0.127637357916  -0.470817479319  -0.000859877083  0.000735311016  0.004119192369
  30  Al  5.859503204913  3.778633797036  5.867135535197  -0.237781226344  0.930430089506  -0.398688842468  0.000381440663  -0.001428248579  -0.000154066820
  31  Al  5.930296485886  5.789887404731  3.872698329647  -0.589436044826  0.304398952790  0.048248730969  0.001703533007  -0.000517003632  -0.001287442796


MDSTEP:  61
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.767677343888  0.000000000000  0.000000000000
  0.000029719152  7.769673892638  0.000000000000
  -0.000086780260  -0.000449717287  7.788321304287
VIRIAL (kbar)
  39.901965848161  -0.123694204390  0.940813239030
  -0.123694204390  38.691367828080  -1.742724460391
  0.940813239030  -1.742724460391  49.656171209898
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.660709016844  7.732430314111  7.714658869651  0.595376278781  0.006855763411  -0.020567476005  -0.001675710480  -0.001169988002  -0.003082363593
  1  Al  7.724306340593  1.867130140310  1.831380387560  0.265678756686  0.376548919016  0.251770528782  -0.000311091634  -0.001389649765  -0.003389641379
  2  Al  1.872599156043  7.662060817076  1.897728465059  0.032682385168  0.868635099417  0.379395923881  -0.002125231736  -0.001583017542  -0.000397177943
  3  Al  1.864702991016  1.900737501116  7.747711814877  0.124716229442  -0.045361379626  0.056504767370  -0.002370505246  -0.001648532902  -0.002027142371
  4  Al  0.035329533821  7.683082942023  4.048059680018  0.123702884333  0.417422214864  -1.009793077492  0.002004654190  -0.001933108877  0.002072955821
  5  Al  0.016209974919  1.935108210480  5.898954678098  -0.041193846659  -0.050744869837  -0.458175607915  0.000504730538  -0.000550041280  0.000618848937
  6  Al  1.904334764281  -0.000034987344  5.823138372389  0.238863564730  0.026673358797  0.282415072152  -0.001027157133  0.000858869423  0.000258849067
  7  Al  1.927111723494  1.958456505135  3.968454599806  -0.113011389975  -0.157825163877  -0.324357230719  -0.000949424422  -0.000096544937  0.002012887275
  8  Al  7.717965848755  3.982535314790  7.646921798643  0.129628575178  -0.359169556724  0.732331582377  -0.001403280465  0.002105195821  -0.002692050489
  9  Al  0.036182571907  5.809424580495  1.944371652625  -0.170779367756  -0.059562375326  0.020748642740  0.000892064140  -0.000809567342  0.000315240424
  10  Al  1.999929915900  3.789309951141  1.947832404111  -0.459448081596  0.487045503345  0.343841366408  0.000565373989  -0.000855565486  0.001428495166
  11  Al  1.958043985911  5.865477753763  0.139335892014  -0.112716860966  -0.200863451675  -0.558641081722  -0.000154865804  0.000892685726  0.003927937231
  12  Al  7.727602811866  3.923462531979  3.809286023454  0.551002647809  -0.383127676546  0.304599355870  0.000679614074  0.000455981473  -0.001618551966
  13  Al  0.008372448858  5.784907691503  5.746809421664  -0.066687844324  0.026593598596  0.546858350707  0.000059486013  -0.001359842104  -0.001613063931
  14  Al  1.912462000358  3.826407470833  5.874226719156  0.083837377983  0.183104463001  -0.348092786203  -0.001206055264  -0.002128623028  -0.000092997137
  15  Al  2.029560265091  5.833819341876  3.779276454786  -0.594036081717  -0.228926084353  0.735035155392  0.000829030792  -0.000606771195  -0.002336148821
  16  Al  4.015775781649  0.139150302597  0.012123204193  -0.367520051668  -0.586850311120  0.136443049481  0.003671080867  0.003398871522  0.001365020015
  17  Al  3.751643956876  1.827557626327  1.927425475640  0.678534073902  0.432760423141  0.151828364127  -0.002057266153  -0.002651732060  -0.000408529232
  18  Al  5.908789390503  7.653879484437  1.819589157919  -0.376335208871  0.732448604476  0.725953853814  0.001097400573  -0.002333366192  -0.002268751530
  19  Al  5.853143263413  2.055134506024  7.626481632169  -0.148483583874  -0.786531850901  1.059108437924  -0.000100631051  0.001286332684  -0.002976355651
  20  Al  3.915679571798  0.127120275703  3.905262985374  -0.217883210758  -0.649602787056  0.083947195067  0.000299760339  0.002087878455  0.000358941781
  21  Al  3.917507666591  1.910855488157  5.883729905555  -0.155345703161  0.327263318960  -0.052614639142  0.000983334235  0.000030404382  0.001840589082
  22  Al  5.827193854645  0.030796441128  5.865298632433  -0.123030824336  -0.056082911984  -0.011287329368  -0.000172115413  0.001740962156  0.001101276503
  23  Al  5.921125177788  1.962976678642  3.874849811965  -0.343788699590  -0.050764986553  0.073354963136  0.001926461939  0.000544275388  0.000309995932
  24  Al  3.919550696613  3.862515885205  0.128557414034  -0.093251513003  0.020335148145  -0.856524692116  0.001404983046  -0.001005418996  0.001634481481
  25  Al  3.845170334464  5.955656435836  2.062564972811  0.495979020927  -0.340302023092  -0.626950989303  0.000123205196  0.003253484478  0.002065084202
  26  Al  5.756387362796  3.988601154243  1.864539899371  0.417838722183  -0.539607237714  0.553301544164  -0.001439283859  0.002486296237  -0.001198025458
  27  Al  5.770114638424  5.875561121868  0.104123759645  0.024536208650  -0.395162951754  -1.026786963242  -0.001829179080  0.000333182814  0.000722549982
  28  Al  3.910515024068  3.942501170998  3.980065030603  -0.108392968152  -0.151640539521  -0.313106675626  0.000601286409  0.001658019063  0.001534770349
  29  Al  3.793163032785  5.861527426187  6.008430139126  0.567836867501  -0.127588831152  -0.479075947094  -0.000759205110  0.000713446293  0.004038766077
  30  Al  5.854654405800  3.774706582491  5.862701547993  -0.240370166962  0.953244235219  -0.410161029190  0.000339134538  -0.001261490896  -0.000226587241
  31  Al  5.926029510274  5.784672562060  3.869192538759  -0.597938189908  0.310784338420  0.058697371746  0.001599404267  -0.000462625310  -0.001279295716


MDSTEP:  62
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.761127877185  0.000000000000  0.000000000000
  0.000029166999  7.763146248749  0.000000000000
  -0.000075245833  -0.000475811526  7.782713719897
VIRIAL (kbar)
  42.982463198417  -0.112928989379  0.999497132684
  -0.112928989379  41.741498832705  -1.705015085142
  0.999497132684  -1.705015085142  52.803214405215
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.653449162202  7.725322930301  7.707561932610  0.600096901460  0.005013788512  -0.010771830029  -0.001570809219  -0.001170408347  -0.003088557520
  1  Al  7.717652309032  1.864877115059  1.828377907131  0.260881817177  0.385869816504  0.260342037039  -0.000264356852  -0.001323203525  -0.003347562287
  2  Al  1.869961156373  7.654864286260  1.896180428839  0.034347453551  0.892088436946  0.384993529449  -0.002121834860  -0.001427452052  -0.000329241251
  3  Al  1.861962102137  1.898287819282  7.741122233056  0.133855738147  -0.041889553572  0.071171251703  -0.002350267941  -0.001658385293  -0.002017951826
  4  Al  0.036313221539  7.675666210565  4.046136631602  0.114325705816  0.428471634332  -1.027307858888  0.002028391177  -0.001859764560  0.001893020210
  5  Al  0.016455428297  1.933185053708  5.894996445516  -0.049975320502  -0.046169139433  -0.468255254820  0.000497190186  -0.000559371735  0.000536661703
  6  Al  1.902234654799  0.000375957373  5.819087786042  0.253499053587  0.014621130279  0.287523331558  -0.000984370689  0.000863616549  0.000310114022
  7  Al  1.925012697454  1.956742305238  3.966589454781  -0.110254461737  -0.156299977788  -0.338030368832  -0.000970565630  -0.000124727613  0.001955851826
  8  Al  7.710773302204  3.980200158196  7.640102467543  0.130252621509  -0.365275847351  0.748775195003  -0.001381739099  0.002042914238  -0.002562528817
  9  Al  0.036593015912  5.804129699556  1.943130283632  -0.181319872326  -0.061425622672  0.015455607152  0.000861657287  -0.000821372625  0.000318825616
  10  Al  1.998508456397  3.785713668811  1.947159711954  -0.463459812168  0.483086409825  0.342843332636  0.000483501897  -0.000769801742  0.001491489555
  11  Al  1.956310344625  5.860986900684  0.141174944762  -0.106349513776  -0.209615109925  -0.582406978914  -0.000174666131  0.000857124433  0.003830192852
  12  Al  7.721456965236  3.920364220648  3.805747523908  0.550727897503  -0.394095312428  0.306587988809  0.000779006119  0.000386984230  -0.001565662532
  13  Al  0.008400223748  5.779349137730  5.741889476523  -0.070844817816  0.026814467817  0.557304883052  0.000047261402  -0.001356751609  -0.001516072437
  14  Al  1.910258461294  3.822116441955  5.869935219860  0.094308776249  0.197777719103  -0.352191983460  -0.001191595145  -0.002097151546  -0.000155738956
  15  Al  2.028242220452  5.828591569389  3.775419929859  -0.597886693079  -0.232506706440  0.757824918316  0.000723431037  -0.000648828655  -0.002205184333
  16  Al  4.014209274035  0.140706893089  0.012803210120  -0.378690959383  -0.605600777809  0.130284888193  0.003608816439  0.003296374197  0.001390380019
  17  Al  3.747484890167  1.824708884021  1.925840212365  0.688483623983  0.445891696740  0.157694580603  -0.001937497081  -0.002576376218  -0.000381292217
  18  Al  5.904341428721  7.646308756511  1.817176905270  -0.374481751785  0.754309639569  0.740792043308  0.001031587070  -0.002203256108  -0.002140048782
  19  Al  5.848162199172  2.053990108663  7.619549440309  -0.142444861033  -0.795397530879  1.088148894430  -0.000126767524  0.001146341894  -0.002787560460
  20  Al  3.912523902500  0.128015313859  3.902634455078  -0.217219420444  -0.658077287640  0.090411383582  0.000261204654  0.001973455720  0.000374932763
  21  Al  3.914697890572  1.909259930139  5.880411741206  -0.161141012634  0.333341406265  -0.062643585507  0.000956219255  0.000089567536  0.001832304079
  22  Al  5.822197601727  0.031618774085  5.861625859697  -0.128395272555  -0.069922014273  -0.017904130788  -0.000194820674  0.001731834538  0.001099876795
  23  Al  5.917086286645  1.961584246967  3.872218228320  -0.347540389466  -0.049763325573  0.064623083596  0.001866975561  0.000535952524  0.000322678883
  24  Al  3.916944234649  3.858768489983  0.129243974087  -0.101429317332  0.024637445460  -0.869244084724  0.001389280652  -0.001002595622  0.001481911777
  25  Al  3.842014610165  5.952257666411  2.062084649007  0.507445271975  -0.347296445630  -0.640084050381  0.000213109880  0.003195981932  0.001954021279
  26  Al  5.750835120734  3.986463084565  1.862623030838  0.429808316751  -0.558461860812  0.564717297688  -0.001365213946  0.002391083616  -0.001099338048
  27  Al  5.764335544798  5.870773420335  0.104364252819  0.025721822100  -0.401677878320  -1.048418104456  -0.001826923462  0.000262319901  0.000537720532
  28  Al  3.907519243260  3.939997769658  3.977952925546  -0.108423724273  -0.158025487370  -0.313861957107  0.000582621726  0.001632368156  0.001480377139
  29  Al  3.789618894065  5.856933581083  6.006102429309  0.571847695508  -0.130067004856  -0.486903364964  -0.000658199404  0.000691338951  0.003956803274
  30  Al  5.849885171777  3.770927086295  5.858348765816  -0.246096322438  0.975213295501  -0.420374325497  0.000296033590  -0.001090526786  -0.000301126750
  31  Al  5.921811302144  5.779581979286  3.865769578705  -0.609649172570  0.314429995918  0.068903632249  0.001493342023  -0.000407284377  -0.001269289233


MDSTEP:  63
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.754718823263  0.000000000000  0.000000000000
  0.000028625532  7.756756178114  0.000000000000
  -0.000062539950  -0.000502545410  7.777270212896
VIRIAL (kbar)
  46.016259808408  -0.102872335900  1.058643251531
  -0.102872335900  44.740144702286  -1.660830886358
  1.058643251531  -1.660830886358  55.895220255440
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.646382291204  7.718352023353  7.700625926418  0.610189777877  0.002967145939  -0.001078202042  -0.001464453829  -0.001171179420  -0.003093006341
  1  Al  7.711161457056  1.862691205521  1.825436598181  0.261447367098  0.392321571410  0.269837952291  -0.000217942317  -0.001255266973  -0.003303811512
  2  Al  1.867359942658  7.647882729134  1.894706722887  0.033786902051  0.914394116989  0.391134829176  -0.002118335938  -0.001267603321  -0.000260178970
  3  Al  1.859267581497  1.895867068668  7.734701822995  0.140975445855  -0.040862314442  0.085291852846  -0.002328551576  -0.001667849226  -0.002006170587
  4  Al  0.037308797603  7.668423131964  4.044207411170  0.110032314479  0.439142289241  -1.043797635909  0.002050935134  -0.001784391553  0.001709839963
  5  Al  0.016697698197  1.931291445262  5.891120735139  -0.053492757508  -0.044174664152  -0.478856266621  0.000488540735  -0.000568127516  0.000452532820
  6  Al  1.900192308587  0.000787913688  5.815185644036  0.265362596780  0.002665721141  0.291616083318  -0.000939162160  0.000866223605  0.000362257451
  7  Al  1.922939051249  1.955048476382  3.964778094126  -0.110065776325  -0.157502354341  -0.351029777705  -0.000991470142  -0.000152916078  0.001896362432
  8  Al  7.703732793886  3.977902638768  7.633510650451  0.136625163056  -0.370994892444  0.764315262863  -0.001359545587  0.001979501535  -0.002429996794
  9  Al  0.036988379082  5.798931869415  1.941931323844  -0.186331224028  -0.060343566948  0.011034755283  0.000829822248  -0.000833262625  0.000321544964
  10  Al  1.997082110597  3.782227365560  1.946559009824  -0.469874881934  0.479104580972  0.342076342359  0.000400596281  -0.000684642437  0.001554391112
  11  Al  1.954602579383  5.856581354874  0.142965649811  -0.102583403404  -0.215471762720  -0.605621160141  -0.000193585410  0.000820213535  0.003728128089
  12  Al  7.715500780304  3.917299906555  3.802316363371  0.555355654073  -0.404454200547  0.308897778064  0.000878909870  0.000315995548  -0.001512326131
  13  Al  0.008422700788  5.773894659116  5.737140112334  -0.069659627947  0.030145371912  0.566421400591  0.000034756230  -0.001353339583  -0.001417220261
  14  Al  1.908098571722  3.817909943280  5.865735956125  0.102172764863  0.212029135001  -0.356585860022  -0.001175477284  -0.002063056999  -0.000219308967
  15  Al  2.026908139016  5.823445853352  3.771710320967  -0.604449840857  -0.233055657831  0.779807773391  0.000616771121  -0.000691305976  -0.002070064955
  16  Al  4.012682236818  0.142212485015  0.013495403133  -0.395313080310  -0.624566403594  0.123694460034  0.003543990329  0.003190381446  0.001414623660
  17  Al  3.743455089263  1.821931681807  1.924309574088  0.692214438800  0.456254088229  0.164128612493  -0.001816358363  -0.002498828405  -0.000352923973
  18  Al  5.899967294851  7.638940376186  1.814868774320  -0.369299122635  0.775274352627  0.755768979683  0.000966323229  -0.002069156554  -0.002008531735
  19  Al  5.843275334102  2.052810586853  7.612874625418  -0.133567704018  -0.806098292313  1.115512394538  -0.000151601461  0.001004432935  -0.002593504809
  20  Al  3.909420237227  0.128853857741  3.900096356725  -0.221841064927  -0.666626675381  0.097063623126  0.000222247577  0.001857372397  0.000392113512
  21  Al  3.911945604450  1.907727560954  5.877212304514  -0.172547229901  0.336494171943  -0.073397889324  0.000927532054  0.000149629378  0.001822145826
  22  Al  5.817296048814  0.032435284827  5.858075276175  -0.130792884678  -0.083832301186  -0.025631088830  -0.000218248586  0.001720215250  0.001097189450
  23  Al  5.913124324210  1.960221920578  3.869674119769  -0.348070536413  -0.051427026027  0.056542425436  0.001807033914  0.000527561041  0.000333871011
  24  Al  3.914399861593  3.855091485496  0.129855836184  -0.115317127153  0.028961822465  -0.881386749113  0.001371585766  -0.000998999949  0.001326946435
  25  Al  3.838974118201  5.948933797499  2.061590954382  0.512426083140  -0.351483838355  -0.652064360121  0.000304595558  0.003137410225  0.001840584523
  26  Al  5.745425369106  3.984346038902  1.860795702969  0.443641522694  -0.576257100829  0.576448573157  -0.001288745777  0.002292479378  -0.000998468674
  27  Al  5.758662706272  5.866053893115  0.104513322233  0.029482250210  -0.404942780546  -1.068771732000  -0.001824222847  0.000190492741  0.000348931036
  28  Al  3.904585179519  3.937550067552  3.975896912836  -0.113903384888  -0.164141317910  -0.314328664762  0.000563441115  0.001605568619  0.001425810729
  29  Al  3.786195219682  5.852431576070  6.003858580426  0.569720483301  -0.129774291967  -0.495373854196  -0.000556903106  0.000669009940  0.003873281547
  30  Al  5.845200717184  3.767300910820  5.854081851242  -0.248740827238  0.995634355090  -0.430819424393  0.000252131714  -0.000915564296  -0.000377595176
  31  Al  5.917646609126  5.774621526658  3.862434031637  -0.617582290112  0.320620718573  0.079149566531  0.001385393813  -0.000350996660  -0.001257438794


MDSTEP:  64
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.748457503813  0.000000000000  0.000000000000
  0.000028099531  7.750510869123  0.000000000000
  -0.000048615506  -0.000529890872  7.771997977866
VIRIAL (kbar)
  48.993732081894  -0.090538130160  1.119874105099
  -0.090538130160  47.690749085409  -1.612420755257
  1.119874105099  -1.612420755257  58.919496966753
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.639516570861  7.711524569824  7.693858780051  0.615259034216  0.001523205605  0.009202030178  -0.001356610433  -0.001172265336  -0.003095663128
  1  Al  7.704841132987  1.860574711704  1.822558941985  0.257267208831  0.400879446277  0.277944739293  -0.000171793088  -0.001185905661  -0.003258427290
  2  Al  1.864797206415  7.641125242387  1.893309656938  0.035509299603  0.936027020964  0.395927912515  -0.002114728601  -0.001103628005  -0.000190062096
  3  Al  1.856621831270  1.893477094650  7.728458965277  0.150036370927  -0.037510228030  0.099757350942  -0.002305360062  -0.001676933966  -0.001991812793
  4  Al  0.038315984102  7.661361762859  4.042274284590  0.101145867519  0.449588552315  -1.059379683697  0.002072327519  -0.001707040541  0.001523584565
  5  Al  0.016936530104  1.929429362481  5.887332041951  -0.061801091937  -0.039695827975  -0.487887771371  0.000478822948  -0.000576316414  0.000366554162
  6  Al  1.898210607118  0.001199851257  5.811437708691  0.279061362470  -0.008889503613  0.296420006847  -0.000891611890  0.000866732033  0.000415252600
  7  Al  1.920892620667  1.953376729164  3.963023049270  -0.107379204541  -0.156495441881  -0.363895383503  -0.001012143400  -0.000181156786  0.001834487974
  8  Al  7.696852195382  3.975645983627  7.627154775755  0.138239804927  -0.377519259018  0.779559344668  -0.001336609843  0.001914918016  -0.002294557897
  9  Al  0.037368272584  5.793836550875  1.940776181278  -0.195678564082  -0.061311452286  0.005540502264  0.000796663534  -0.000845156944  0.000323379333
  10  Al  1.995652196056  3.778854202229  1.946032072138  -0.473350377575  0.474403530911  0.339635086430  0.000316703506  -0.000600154189  0.001617069446
  11  Al  1.952922869644  5.852266028153  0.144706117691  -0.096533305618  -0.223111710793  -0.628236077468  -0.000211650809  0.000782050109  0.003621839774
  12  Al  7.709742015715  3.914272300196  3.798996246283  0.554838122246  -0.414819361362  0.311100320204  0.000979303780  0.000243066717  -0.001458522646
  13  Al  0.008440030419  5.768549902293  5.732567442373  -0.072833954581  0.031380383183  0.575889284244  0.000022057970  -0.001349514044  -0.001316592727
  14  Al  1.905984856072  3.813792777665  5.861633945114  0.111679864446  0.225788383226  -0.359720550511  -0.001157785193  -0.002026416872  -0.000283621315
  15  Al  2.025559365047  5.818387535549  3.768153067536  -0.608040253777  -0.235291894447  0.800741537351  0.000509072538  -0.000734082861  -0.001930951835
  16  Al  4.011197024343  0.143665551971  0.014199238770  -0.408129080069  -0.642409093806  0.117243144145  0.003476450209  0.003080968350  0.001437722600
  17  Al  3.739558425074  1.819228611782  1.922835914602  0.699939121376  0.468696673562  0.169475301518  -0.001694046298  -0.002419146073  -0.000323469709
  18  Al  5.895673043441  7.631783292694  1.812667768463  -0.365975543615  0.795683283137  0.768901348673  0.000901740590  -0.001931191084  -0.001874349588
  19  Al  5.838489018637  2.051596906350  7.606466662223  -0.126155170747  -0.813555271270  1.141897997202  -0.000175008442  0.000860729080  -0.002394420157
  20  Al  3.906371874217  0.129635288105  3.897652903824  -0.222123705081  -0.674119772694  0.103402090425  0.000182803784  0.001739713147  0.000410473779
  21  Al  3.909253530068  1.906260466200  5.874136104636  -0.179583691379  0.341337057094  -0.083161486769  0.000897159142  0.000210480430  0.001810135096
  22  Al  5.812494501122  0.033244809996  5.854651631204  -0.134879692350  -0.097068469761  -0.032586270337  -0.000242285651  0.001706154209  0.001093182221
  23  Al  5.909244871916  1.958891389489  3.867220352299  -0.350700275516  -0.050975151125  0.048293594172  0.001746735768  0.000519051360  0.000343613646
  24  Al  3.911920056395  3.851488813326  0.130392031584  -0.124891643258  0.032597473010  -0.892455413845  0.001351770357  -0.000994690334  0.001169730683
  25  Al  3.836052967484  5.945690019732  2.061084739599  0.520925567688  -0.357470475030  -0.664500134654  0.000397398714  0.003077856282  0.001724833387
  26  Al  5.740164774045  3.982252148448  1.859060685443  0.455518351860  -0.594332850516  0.586508989929  -0.001209884046  0.002190547858  -0.000895536236
  27  Al  5.753101868138  5.861407673406  0.104569216142  0.032015708217  -0.410019021266  -1.087689795791  -0.001820954955  0.000117828421  0.000156420749
  28  Al  3.901716062571  3.935161204956  3.973900646334  -0.115054385454  -0.170887246620  -0.314981595846  0.000543643431  0.001577585790  0.001371079647
  29  Al  3.782895443297  5.848026890585  6.001703449208  0.571447900272  -0.131348581101  -0.502918356387  -0.000455519756  0.000646539286  0.003788222925
  30  Al  5.840606358587  3.763833410652  5.849905264148  -0.252676183798  1.014504230537  -0.439232982876  0.000207588041  -0.000736875165  -0.000455833005
  31  Al  5.913540340771  5.769797127606  3.859190364241  -0.627097461219  0.324421372773  0.089204922055  0.001275752939  -0.000293746811  -0.001243755275


MDSTEP:  65
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.742350992954  0.000000000000  0.000000000000
  0.000027594659  7.744417287455  0.000000000000
  -0.000033424623  -0.000557818529  7.766903944534
VIRIAL (kbar)
  51.913236170773  -0.079028325735  1.183129906953
  -0.079028325735  50.574936910386  -1.558007296035
  1.183129906953  -1.558007296035  61.878104628597
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.632859478190  7.704847378439  7.687268209448  0.624848697131  -0.000422733441  0.019531974343  -0.001247321506  -0.001173656761  -0.003096467382
  1  Al  7.698698016057  1.858530069520  1.819747231364  0.257754042900  0.406834903902  0.288018862804  -0.000125916451  -0.001115161472  -0.003211354740
  2  Al  1.862274782370  7.634600647186  1.891991357627  0.034203114917  0.956081341085  0.402360227403  -0.002111078333  -0.000935721765  -0.000118863829
  3  Al  1.854027367034  1.891119895264  7.722401806545  0.156186182869  -0.036369999610  0.113853358320  -0.002280777106  -0.001685627966  -0.001974876893
  4  Al  0.039334095367  7.654489920729  4.040339457063  0.096797498978  0.459393542226  -1.074094128142  0.002092561020  -0.001627785877  0.001334409950
  5  Al  0.017171241578  1.927600949534  5.883634798276  -0.065635136942  -0.037547118422  -0.498539034117  0.000468007020  -0.000583923754  0.000278719615
  6  Al  1.896292536518  0.001610777083  5.807849609984  0.289050638805  -0.020501135651  0.298905627950  -0.000841884280  0.000865169620  0.000468956063
  7  Al  1.918875402376  1.951728915218  3.961326728470  -0.108128669076  -0.157981920274  -0.376391310039  -0.001032668447  -0.000209475258  0.001770270356
  8  Al  7.690138707370  3.973433235280  7.621042987178  0.144827931833  -0.383356799721  0.794005396022  -0.001312911060  0.001849150846  -0.002156306553
  9  Al  0.037731919411  5.788848854017  1.939666102106  -0.200269114088  -0.059636870532  0.001918875368  0.000762216759  -0.000857002162  0.000324399064
  10  Al  1.994220227931  3.775597168528  1.945580460890  -0.479956052962  0.469941294084  0.338583322075  0.000231805116  -0.000516380443  0.001679497572
  11  Al  1.951273536798  5.848045504346  0.146394507950  -0.094013105429  -0.228086690987  -0.649706000996  -0.000228972564  0.000742710840  0.003511478165
  12  Al  7.704187728506  3.911283997681  3.795790737959  0.558459530181  -0.424242147043  0.313489515614  0.001080097818  0.000168279049  -0.001404244080
  13  Al  0.008451973935  5.763320160401  5.728177417618  -0.071450376337  0.035408666572  0.582808996618  0.000009184064  -0.001345211249  -0.001214384404
  14  Al  1.903919925220  3.809769594460  5.857634114533  0.117586314406  0.239339362397  -0.364274787557  -0.001138691370  -0.001987289704  -0.000348690567
  15  Al  2.024197442391  5.813421638411  3.764753389237  -0.614977422625  -0.234718374643  0.820591889952  0.000400300250  -0.000777058662  -0.001788031315
  16  Al  4.009756204818  0.145064663814  0.014914186604  -0.425325880255  -0.660501457665  0.110677403241  0.003406139464  0.002968207179  0.001459676889
  17  Al  3.735799007966  1.816602399804  1.921421425625  0.702077370512  0.478522509694  0.176390365413  -0.001570701086  -0.002337373274  -0.000292885246
  18  Al  5.891464374953  7.624846188812  1.810576666536  -0.358571209692  0.814774994410  0.782850639199  0.000838038188  -0.001789521283  -0.001737591303
  19  Al  5.833809286117  2.050350262189  7.600334682603  -0.115133730453  -0.822570569246  1.166556676059  -0.000196794947  0.000715378737  -0.002190543080
  20  Al  3.903382374271  0.130359075674  3.895308150217  -0.227233921364  -0.681906909692  0.109657456046  0.000142828865  0.001620543323  0.000429979015
  21  Al  3.906624655744  1.904860830750  5.871187540506  -0.191369881397  0.343432569316  -0.094626489930  0.000865063986  0.000272026899  0.001796205436
  22  Al  5.807797926691  0.034046247639  5.851359544489  -0.135153165528  -0.110509002981  -0.041437971869  -0.000266742471  0.001689689504  0.001087752520
  23  Al  5.905453135661  1.957594477543  3.864859645467  -0.349239967344  -0.052736946756  0.040529681011  0.001686257826  0.000510414261  0.000351933288
  24  Al  3.909507559751  3.847964241871  0.130851679618  -0.139325062941  0.036432375795  -0.902395047915  0.001329782431  -0.000989709366  0.001010459598
  25  Al  3.833255463016  5.942531194102  2.060566742654  0.523552487755  -0.360896632312  -0.674579029516  0.000491310194  0.003017385197  0.001606935325
  26  Al  5.735059645135  3.980183404445  1.857420537463  0.470093406745  -0.611011062403  0.597880726557  -0.001128558944  0.002085383888  -0.000790570883
  27  Al  5.747658480966  5.856839562036  0.104530301645  0.038033387671  -0.411915888145  -1.104793457516  -0.001816916013  0.000044447986  -0.000039522446
  28  Al  3.898915385301  3.932834154224  3.971967627835  -0.120962132489  -0.177105425492  -0.315727282586  0.000523189359  0.001548408159  0.001316158426
  29  Al  3.779723225766  5.843724670193  5.999641772305  0.567826031750  -0.130387908919  -0.512188690888  -0.000354182749  0.000623986047  0.003701552807
  30  Al  5.836107110498  3.760529699071  5.845823443619  -0.252571560976  1.031994010809  -0.448956722235  0.000162647701  -0.000554716727  -0.000535776870
  31  Al  5.909497075536  5.765114328117  3.856042893959  -0.631980246558  0.330250023645  0.099098959310  0.001164689571  -0.000235565810  -0.001228267598


MDSTEP:  66
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.736406118734  0.000000000000  0.000000000000
  0.000027115855  7.738482133563  0.000000000000
  -0.000016918684  -0.000586296818  7.761994790564
VIRIAL (kbar)
  54.765080265103  -0.067264682447  1.248133252314
  -0.067264682447  53.398675924584  -1.498745201895
  1.248133252314  -1.498745201895  64.756149533085
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.626418653633  7.698326949940  7.680861682443  0.630404981591  -0.002536142324  0.029802215326  -0.001136541183  -0.001175413248  -0.003095416393
  1  Al  7.692738959095  1.856559420093  1.817003874120  0.254837482744  0.414295309469  0.295874762915  -0.000080199710  -0.001043130240  -0.003162613203
  2  Al  1.859794172496  7.628317366990  1.890754038881  0.036965359890  0.974343066834  0.406224932090  -0.002107291010  -0.000764180950  -0.000046666539
  3  Al  1.851486384124  1.888797206194  7.716538208620  0.166431171048  -0.033095771809  0.127398631023  -0.002254693900  -0.001693936732  -0.001955441519
  4  Al  0.040362852569  7.647815105351  4.038405075641  0.088934815972  0.468301206121  -1.087079556166  0.002111724812  -0.001546762335  0.001142546020
  5  Al  0.017401550040  1.925808077121  5.880033098081  -0.072898632068  -0.033529113822  -0.506701059669  0.000456184924  -0.000590989851  0.000189105487
  6  Al  1.894440692407  0.002019695215  5.804426584370  0.302558509721  -0.032310921596  0.303316854863  -0.000789993438  0.000861510667  0.000523332821
  7  Al  1.916889023393  1.950106596463  3.959691444100  -0.104615211622  -0.157275974937  -0.387829901227  -0.001052970513  -0.000237898514  0.001703834277
  8  Al  7.683599730386  3.971267363771  7.615183111964  0.148179878274  -0.389152516245  0.807553639346  -0.001288292336  0.001782263075  -0.002015391386
  9  Al  0.038078965913  5.783973926175  1.938602437190  -0.207747923252  -0.059500170185  -0.003696362179  0.000726647146  -0.000868698979  0.000324592274
  10  Al  1.992787375710  3.772459148333  1.945205802766  -0.481584662682  0.465818503310  0.334804060326  0.000146065029  -0.000433270141  0.001741554183
  11  Al  1.949656523562  5.843924404726  0.148029077612  -0.087177556580  -0.234716342146  -0.671115689351  -0.000245479297  0.000702284075  0.003397145717
  12  Al  7.698845104927  3.908337544269  3.792703297335  0.558230762128  -0.432901500808  0.316259078080  0.001181317534  0.000091782925  -0.001349438913
  13  Al  0.008458699438  5.758210779277  5.723975577287  -0.072960928427  0.038001897012  0.591122660552  -0.000003716927  -0.001340308293  -0.001110697007
  14  Al  1.901906007366  3.805844894884  5.853741072662  0.127440345417  0.252971333698  -0.366402151521  -0.001118162419  -0.001945682913  -0.000414426749
  15  Al  2.022823548391  5.808553235515  3.761516289632  -0.617110846803  -0.235814916366  0.839603472499  0.000290583137  -0.000820131009  -0.001641471405
  16  Al  4.008361828705  0.146408362660  0.015639707514  -0.439794486219  -0.678224062743  0.103477180407  0.003332905129  0.002852103119  0.001480417374
  17  Al  3.732180331984  1.814055476190  1.920068377518  0.707302317255  0.490247081369  0.180956088734  -0.001446544462  -0.002253570500  -0.000261239301
  18  Al  5.887347166217  7.618137371614  1.808598264210  -0.354908340277  0.832237434866  0.793862558106  0.000775247013  -0.001644405209  -0.001598443945
  19  Al  5.829242307086  2.049071638588  7.594487421839  -0.107988150321  -0.828760402881  1.189216969524  -0.000216982894  0.000568493302  -0.001982202079
  20  Al  3.900454741857  0.131024659763  3.893066017166  -0.228819312211  -0.689418920380  0.116232180402  0.000102205594  0.001499858684  0.000450651227
  21  Al  3.904061421144  1.903530532360  5.868370669614  -0.199896037093  0.347140359020  -0.103820319799  0.000831110802  0.000334167818  0.001780404915
  22  Al  5.803211449384  0.034838478925  5.848203277056  -0.139046556056  -0.123738507199  -0.048405234783  -0.000291602088  0.001670817885  0.001080897204
  23  Al  5.901754499683  1.956332745011  3.862594637104  -0.351804798974  -0.052890875085  0.033554374036  0.001625604866  0.000501595117  0.000358942057
  24  Al  3.907164553871  3.844521424697  0.131233992396  -0.150832556509  0.040453155024  -0.912115131999  0.001305445881  -0.000984021454  0.000849252318
  25  Al  3.830585265983  5.939462209024  2.060037843304  0.528584205805  -0.366166700983  -0.686172044320  0.000586020805  0.002956058279  0.001486963496
  26  Al  5.730116352142  3.978141786134  1.855877877757  0.480261275866  -0.626791079721  0.606523801859  -0.001044919957  0.001977188040  -0.000683697611
  27  Al  5.742338121866  5.852354441331  0.104395098250  0.040453707445  -0.415051657530  -1.120900857559  -0.001812114049  -0.000029476034  -0.000238649307
  28  Al  3.896186091342  3.930571801974  3.970101221756  -0.123816799903  -0.183086632391  -0.315822573375  0.000501925475  0.001518101826  0.001261096504
  29  Al  3.776681632021  5.839530088622  5.997677938625  0.567038522453  -0.131276423877  -0.519298492010  -0.000253117074  0.000601410984  0.003613307123
  30  Al  5.831708162201  3.757394643833  5.841840518651  -0.256221504841  1.048281176295  -0.455520991071  0.000117335813  -0.000369315731  -0.000617262308
  31  Al  5.905521615988  5.760578660652  3.852995798116  -0.640399031773  0.334148110012  0.109096904943  0.001052299608  -0.000176443660  -0.001210978429


MDSTEP:  67
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.730629443775  0.000000000000  0.000000000000
  0.000026667867  7.732711865115  0.000000000000
  0.000000951410  -0.000615292638  7.757276909897
VIRIAL (kbar)
  57.547407249425  -0.055130898235  1.313526143582
  -0.055130898235  56.149021866680  -1.435423616800
  1.313526143582  -1.435423616800  67.552554223164
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.620201117903  7.691969528726  7.674646377906  0.637098802795  -0.004554358170  0.040490201201  -0.001024526349  -0.001177540996  -0.003092474593
  1  Al  7.686970247968  1.854664982428  1.814331011778  0.253300453021  0.420752869070  0.304986106299  -0.000034824183  -0.000969764942  -0.003112285847
  2  Al  1.857357176441  7.622283430849  1.889599618285  0.038065397353  0.991691546280  0.410971084709  -0.002103150193  -0.000589243032  0.000026379414
  3  Al  1.849001379498  1.886510894227  7.710875701046  0.174959664011  -0.030455989767  0.141119796054  -0.002226894709  -0.001701724666  -0.001933536686
  4  Al  0.041401664031  7.641344498056  4.036473289255  0.082398847625  0.476951570321  -1.099231171922  0.002129620906  -0.001464070628  0.000948220247
  5  Al  0.017626866013  1.924052723029  5.876531040094  -0.078948256486  -0.030166848746  -0.515776471091  0.000443157121  -0.000597405280  0.000097851509
  6  Al  1.892657921387  0.002425593454  5.801173830601  0.313943511696  -0.044021496173  0.306022943573  -0.000735811661  0.000855743375  0.000578402578
  7  Al  1.914935424618  1.948511469294  3.958119457683  -0.102937866719  -0.157454614875  -0.399154359669  -0.001072831583  -0.000266309645  0.001635281861
  8  Al  7.677242111875  3.969151219629  7.609582621355  0.153066324167  -0.394951332500  0.820467716096  -0.001262904273  0.001714256219  -0.001871946794
  9  Al  0.038408798445  5.779216594877  1.937586288483  -0.213773882243  -0.058261149176  -0.008151537569  0.000689824640  -0.000880285736  0.000323883343
  10  Al  1.991355183027  3.769442939646  1.944909413136  -0.484664380501  0.461070379072  0.331658366471  0.000059797700  -0.000350849605  0.001803050157
  11  Al  1.948074090882  5.839907018625  0.149608083043  -0.082230705225  -0.240057668783  -0.691677014888  -0.000260952701  0.000660735196  0.003278918725
  12  Al  7.693720727253  3.905435429210  3.789737279030  0.558915865811  -0.441244609034  0.319050221887  0.001282699860  0.000013673024  -0.001294070439
  13  Al  0.008460115825  5.753226795811  5.719967378209  -0.072951749545  0.041695580311  0.597504273773  -0.000016768022  -0.001334833567  -0.001005577438
  14  Al  1.899945618328  3.802023068730  5.849959428229  0.135077066784  0.266258837025  -0.369449260268  -0.001096041202  -0.001901616180  -0.000480694981
  15  Al  2.021439217501  5.803787067606  3.758446563190  -0.620795844252  -0.235576233080  0.857759523672  0.000180210992  -0.000863329256  -0.001491420201
  16  Al  4.007016053761  0.147695218151  0.016375207023  -0.455893547262  -0.695670737811  0.096192831955  0.003256840237  0.002732708573  0.001499877539
  17  Al  3.728706041272  1.811590384865  1.918778761316  0.709970046394  0.501059181009  0.186648970050  -0.001321527677  -0.002167646008  -0.000228640196
  18  Al  5.883326756730  7.611664766985  1.806735031403  -0.348502394933  0.848834033452  0.804992893024  0.000713278524  -0.001496061105  -0.001457157518
  19  Al  5.824793705493  2.047762205807  7.588933164004  -0.098326161125  -0.834745062163  1.210383250351  -0.000235691947  0.000420342278  -0.001769705576
  20  Al  3.897592161794  0.131631498822  3.890930313519  -0.232140315577  -0.696365678188  0.122686613744  0.000061093254  0.001377732049  0.000472509079
  21  Al  3.901566423313  1.902271536548  5.865689539010  -0.210062172629  0.349453458180  -0.114320845471  0.000795441889  0.000396923000  0.001762817029
  22  Al  5.798739669603  0.035620404671  5.845187045272  -0.140504479218  -0.136798150516  -0.056718069776  -0.000316970735  0.001649569615  0.001072662450
  23  Al  5.898153786087  1.955107835524  3.860427894669  -0.351777031334  -0.053853576902  0.026586572603  0.001564647834  0.000492664920  0.000364709498
  24  Al  3.904893348672  3.841163910594  0.131538192541  -0.164058631985  0.044263546049  -0.920445706051  0.001278865364  -0.000977627616  0.000686251688
  25  Al  3.828046124634  5.936487603314  2.059498708209  0.530858599292  -0.370370039335  -0.696098140226  0.000681499509  0.002893803403  0.001364929653
  26  Al  5.725340675957  3.976129227080  1.854435016138  0.491990728522  -0.642043664183  0.615637847725  -0.000959218589  0.001866083468  -0.000575116910
  27  Al  5.737145847570  5.847956896964  0.104162203857  0.045320128828  -0.416648037598  -1.135135568463  -0.001806649975  -0.000103917473  -0.000440704766
  28  Al  3.893531263530  3.928376933969  3.968304705207  -0.128469400635  -0.189271765821  -0.316090173236  0.000479962886  0.001486667579  0.001205936359
  29  Al  3.773773853598  5.835447972196  5.995816311859  0.563752177093  -0.131005320524  -0.527482150834  -0.000152293165  0.000578751945  0.003523580357
  30  Al  5.827414166296  3.754432893912  5.837960683747  -0.257031981489  1.062853747586  -0.462440399028  0.000071570212  -0.000180929416  -0.000700039114
  31  Al  5.901618243729  5.756195306801  3.850053122097  -0.645648812237  0.338631584987  0.119011655302  0.000938548348  -0.000116499490  -0.001191883513


MDSTEP:  68
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.725027267030  0.000000000000  0.000000000000
  0.000026255302  7.727112669834  0.000000000000
  0.000020233965  -0.000644771800  7.752756418101
VIRIAL (kbar)
  60.249340219650  -0.043804743081  1.379057590790
  -0.043804743081  58.828914813758  -1.366924281554
  1.379057590790  -1.366924281554  70.255521253800
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.614213735064  7.685781098924  7.668629234022  0.639721724553  -0.005560292305  0.052063454994  -0.000911537748  -0.001179940679  -0.003087521904
  1  Al  7.681398030678  1.852848822844  1.811730831734  0.248239340320  0.428796200981  0.312481672006  0.000010017718  -0.000895011391  -0.003060402171
  2  Al  1.854965379577  7.616506525577  1.888530026869  0.041591349454  1.008106646478  0.414329492734  -0.002098586137  -0.000411069203  0.000100228919
  3  Al  1.846574631642  1.884262702816  7.705421551638  0.185578049825  -0.025878129815  0.155098686326  -0.002197342986  -0.001708873529  -0.001909120215
  4  Al  0.042450057221  7.635084992162  4.034546170987  0.072367832633  0.485302491361  -1.110751739926  0.002146052801  -0.001379758237  0.000751562465
  5  Al  0.017846707141  1.922336739368  5.873132427447  -0.088704152011  -0.024698168273  -0.522942465020  0.000428699100  -0.000603039257  0.000005045861
  6  Al  1.890946816438  0.002827469455  5.798096189239  0.327186774472  -0.054763906068  0.309366702594  -0.000679359716  0.000847960280  0.000634069771
  7  Al  1.913016315476  1.946945082408  3.956612897997  -0.098559490602  -0.155811839702  -0.410414276077  -0.001092173067  -0.000294624747  0.001564626685
  8  Al  7.671072573341  3.967087515193  7.604248659891  0.154258060250  -0.401917999914  0.833148569837  -0.001236938733  0.001645023700  -0.001726048141
  9  Al  0.038720931008  5.774581583495  1.936618792224  -0.222893688347  -0.058586490662  -0.013425031403  0.000651600703  -0.000891803179  0.000322301714
  10  Al  1.989924993015  3.766551155126  1.944692597806  -0.484731606499  0.455605785229  0.326912327864  -0.000026857634  -0.000269239778  0.001863896920
  11  Al  1.946528263827  5.835997545851  0.151129849921  -0.075138436781  -0.246636883814  -0.710846976812  -0.000275368279  0.000618066897  0.003156992892
  12  Al  7.688821000911  3.902580031628  3.786895904115  0.555438958598  -0.449458405186  0.321437326950  0.001383953358  -0.000066012465  -0.001238172178
  13  Al  0.008456266425  5.748373144179  5.716157901750  -0.076231872975  0.043647951895  0.603985223486  -0.000030127726  -0.001328842921  -0.000899188634
  14  Al  1.898041010101  3.798308342923  5.846293495175  0.144370718062  0.278392037275  -0.371077637435  -0.001072375343  -0.001855219795  -0.000547450311
  15  Al  2.020045772816  5.799127790614  3.755548796883  -0.621405864199  -0.236563091661  0.873971764581  0.000069319482  -0.000906642977  -0.001338125088
  16  Al  4.005720755844  0.148923818043  0.017120084384  -0.468929458266  -0.711220267717  0.089429276876  0.003178068055  0.002610212846  0.001518094131
  17  Al  3.725379426425  1.809209525957  1.917554600941  0.715723317789  0.513299749513  0.190910382451  -0.001195602235  -0.002079550165  -0.000195114335
  18  Al  5.879408529305  7.605435961470  1.804989387112  -0.344280585375  0.864694288450  0.814152922967  0.000652183465  -0.001344627860  -0.001313896053
  19  Al  5.820469130257  2.046423077956  7.583679792907  -0.090733275949  -0.837788057302  1.230239785731  -0.000252880282  0.000271206111  -0.001553301117
  20  Al  3.894797529159  0.132179095340  3.888904699146  -0.231961064482  -0.702169051878  0.128314535492  0.000019649191  0.001254314192  0.000495468715
  21  Al  3.899141978397  1.901085620885  5.863147869294  -0.216539460960  0.353101446078  -0.123387416221  0.000758238149  0.000460287372  0.001743450542
  22  Al  5.794387205933  0.036390940978  5.842314735992  -0.143951676588  -0.148468707815  -0.064123503550  -0.000342808868  0.001626080424  0.001063007132
  23  Al  5.894655846933  1.953921252897  3.858361848041  -0.354272633997  -0.053117180096  0.019588828832  0.001503391967  0.000483702926  0.000369232027
  24  Al  3.902695967265  3.837895094743  0.131763617480  -0.173674935750  0.046712941510  -0.927438979845  0.001250206909  -0.000970667251  0.000521700963
  25  Al  3.825641413528  5.933611805088  2.058950076330  0.535623691877  -0.375787073208  -0.706046262084  0.000777722775  0.002830604860  0.001240979244
  26  Al  5.720738343474  3.974147567547  1.853094241098  0.501346116486  -0.657416795958  0.622990059699  -0.000871524933  0.001752102534  -0.000464943197
  27  Al  5.732086736178  5.843651445641  0.103830372760  0.048751934113  -0.419448472046  -1.147180049698  -0.001800431370  -0.000178846884  -0.000645326346
  28  Al  3.890953690414  3.926252181495  3.966581196991  -0.129611745357  -0.196078077473  -0.316817587086  0.000457453776  0.001454029508  0.001150621301
  29  Al  3.771002731977  5.831483047884  5.994060945019  0.563463746454  -0.132252119147  -0.534865572811  -0.000051666941  0.000555976373  0.003432345604
  30  Al  5.823229828466  3.751648820640  5.834187888639  -0.259441671230  1.074960180767  -0.467083839428  0.000025461517  0.000010071354  -0.000783935706
  31  Al  5.897791319230  5.751969301894  3.847218765458  -0.652599995519  0.341001290502  0.127980323977  0.000823565345  -0.000055869055  -0.001171072571


MDSTEP:  69
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.719605602339  0.000000000000  0.000000000000
  0.000025882031  7.721690480527  0.000000000000
  0.000040976358  -0.000674698494  7.748439129738
VIRIAL (kbar)
  62.870076125630  -0.031770315954  1.448077938175
  -0.031770315954  61.418191487134  -1.292821026557
  1.448077938175  -1.292821026557  72.870399269489
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.608462725267  7.679767481942  7.662816968017  0.645440701162  -0.008150337853  0.063640661298  -0.000797661441  -0.001182663059  -0.003080475202
  1  Al  7.676027857496  1.851113090396  1.809205305636  0.246628733757  0.433558886703  0.322621157699  0.000054318529  -0.000819019213  -0.003006867637
  2  Al  1.852620512874  7.610994009339  1.887547000882  0.041984421331  1.021853909702  0.419388736120  -0.002093660601  -0.000229978094  0.000174909993
  3  Al  1.844208535718  1.882054486409  7.700182751583  0.193466735155  -0.023746943922  0.168592309106  -0.002166092853  -0.001715427045  -0.001882209108
  4  Al  0.043507246699  7.629043204640  4.032625687692  0.065517191000  0.492298363167  -1.121241923543  0.002160989580  -0.001293971026  0.000552720566
  5  Al  0.018060257870  1.920662103745  5.869841002677  -0.094913616404  -0.022061963989  -0.532385778853  0.000412794774  -0.000607955551  -0.000089345021
  6  Al  1.889310067705  0.003224408681  5.795198335236  0.336574128333  -0.066365136863  0.310155940559  -0.000620813528  0.000838168348  0.000690162673
  7  Al  1.911133574071  1.945409082773  3.955173744779  -0.097660763327  -0.156652996199  -0.421104372006  -0.001111063273  -0.000322902836  0.001491923253
  8  Al  7.665097221216  3.965078728418  7.599188059509  0.159405457628  -0.407098236400  0.844815052380  -0.001210371290  0.001574618997  -0.001577805150
  9  Al  0.039014597983  5.770073284240  1.935700936371  -0.228401985873  -0.055592197212  -0.016534786138  0.000612019790  -0.000903093743  0.000319966654
  10  Al  1.988498341359  3.763786221518  1.944556447573  -0.487523745936  0.451128795531  0.323835354975  -0.000113875376  -0.000188417597  0.001924098364
  11  Al  1.945021186417  5.832199882048  0.152592820807  -0.071118648798  -0.250120408918  -0.728630293781  -0.000288807371  0.000574443631  0.003031612546
  12  Al  7.684151679007  3.899773611474  3.784182211200  0.555012519990  -0.456078071987  0.324100029756  0.001484977211  -0.000147120866  -0.001181755065
  13  Al  0.008446898431  5.743654413470  5.712552018998  -0.076288869552  0.049096440150  0.607493946652  -0.000043802348  -0.001322177997  -0.000791786934
  14  Al  1.896194511703  3.794704717183  5.842747484548  0.150505792226  0.290996077050  -0.374555581511  -0.001047296774  -0.001806551357  -0.000614730809
  15  Al  2.018644733351  5.794579758241  3.752827262365  -0.625078376495  -0.234639539339  0.889031986413  -0.000042090551  -0.000949920774  -0.001181860524
  16  Al  4.004477936962  0.150092912960  0.017873786496  -0.485146865596  -0.728272972671  0.082534879263  0.003096573416  0.002484646530  0.001535099767
  17  Al  3.722203918777  1.806915369121  1.916397718970  0.716799582148  0.522656619109  0.197089245847  -0.001068909419  -0.001989409764  -0.000160617523
  18  Al  5.875597452528  7.599458229223  1.803363507807  -0.335723954699  0.878223897345  0.824061741399  0.000592155117  -0.001190375821  -0.001168767620
  19  Al  5.816273828916  2.045055561869  7.578734787035  -0.079587040191  -0.842733781518  1.248125588479  -0.000268413267  0.000121177244  -0.001333279548
  20  Al  3.892073906411  0.132667047723  3.886992610485  -0.235421867483  -0.708934625328  0.134039015042  -0.000022139350  0.001129619630  0.000519465539
  21  Al  3.896790586817  1.899974623220  5.860749282282  -0.226974383430  0.353760597455  -0.134551649629  0.000719473459  0.000524113155  0.001722243553
  22  Al  5.790158283335  0.037149128491  5.839590090755  -0.143343934618  -0.161625972094  -0.073651067889  -0.000368931978  0.001600338069  0.001051820664
  23  Al  5.891265090061  1.952774589368  3.856398774832  -0.352358834782  -0.054969711450  0.012947876923  0.001442005133  0.000474629262  0.000372537315
  24  Al  3.900574610992  3.834718123407  0.131909714042  -0.187356110847  0.050622543708  -0.933233500372  0.001219426936  -0.000963130486  0.000355826864
  25  Al  3.823374591736  5.930838939243  2.058392601574  0.535316266785  -0.378581379073  -0.713718104061  0.000874459801  0.002766586226  0.001115312605
  26  Al  5.716314659803  3.972198503996  1.851857615059  0.513177137011  -0.670342550775  0.631844091978  -0.000781827561  0.001635449566  -0.000353198998
  27  Al  5.727165524028  5.839442301078  0.103398543384  0.055525920833  -0.418395739353  -1.157222231151  -0.001793285558  -0.000254027673  -0.000852139253
  28  Al  3.888456329560  3.924199991744  3.964933620126  -0.134752498260  -0.201621456114  -0.317405797458  0.000434353721  0.001420242886  0.001095122540
  29  Al  3.768371239144  5.827639715594  5.992415730020  0.558895138176  -0.130756070395  -0.543889894625  0.000048646237  0.000533193337  0.003339525399
  30  Al  5.819159494018  3.749046458593  5.830526056363  -0.257920119564  1.086583561110  -0.473315810741  -0.000020781781  0.000203425133  -0.000868890508
  31  Al  5.894044829243  5.747905305267  3.844496393722  -0.654678109680  0.345960400425  0.137123177868  0.000707632935  0.000005490893  -0.001148612470


MDSTEP:  70
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.714370183782  0.000000000000  0.000000000000
  0.000025551955  7.716450930011  0.000000000000
  0.000063228491  -0.000705035099  7.744330581020
VIRIAL (kbar)
  65.400812980604  -0.020099023541  1.516462501704
  -0.020099023541  63.928889850738  -1.215615409896
  1.516462501704  -1.215615409896  75.377885830119
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.602954315213  7.673934059753  7.657216020117  0.646748749861  -0.008883770167  0.074992366771  -0.000683014196  -0.001185683428  -0.003071350689
  1  Al  7.670865310853  1.849459571248  1.806756575889  0.241212095221  0.441459593548  0.329893917160  0.000098045489  -0.000741799485  -0.002951699622
  2  Al  1.850323958988  7.605752712578  1.886652363582  0.047113835311  1.035354880670  0.421548756001  -0.002088228770  -0.000046227561  0.000250315363
  3  Al  1.841905177866  1.879887807768  7.695165971810  0.205437895452  -0.018432934381  0.181570423884  -0.002133020325  -0.001721317644  -0.001852889644
  4  Al  0.044572733302  7.623225337562  4.030713747048  0.054857378678  0.500068612114  -1.129702803352  0.002174372199  -0.001206759108  0.000351967992
  5  Al  0.018267020547  1.919030466698  5.866660090365  -0.105212502619  -0.016404334308  -0.538629843776  0.000395393804  -0.000612136152  -0.000185239208
  6  Al  1.887749955741  0.003615421041  5.792484509524  0.349798026130  -0.076172731272  0.313069135080  -0.000560172386  0.000826448422  0.000746642236
  7  Al  1.909288697975  1.943904819426  3.953803885148  -0.092096841694  -0.154578014861  -0.430801688360  -0.001129394864  -0.000351105033  0.001417309301
  8  Al  7.659322240068  3.963127343758  7.594407292374  0.160712277681  -0.414270682062  0.855671653751  -0.001183190598  0.001503022026  -0.001427379498
  9  Al  0.039289354895  5.765696161237  1.934833832817  -0.237098724230  -0.055727709390  -0.022014754206  0.000571118025  -0.000914139697  0.000316858767
  10  Al  1.987076445841  3.761150510190  1.944502136128  -0.485190878402  0.445190631834  0.317594074758  -0.000201040799  -0.000108426711  0.001983518429
  11  Al  1.943554657164  5.828517971964  0.153995554640  -0.062849893928  -0.256191857050  -0.746121526011  -0.000301163230  0.000529909363  0.002902924202
  12  Al  7.679718514572  3.897018417646  3.781599128459  0.550042453533  -0.463647105371  0.326888909685  0.001585636193  -0.000229595686  -0.001124782719
  13  Al  0.008432048206  5.739075282671  5.709154133092  -0.079614460640  0.051691449325  0.612782650486  -0.000057796333  -0.001314779763  -0.000683478797
  14  Al  1.894408103124  3.791216087579  5.839325229301  0.160295607140  0.301807304646  -0.375026220505  -0.001020758927  -0.001755725744  -0.000682432391
  15  Al  2.017237268798  5.790147357992  3.750285998154  -0.623329878397  -0.235122694319  0.902849337902  -0.000153808241  -0.000993116680  -0.001022838844
  16  Al  4.003289169335  0.151201111039  0.018635749578  -0.498177618360  -0.742439973695  0.075160728271  0.003012352344  0.002356128903  0.001550837609
  17  Al  3.719182400360  1.804710057865  1.915310041750  0.721618479732  0.534824086978  0.200646022781  -0.000941532114  -0.001897228278  -0.000125212082
  18  Al  5.871898669121  7.593738345547  1.801859576173  -0.331863216753  0.891684093384  0.830784357781  0.000533162384  -0.001033516273  -0.001021989412
  19  Al  5.812213157984  2.043660711969  7.574105183172  -0.072714479187  -0.843578047849  1.263666296777  -0.000282353313  -0.000029547807  -0.001110025020
  20  Al  3.889423889418  0.133094861041  3.885197354463  -0.234715396839  -0.713448030351  0.139769119067  -0.000064225408  0.001003762280  0.000544509269
  21  Al  3.894514255011  1.898940044257  5.858497002170  -0.233048345872  0.356714723087  -0.143026042346  0.000679181862  0.000588338173  0.001699246497
  22  Al  5.786057280139  0.037893874989  5.837016451842  -0.146946286811  -0.172108609900  -0.081085704743  -0.000395353951  0.001572445349  0.001039098432
  23  Al  5.887986104708  1.951669130870  3.854540846177  -0.355224419538  -0.054237190696  0.007214166019  0.001380453704  0.000465443225  0.000374736909
  24  Al  3.898530976232  3.831636123862  0.131976026147  -0.197206403644  0.052510536547  -0.938346096344  0.001186501668  -0.000955066541  0.000188797999
  25  Al  3.821248530941  5.928173135564  2.057827063957  0.537951288659  -0.383795060509  -0.722675647381  0.000971519776  0.002701763506  0.000988017469
  26  Al  5.712074947311  3.970283795145  1.850727271832  0.520262401322  -0.684283960973  0.637531063079  -0.000690327354  0.001516249266  -0.000240032743
  27  Al  5.722387037560  5.835333791966  0.102865821479  0.058587365717  -0.419754066634  -1.165923522847  -0.001785243436  -0.000329330796  -0.001060843934
  28  Al  3.886041641044  3.922222773261  3.963364766802  -0.135890994859  -0.208726681236  -0.317738416776  0.000410662296  0.001385278981  0.001039475332
  29  Al  3.765881832943  5.823922395161  5.990884196479  0.557694136952  -0.131803413751  -0.550728740336  0.000148563795  0.000510420342  0.003245166280
  30  Al  5.815207649284  3.746629661485  5.826978754708  -0.260225097334  1.094669615919  -0.475830919371  -0.000067150102  0.000398774047  -0.000954712858
  31  Al  5.890382980701  5.744007987400  3.841889549946  -0.660926552280  0.347631340723  0.146018947104  0.000590813127  0.000067518508  -0.001124507688


MDSTEP:  71
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.709326450312  0.000000000000  0.000000000000
  0.000025268457  7.711399390463  0.000000000000
  0.000087038709  -0.000735743476  7.740435988032
VIRIAL (kbar)
  67.840786028823  -0.007508321151  1.584595298420
  -0.007508321151  66.339444212419  -1.131866904595
  1.584595298420  -1.131866904595  77.784160314283
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.597694047542  7.668286120430  7.651832492045  0.652555894690  -0.012280847634  0.086702970849  -0.000567587603  -0.001189073608  -0.003060132915
  1  Al  7.665915340280  1.847890271863  1.804386453617  0.240376764719  0.446333721501  0.338359894291  0.000141266883  -0.000663340698  -0.002895045414
  2  Al  1.848077450751  7.600789193326  1.885847603925  0.048772854227  1.044728325629  0.424834219666  -0.002082175871  0.000139793357  0.000326286057
  3  Al  1.839666936643  1.877764449701  7.690377519041  0.214094341789  -0.015250930015  0.194254874262  -0.002098053685  -0.001726449529  -0.001821231155
  4  Al  0.045645676316  7.617637406965  4.028812264753  0.048926346181  0.504516001476  -1.137262257573  0.002186280069  -0.001118348806  0.000149567264
  5  Al  0.018466129377  1.917443683916  5.863593054909  -0.110881454648  -0.012933232512  -0.545663845026  0.000376542763  -0.000615505235  -0.000282421478
  6  Al  1.886269032618  0.003999676937  5.789958906070  0.358922859903  -0.088697706074  0.313861251990  -0.000497457445  0.000812715215  0.000803508056
  7  Al  1.907483526438  1.942433835490  3.952505129832  -0.089994931034  -0.154966957337  -0.440061988814  -0.001147058773  -0.000379190572  0.001340910986
  8  Al  7.653753176229  3.961235533026  7.589912448591  0.166769072382  -0.418527919667  0.865511094903  -0.001155314305  0.001430313757  -0.001274933554
  9  Al  0.039544468846  5.761454203089  1.934018301564  -0.241060510906  -0.052836966901  -0.026003068535  0.000529032147  -0.000924949518  0.000312898539
  10  Al  1.985660902781  3.758646137165  1.944530477363  -0.485993685794  0.441652418830  0.312086256744  -0.000288175521  -0.000029184607  0.002041937170
  11  Al  1.942130779304  5.824955330903  0.155336627544  -0.058403040310  -0.259449310971  -0.762488456465  -0.000312395993  0.000484482998  0.002771051335
  12  Al  7.675526564096  3.894316479689  3.779149440080  0.549210429014  -0.467637027415  0.329907530831  0.001685892057  -0.000313202667  -0.001067222922
  13  Al  0.008411457449  5.734639981485  5.705968573510  -0.078011663909  0.057162810690  0.615713774025  -0.000071961572  -0.001306644584  -0.000574315995
  14  Al  1.892684017485  3.787846062792  5.836030586943  0.166255408868  0.314921216307  -0.376480855130  -0.000992775296  -0.001702694194  -0.000750373343
  15  Al  2.015824951395  5.785834564741  3.747928781671  -0.625147196937  -0.232615457592  0.915674618375  -0.000265667326  -0.001036177469  -0.000861258588
  16  Al  4.002156156247  0.152247270582  0.019405367725  -0.515780493953  -0.759029473046  0.067813988097  0.002925276636  0.002224697364  0.001565264927
  17  Al  3.716317948340  1.802595927876  1.914293183324  0.720453147811  0.544287568174  0.205253127147  -0.000813670451  -0.001802993267  -0.000089038032
  18  Al  5.868316675314  7.588282827863  1.800479419937  -0.323102997288  0.901335560131  0.837597259684  0.000475224716  -0.000874393244  -0.000873838001
  19  Al  5.808291867544  2.042239875965  7.569797502565  -0.061705116575  -0.845160742982  1.277358482695  -0.000294710724  -0.000180667931  -0.000883911546
  20  Al  3.886850295551  0.133462234119  3.883522079455  -0.239231835503  -0.720516599351  0.145374815222  -0.000106703491  0.000876713898  0.000570589821
  21  Al  3.892315227951  1.897983528693  5.856394251715  -0.244102599998  0.356992375091  -0.152649930563  0.000637306046  0.000652928023  0.001674594756
  22  Al  5.782087974515  0.038624326404  5.834597107451  -0.146148625932  -0.185219946919  -0.089940483708  -0.000422057777  0.001542403091  0.001024898662
  23  Al  5.884822825921  1.950606328847  3.852790155108  -0.353594813139  -0.055700287713  0.001615674543  0.001318711784  0.000456179308  0.000375922676
  24  Al  3.896566951944  3.828651912745  0.131962147598  -0.211743161858  0.056904201981  -0.942169511000  0.001151351780  -0.000946431175  0.000020791501
  25  Al  3.819266222909  5.925618107528  2.057254039744  0.534243649534  -0.386876211453  -0.729550593401  0.001068597903  0.002636108988  0.000859164555
  26  Al  5.708023887624  3.968404971930  1.849704989463  0.530190585253  -0.694478002862  0.643515534095  -0.000597192740  0.001394742962  -0.000125700932
  27  Al  5.717755550925  5.831329831628  0.102231420172  0.065714262191  -0.418259457399  -1.172360474260  -0.001776271257  -0.000404716393  -0.001271116758
  28  Al  3.883712292496  3.920322662542  3.961877287248  -0.142169254327  -0.212881918079  -0.318076343397  0.000386277028  0.001349260001  0.000983702138
  29  Al  3.763537129830  5.820335082393  5.989469821042  0.550422093695  -0.130522975281  -0.558900917141  0.000247842718  0.000487637825  0.003149342534
  30  Al  5.811378213077  3.744401847551  5.823549639023  -0.258018311943  1.103497609208  -0.478515502395  -0.000113581852  0.000595869071  -0.001041084833
  31  Al  5.886809377825  5.740281533234  3.839401596519  -0.661818016200  0.351510162183  0.154688859988  0.000473211477  0.000130117643  -0.001098798568


MDSTEP:  72
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.704479551575  0.000000000000  0.000000000000
  0.000025035038  7.706540925276  0.000000000000
  0.000112454280  -0.000766783244  7.736760271838
VIRIAL (kbar)
  70.178825086556  0.004000552231  1.653874256491
  0.004000552231  68.658708552038  -1.046404495942
  1.653874256491  -1.046404495942  80.075775110863
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.592687584481  7.662828407902  7.646672224427  0.651733447205  -0.012200420382  0.098959780891  -0.000451571902  -0.001192760503  -0.003046737459
  1  Al  7.661183018331  1.846406856966  1.802096787818  0.234089500663  0.454177245264  0.345636275737  0.000183903781  -0.000583646544  -0.002836902569
  2  Al  1.845882339847  7.596109343456  1.885134242565  0.054238202563  1.055245084175  0.426418821116  -0.002075470217  0.000327819150  0.000402770011
  3  Al  1.837495824055  1.875685930070  7.685823380833  0.226170109527  -0.008623940865  0.206925191060  -0.002061180535  -0.001730703339  -0.001787258299
  4  Al  0.046725657497  7.612284830100  4.026923076428  0.037189113948  0.511420725346  -1.143700609390  0.002196614067  -0.001028816299  -0.000054299739
  5  Al  0.018657130365  1.915903340078  5.860642962775  -0.122157162991  -0.006291033750  -0.551165859414  0.000356152601  -0.000617973490  -0.000380825352
  6  Al  1.884869414489  0.004376105054  5.787625311187  0.370844400326  -0.097106390465  0.315502058411  -0.000432783021  0.000797091142  0.000860645581
  7  Al  1.905719515780  1.940997375945  3.951279176023  -0.084207852873  -0.151808430636  -0.448902270769  -0.001164033444  -0.000407062121  0.001262803514
  8  Al  7.648395712536  3.959405570820  7.585709242665  0.167280063639  -0.426474893353  0.874873300409  -0.001126812560  0.001356423520  -0.001120600360
  9  Al  0.039779627361  5.757351437738  1.933255222148  -0.249959888554  -0.052916020217  -0.030751078720  0.000485742676  -0.000935517376  0.000308150450
  10  Al  1.984252950397  3.756275285378  1.944642279966  -0.482177778074  0.435049418089  0.305094860024  -0.000375146109  0.000049247758  0.002099284693
  11  Al  1.940751241293  5.821515491183  0.156614707200  -0.050031882684  -0.265277154671  -0.777077885788  -0.000322494779  0.000438185115  0.002636250676
  12  Al  7.671580970013  3.891669989059  3.776835807983  0.542277114196  -0.474338151959  0.332667116954  0.001785567027  -0.000397864742  -0.001009077973
  13  Al  0.008385306852  5.730352768161  5.702999244914  -0.082166754958  0.059602723822  0.618677613869  -0.000086372437  -0.001297784777  -0.000464506812
  14  Al  1.891024074195  3.784598308201  5.832867101631  0.175366758065  0.323926418192  -0.376613489243  -0.000963404464  -0.001647615152  -0.000818522405
  15  Al  2.014408954620  5.781645387956  3.745759164192  -0.622404473213  -0.233169023258  0.926062499530  -0.000377578204  -0.001079108319  -0.000697425631
  16  Al  4.001080040948  0.153230024098  0.020182038144  -0.528007791287  -0.771285733198  0.060876472544  0.002835413911  0.002090519069  0.001578418472
  17  Al  3.713612968752  1.800575003539  1.913348780013  0.724626325181  0.556787109457  0.208381591398  -0.000685382247  -0.001706672275  -0.000052133326
  18  Al  5.864856183752  7.583097554738  1.799224810904  -0.318246700793  0.912358976435  0.842020842649  0.000418432499  -0.000713222517  -0.000724519210
  19  Al  5.804514858224  2.040794250932  7.565817820304  -0.054365393432  -0.843200577961  1.289202645266  -0.000305441793  -0.000331931417  -0.000655269448
  20  Al  3.884355327298  0.133768629485  3.881969776292  -0.237780469096  -0.723427544925  0.150169814480  -0.000149507091  0.000748616854  0.000597624028
  21  Al  3.890195157314  1.897106410288  5.854443927780  -0.249350355217  0.360064066925  -0.160815592591  0.000593918021  0.000717892806  0.001648313767
  22  Al  5.778254318923  0.039339393522  5.832334996401  -0.148515191963  -0.194306268368  -0.097595991927  -0.000448932822  0.001510332991  0.001009199760
  23  Al  5.881779368334  1.949587361494  3.851148659976  -0.355667512181  -0.054255280272  -0.003645731979  0.001256849896  0.000446900963  0.000376135601
  24  Al  3.894683861228  3.825768377028  0.131867776540  -0.220918384087  0.057873424679  -0.944672245942  0.001114034862  -0.000937305586  -0.000147957921
  25  Al  3.817429952912  5.923177522377  2.056674208928  0.535077122523  -0.392401812775  -0.736980577058  0.001165531888  0.002569592813  0.000728890229
  26  Al  5.704166205015  3.966563738626  1.848792506134  0.536130692377  -0.707088844030  0.647774303423  -0.000502524742  0.001271047131  -0.000010331593
  27  Al  5.713275486327  5.827434352154  0.101494742636  0.069731799930  -0.418681291159  -1.176557677105  -0.001766281296  -0.000480100176  -0.001482553034
  28  Al  3.881470345201  3.918501903631  3.960473679087  -0.143027719000  -0.220536518168  -0.318660387308  0.000361222170  0.001312135059  0.000927780648
  29  Al  3.761339064808  5.816881749468  5.988175731791  0.548862332873  -0.132254464230  -0.565626391249  0.000346449304  0.000464784326  0.003052062623
  30  Al  5.807675287134  3.742366360303  5.820242123668  -0.258905008248  1.107314775296  -0.479134582122  -0.000159949717  0.000794328781  -0.001127835757
  31  Al  5.883327878781  5.736730098611  3.837035729697  -0.665726664364  0.351823826959  0.162657182846  0.000355037002  0.000193167157  -0.001071566218


MDSTEP:  73
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.699834326892  0.000000000000  0.000000000000
  0.000024854320  7.701880320268  0.000000000000
  0.000139522927  -0.000798114233  7.733308032264
VIRIAL (kbar)
  72.415651997134  0.017481583791  1.722917430802
  0.017481583791  70.867228639786  -0.956126931057
  1.722917430802  -0.956126931057  82.256948027891
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.587939692936  7.657565699682  7.641740787996  0.654769766935  -0.014614387918  0.110728551140  -0.000335215025  -0.001196655780  -0.003031155646
  1  Al  7.656672622844  1.845011192709  1.799889246591  0.231734576344  0.458708798218  0.353804188408  0.000225819046  -0.000502746382  -0.002777295749
  2  Al  1.843740241898  7.591718890319  1.884513572877  0.057071966111  1.061655059990  0.428797145182  -0.002068005076  0.000517585540  0.000479685319
  3  Al  1.835394084118  1.873654005733  7.681509224803  0.235310468945  -0.004949445517  0.218504602003  -0.002022354624  -0.001734032974  -0.001751067176
  4  Al  0.047811738693  7.607172971984  4.025047943320  0.029512576079  0.515173548699  -1.148383393134  0.002205215214  -0.000938222686  -0.000259374236
  5  Al  0.018839066875  1.914411233832  5.857812770081  -0.129483773452  -0.002393968723  -0.557154550905  0.000334073312  -0.000619501469  -0.000480356999
  6  Al  1.883553394245  0.004744001345  5.785487349418  0.379204317510  -0.107789888069  0.315358344349  -0.000366215617  0.000779738394  0.000917970162
  7  Al  1.903998373773  1.939596931684  3.950127592218  -0.081299444017  -0.151789752193  -0.456547589350  -0.001180245095  -0.000434682649  0.001183130119
  8  Al  7.643254728157  3.957639257408  7.581803036420  0.171623149491  -0.431534048967  0.882598619097  -0.001097837764  0.001281278216  -0.000964568790
  9  Al  0.039994073044  5.753391419199  1.932545325779  -0.254801657526  -0.049720591176  -0.034205238843  0.000441169596  -0.000945815211  0.000302661383
  10  Al  1.982854156470  3.754039730789  1.944838142489  -0.481130308543  0.430796072458  0.298706448518  -0.000461785989  0.000126804741  0.002155479316
  11  Al  1.939418003353  5.818201544180  0.157828610266  -0.045068789919  -0.267508348593  -0.790956352097  -0.000331411664  0.000391106422  0.002498742517
  12  Al  7.667886024576  3.889080751229  3.774660715503  0.538507854252  -0.477457695105  0.336222479308  0.001884395849  -0.000483504397  -0.000950299643
  13  Al  0.008353261069  5.726217422890  5.700249821677  -0.082312813294  0.065344047835  0.619653415279  -0.000101185610  -0.001288174683  -0.000354226863
  14  Al  1.889430298748  3.781475986451  5.829838190528  0.180870706567  0.334866295071  -0.377473943197  -0.000932685233  -0.001590680264  -0.000886825278
  15  Al  2.012990774021  5.777583352977  3.743780329245  -0.622518724168  -0.230016704697  0.935772859967  -0.000489387597  -0.001121850369  -0.000531618310
  16  Al  4.000062284611  0.154148382446  0.020965195077  -0.544056415178  -0.785805096267  0.053403674200  0.002742899216  0.001953775859  0.001590284726
  17  Al  3.711070199000  1.798649518146  1.912478257921  0.723786077477  0.565701961350  0.212398981945  -0.000556638753  -0.001608311760  -0.000014550464
  18  Al  5.861521319812  7.578188259501  1.798097237449  -0.309610770962  0.919542911958  0.846285111691  0.000362776119  -0.000550223162  -0.000574261640
  19  Al  5.800886468796  2.039325271784  7.562171740137  -0.043624577788  -0.842419541556  1.298311131255  -0.000314568590  -0.000483125476  -0.000424509121
  20  Al  3.881941562810  0.134013872547  3.880543203767  -0.240603620077  -0.728853892039  0.155291931612  -0.000192484720  0.000619617442  0.000625568968
  21  Al  3.888156055959  1.896310206817  5.852648814408  -0.258533933055  0.359618583269  -0.169940909594  0.000549183407  0.000783167336  0.001620446051
  22  Al  5.774559749279  0.040038344920  5.830232922378  -0.147344593401  -0.205819901296  -0.106405959433  -0.000475945459  0.001476374976  0.000992003935
  23  Al  5.878859277609  1.948613596679  3.849618189399  -0.354178413877  -0.055465430896  -0.007961032149  0.001194855254  0.000437630625  0.000375489267
  24  Al  3.892883348312  3.822987959416  0.131692717629  -0.233601720006  0.061214786749  -0.946458634606  0.001074714074  -0.000927783017  -0.000317266302
  25  Al  3.815742261958  5.920854614952  2.056088112195  0.530505185328  -0.394994820400  -0.742280760034  0.001262242952  0.002502256770  0.000597335434
  26  Al  5.700506040224  3.964761436919  1.847991333204  0.544396771738  -0.715878878796  0.652204306796  -0.000406470913  0.001145285152  0.000105935635
  27  Al  5.708950756498  5.823650901551  0.100655379423  0.077223101541  -0.415727916947  -1.179159341045  -0.001755238676  -0.000555350900  -0.001694807160
  28  Al  3.879318187707  3.916762285959  3.959156252238  -0.147744982705  -0.225273777595  -0.318770268898  0.000335636643  0.001273850358  0.000871731505
  29  Al  3.759289935097  5.813565889150  5.987004936061  0.542471289102  -0.130889040821  -0.573628085614  0.000444460580  0.000441867152  0.002953340311
  30  Al  5.804102461017  3.740525967743  5.817059562093  -0.255867205848  1.111654565974  -0.479679942758  -0.000206178695  0.000993751381  -0.001214772898
  31  Al  5.879941830839  5.733357316254  3.834794924237  -0.665206063603  0.354626496000  0.170964210909  0.000236416166  0.000256570816  -0.001042841414


MDSTEP:  74
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.695395315229  0.000000000000  0.000000000000
  0.000024729582  7.697422041517  0.000000000000
  0.000168291567  -0.000829694901  7.730083567700
VIRIAL (kbar)
  74.543692537011  0.029689718558  1.791832708898
  0.029689718558  72.973870166390  -0.862106666551
  1.791832708898  -0.862106666551  84.312759959851
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.583455192381  7.652502232707  7.637043411060  0.655016134094  -0.015309274766  0.123381055376  -0.000218421921  -0.001200828291  -0.003013348685
  1  Al  7.652388485842  1.843704775562  1.797765508155  0.227302031840  0.465164631204  0.361162896531  0.000267177157  -0.000420763231  -0.002716215743
  2  Al  1.841652464751  7.587622886432  1.883986888858  0.061968198384  1.067796374256  0.429898722404  -0.002059829613  0.000708701323  0.000556987812
  3  Al  1.833363626566  1.871670092085  7.677440322299  0.246317327750  0.001255993713  0.230604430596  -0.001981668640  -0.001736474053  -0.001712706279
  4  Al  0.048903344590  7.602306603330  4.023188619089  0.019656625619  0.519931463472  -1.152298974576  0.002212248788  -0.000846759173  -0.000465428525
  5  Al  0.019011333209  1.912968839693  5.855105157003  -0.139051328586  0.003629068491  -0.561894287863  0.000310455854  -0.000620143162  -0.000580947645
  6  Al  1.882322874765  0.005102458705  5.783548262933  0.388917679425  -0.116592092621  0.315507408063  -0.000297951047  0.000760619467  0.000975347259
  7  Al  1.902321475172  1.938233631872  3.949051897380  -0.076275486694  -0.149530175164  -0.464379610647  -0.001195760248  -0.000462131913  0.001101980061
  8  Al  7.638335146516  3.955938486353  7.578198755043  0.174179848411  -0.438433482904  0.890307363130  -0.001068206274  0.001204970213  -0.000806986962
  9  Al  0.040187408462  5.749577754757  1.931889383819  -0.261118137131  -0.048389082503  -0.038433286557  0.000395542650  -0.000955716001  0.000296477022
  10  Al  1.981465760917  3.751941306305  1.945118644690  -0.477199364619  0.424839083385  0.290920512944  -0.000548083489  0.000203542268  0.002210446925
  11  Al  1.938132645690  5.815016659739  0.158977206991  -0.038100214357  -0.271445034655  -0.802958156804  -0.000339270302  0.000343415194  0.002358756501
  12  Al  7.664446008137  3.886550727631  3.772626571558  0.532065787234  -0.481874604704  0.338960796413  0.001982419501  -0.000569917425  -0.000890889663
  13  Al  0.008315342028  5.722237783899  5.697723581977  -0.084284594530  0.069305221289  0.620480915345  -0.000116206195  -0.001277676721  -0.000243668301
  14  Al  1.887904320902  3.778482278420  5.826946975467  0.188015975098  0.343709004335  -0.377077293384  -0.000900791609  -0.001531901578  -0.000955233319
  15  Al  2.011571567220  5.773652075125  3.741995259804  -0.619623775371  -0.228646464442  0.943143898129  -0.000601080617  -0.001164230263  -0.000364106755
  16  Al  3.999103848912  0.155001143901  0.021754225235  -0.558317051026  -0.797661731809  0.046562322147  0.002647547021  0.001814500595  0.001600870047
  17  Al  3.708691787492  1.796821312874  1.911683049558  0.724384125901  0.576719502626  0.215479577485  -0.000427760270  -0.001508041904  0.000023706401
  18  Al  5.858316317255  7.573560023484  1.797098108707  -0.302593852331  0.926771589275  0.848676093266  0.000308450400  -0.000385733510  -0.000423248200
  19  Al  5.797411115051  2.037834179387  7.558864334791  -0.034671973186  -0.838629267362  1.306062383743  -0.000321944929  -0.000634084606  -0.000191997852
  20  Al  3.879611044658  0.134197554873  3.879245000307  -0.241295454234  -0.731781718583  0.159548401209  -0.000235827825  0.000489713918  0.000654376704
  21  Al  3.886199431315  1.895596046682  5.851011381419  -0.265454115632  0.360811678808  -0.178071999849  0.000502951168  0.000848582893  0.001590992753
  22  Al  5.771007790593  0.040720230900  5.828293358276  -0.147600757048  -0.214923698353  -0.114663935990  -0.000502906556  0.001440524733  0.000973255560
  23  Al  5.876066187030  1.947686084665  3.848200506516  -0.354372365301  -0.054836371990  -0.012570764717  0.001132895780  0.000428295156  0.000374040909
  24  Al  3.891166591209  3.820313155733  0.131436828174  -0.244605300092  0.062622508500  -0.946242026663  0.001033223520  -0.000917823469  -0.000486888214
  25  Al  3.814205063377  5.918652636107  2.055496395972  0.526614242581  -0.399336313556  -0.747650877685  0.001358306791  0.002434205090  0.000464684861
  26  Al  5.697047522980  3.962999581895  1.847302929663  0.550125813190  -0.725596498556  0.655034630848  -0.000309049349  0.001017713970  0.000222972061
  27  Al  5.704785361962  5.819983084940  0.099713051040  0.083312110225  -0.413994634333  -1.178937379630  -0.001742955799  -0.000630274739  -0.001907480646
  28  Al  3.877257711450  3.915105697148  3.957927203295  -0.150809884940  -0.231758678764  -0.319606414313  0.000309322576  0.001234508811  0.000815532505
  29  Al  3.757391462702  5.810391030244  5.985960091915  0.537304069708  -0.131292812888  -0.580704131377  0.000541552031  0.000419004828  0.002853142943
  30  Al  5.800663446812  3.738883337881  5.814005083690  -0.254041915376  1.112335569757  -0.478467680232  -0.000252025365  0.001193855251  -0.001301730745
  31  Al  5.876654744040  5.730166806449  3.832682036396  -0.665764399007  0.355140248841  0.178225412659  0.000117649144  0.000320346332  -0.001012685825


MDSTEP:  75
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.691166743667  0.000000000000  0.000000000000
  0.000024663141  7.693170266570  0.000000000000
  0.000198806497  -0.000861482881  7.727090845019
VIRIAL (kbar)
  76.559658638487  0.042994879816  1.859951232403
  0.042994879816  74.962956153258  -0.763242901846
  1.859951232403  -0.763242901846  86.248314646110
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.579238347881  7.647642110579  7.632585072783  0.656680258402  -0.017862865623  0.135953615703  -0.000101315966  -0.001205290089  -0.002993241330
  1  Al  7.648334444490  1.842489207931  1.795727102166  0.224688051139  0.468858288314  0.369573621829  0.000307953651  -0.000337771212  -0.002653639107
  2  Al  1.839620423991  7.583826083350  1.883555292749  0.064618379894  1.070237752049  0.431893034236  -0.002050958600  0.000900810914  0.000634642023
  3  Al  1.831406453433  1.869735760496  7.673621662835  0.254805323077  0.005338686722  0.242056323938  -0.001939178226  -0.001737988025  -0.001672184639
  4  Al  0.049999703083  7.597690302891  4.021346745610  0.011533400622  0.522077854920  -1.154866003412  0.002217672050  -0.000754568980  -0.000672270776
  5  Al  0.019173120847  1.911577750945  5.852522660060  -0.146851766082  0.007497500889  -0.567321321353  0.000285256248  -0.000619899805  -0.000682546234
  6  Al  1.881179805765  0.005450737966  5.781811074683  0.395490859138  -0.127026699567  0.313732056667  -0.000228147788  0.000739754324  0.001032629604
  7  Al  1.900690305115  1.936908732557  3.948053421826  -0.073643776573  -0.149513605104  -0.471409728465  -0.001210601973  -0.000489409497  0.001019407685
  8  Al  7.633641421114  3.954304837117  7.574901002729  0.178542020915  -0.443116000856  0.896663887032  -0.001037915577  0.001127532084  -0.000647977942
  9  Al  0.040359100257  5.745913668896  1.931288015363  -0.265372031024  -0.044368094202  -0.041140744890  0.000348913476  -0.000965144888  0.000289663409
  10  Al  1.980089177306  3.749981554553  1.945484160939  -0.475378455550  0.420638922270  0.283909353412  -0.000633967904  0.000279463191  0.002264128660
  11  Al  1.936896848363  5.811963635668  0.160059524410  -0.033967138681  -0.272478761087  -0.813691673948  -0.000346143276  0.000295217948  0.002216572626
  12  Al  7.661264655072  3.884081614940  3.770735551942  0.526817466313  -0.483304269148  0.342133909440  0.002079502631  -0.000656952404  -0.000830882150
  13  Al  0.008271406261  5.718417316159  5.695423550201  -0.084426723871  0.075932949238  0.619021406977  -0.000131433992  -0.001266209975  -0.000133050377
  14  Al  1.886447840535  3.775620037978  5.824196437730  0.192013598182  0.353789095340  -0.377635236978  -0.000867856744  -0.001471353629  -0.001023718026
  15  Al  2.010152674120  5.769854792328  3.740406575392  -0.619002920977  -0.224397432712  0.949287818090  -0.000712590064  -0.001206148388  -0.000195210801
  16  Al  3.998205690985  0.155787334730  0.022548571859  -0.574092649103  -0.811009959013  0.039567986475  0.002549378076  0.001672795425  0.001610215021
  17  Al  3.706479864645  1.795092352668  1.910964423255  0.722061746066  0.584838733071  0.219556462069  -0.000298880459  -0.001405931819  0.000062642647
  18  Al  5.855245025286  7.569217654049  1.796228594543  -0.292417585595  0.930694132132  0.851002013535  0.000255594967  -0.000220044865  -0.000271653782
  19  Al  5.794092817080  2.036322402650  7.555900240057  -0.022880686171  -0.835763138559  1.311292642459  -0.000327474786  -0.000784620108  0.000041915538
  20  Al  3.877365846654  0.134319482463  3.878077562252  -0.243932250121  -0.736482973357  0.163724403842  -0.000279519631  0.000358971104  0.000683962738
  21  Al  3.884326833302  1.894965137087  5.849533936091  -0.274029570887  0.359099952394  -0.187279431253  0.000455274189  0.000914025234  0.001559944665
  22  Al  5.767601604742  0.041384315445  5.826518575880  -0.144747959715  -0.225687247263  -0.124136144515  -0.000529665012  0.001402846683  0.000952893671
  23  Al  5.873403339385  1.946805967462  3.846897183063  -0.351572297597  -0.056361952369  -0.016546241848  0.001071088903  0.000418866117  0.000371819950
  24  Al  3.889534758603  3.817746145588  0.131100132541  -0.257185009238  0.065779346268  -0.944859334329  0.000989570029  -0.000907442625  -0.000656537512
  25  Al  3.812820179890  5.916574457792  2.054899607586  0.519456687033  -0.401337832526  -0.750770429023  0.001453489795  0.002365489236  0.000331134401
  26  Al  5.693794328128  3.961279453232  1.846728536754  0.557748971068  -0.732089832159  0.658250554907  -0.000210316971  0.000888537671  0.000340667862
  27  Al  5.700782945610  5.816434177361  0.098667717340  0.092533014531  -0.409214418136  -1.176640904315  -0.001729275463  -0.000704706867  -0.002120131460
  28  Al  3.875290796761  3.913533721399  3.956788492671  -0.155745249951  -0.236002949264  -0.320277685321  0.000282259776  0.001194152993  0.000759133842
  29  Al  3.755645328965  5.807360325681  5.985043681280  0.529506597155  -0.129234739883  -0.589053709679  0.000637595523  0.000396259249  0.002751438258
  30  Al  5.797361610585  3.737440679783  5.811081721755  -0.248840142979  1.112841623014  -0.477385642985  -0.000297294976  0.001394295743  -0.001388561746
  31  Al  5.873469788776  5.727161772939  3.830699665401  -0.662410159418  0.357627934206  0.185395141703  -0.000001009573  0.000384465266  -0.000981199746


MDSTEP:  76
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.687152526963  0.000000000000  0.000000000000
  0.000024657541  7.689128852104  0.000000000000
  0.000231112839  -0.000893434409  7.724333521281
VIRIAL (kbar)
  78.459274283602  0.055409633212  1.928015113217
  0.055409633212  76.843770358588  -0.663142186233
  1.928015113217  -0.663142186233  88.049194664977
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.575293246587  7.642988952197  7.628370438878  0.654195663078  -0.017668964332  0.147768705948  0.000015857591  -0.001209961238  -0.002970905151
  1  Al  7.644514189118  1.841365771721  1.793775581514  0.218697270202  0.474650761248  0.375848251084  0.000348007761  -0.000253829063  -0.002589661181
  2  Al  1.837645258908  7.580332593265  1.883219894315  0.071737269023  1.073173801134  0.431547261198  -0.002041191609  0.001093626288  0.000712517226
  3  Al  1.829524266909  1.867852315162  7.670057871474  0.267300190789  0.011671753585  0.252191580744  -0.001894747724  -0.001738561412  -0.001629675725
  4  Al  0.051100195652  7.593328102660  4.019523916096  0.000302437417  0.525867544800  -1.154858081666  0.002221359198  -0.000661738528  -0.000879546972
  5  Al  0.019323776506  1.910239289442  5.850067515367  -0.158003104108  0.013460355235  -0.570401073009  0.000258331240  -0.000618775458  -0.000785003255
  6  Al  1.880125781672  0.005787954029  5.780278406357  0.405476555279  -0.134405164649  0.313229189535  -0.000156780445  0.000717268091  0.001089757337
  7  Al  1.899106056148  1.935623207979  3.947133406474  -0.066716144690  -0.147498755201  -0.476707529325  -0.001224598316  -0.000516536642  0.000935639189
  8  Al  7.629177856415  3.952739921494  7.571913964806  0.179346371290  -0.450591349116  0.901491330044  -0.001007121679  0.001048911349  -0.000487800456
  9  Al  0.040508796029  5.742402386463  1.930741897745  -0.272346005239  -0.042394877745  -0.045332277949  0.000301222462  -0.000974043368  0.000282223153
  10  Al  1.978725546770  3.748162021645  1.945935059675  -0.468597872654  0.413971427829  0.274573219365  -0.000719182603  0.000354501948  0.002316382613
  11  Al  1.935711959335  5.809045285254  0.161074692049  -0.025659382162  -0.274921207705  -0.824138327037  -0.000351909211  0.000246647967  0.002072329222
  12  Al  7.658345499198  3.881675212031  3.768989721987  0.517474921839  -0.486631330374  0.346037508399  0.002175382448  -0.000744511278  -0.000770172937
  13  Al  0.008221472157  5.714759485468  5.693352321815  -0.087572094561  0.080553784189  0.618428931920  -0.000146974113  -0.001253713765  -0.000022501900
  14  Al  1.885062199689  3.772892074878  5.821589236702  0.199635954942  0.360728002572  -0.375971518834  -0.000833836594  -0.001409204542  -0.001092164504
  15  Al  2.008735145060  5.766194757910  3.739016642183  -0.613290365414  -0.221681006953  0.954562166185  -0.000823662221  -0.001247482665  -0.000025119410
  16  Al  3.997368467504  0.156505836781  0.023347664477  -0.586973623085  -0.820475451271  0.031832394559  0.002448512347  0.001528871993  0.001618237516
  17  Al  3.704436153276  1.793464272034  1.910323661416  0.723052222387  0.594780284939  0.221406317162  -0.000169965647  -0.001302075964  0.000102148184
  18  Al  5.852311336466  7.565165353509  1.795489792416  -0.286590106742  0.935405829289  0.850326194894  0.000204105471  -0.000053382566  -0.000119754610
  19  Al  5.790935612486  2.034791198831  7.553283572187  -0.015475860502  -0.829751552930  1.313583609672  -0.000331294475  -0.000934530695  0.000276740014
  20  Al  3.875207708927  0.134379293371  3.877043124932  -0.243121306467  -0.737955307770  0.168346722583  -0.000323425517  0.000227519433  0.000714359773
  21  Al  3.882539503520  1.894418350291  5.848218454243  -0.278932642961  0.359023257804  -0.194160714867  0.000406331549  0.000979379572  0.001527411791
  22  Al  5.764344395293  0.042029712441  5.824910504149  -0.145725690659  -0.232926581778  -0.131924731959  -0.000556284533  0.001363505092  0.000930958530
  23  Al  5.870874004661  1.945974113831  3.845709693142  -0.352973137113  -0.056017314617  -0.019109876437  0.001009327055  0.000409317829  0.000369008486
  24  Al  3.887988718925  3.815289105679  0.130682747657  -0.266271724487  0.065905447268  -0.943264080540  0.000943922745  -0.000896754328  -0.000826087678
  25  Al  3.811588991139  5.914622913586  2.054298408326  0.514568593053  -0.404656109806  -0.754635011999  0.001547700052  0.002296199483  0.000196819965
  26  Al  5.690750072093  3.959602449632  1.846269360732  0.560752940722  -0.740356443165  0.658640615621  -0.000110517189  0.000757885134  0.000458803250
  27  Al  5.696947198884  5.813007480857  0.097519510909  0.098113264007  -0.405836321326  -1.173151809090  -0.001714240542  -0.000778498416  -0.002332462721
  28  Al  3.873418997938  3.912047979712  3.955741935227  -0.157367484234  -0.242795457540  -0.320039668503  0.000254576645  0.001152754000  0.000702632031
  29  Al  3.754052830252  5.804476906771  5.984257829740  0.524665115786  -0.128961928323  -0.595736393061  0.000732617602  0.000373690982  0.002648260440
  30  Al  5.794200382527  3.736200039773  5.808292261112  -0.247161018881  1.108735426713  -0.473291268330  -0.000341999134  0.001594642233  -0.001475005858
  31  Al  5.870390242249  5.724345360280  3.828850249678  -0.662541205855  0.357597447995  0.192908363694  -0.000119520277  0.000448878538  -0.000948359382


MDSTEP:  77
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.683356264414  0.000000000000  0.000000000000
  0.000024714585  7.685301365830  0.000000000000
  0.000265255445  -0.000925506107  7.721814914711
VIRIAL (kbar)
  80.239421167096  0.068170026955  1.994353240205
  0.068170026955  78.598753750612  -0.558425931412
  1.994353240205  -0.558425931412  89.722421517260
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.571623296966  7.638546333611  7.624403772707  0.653927437395  -0.020275763579  0.160083300757  0.000132924467  -0.001214845964  -0.002946360061
  1  Al  7.640930795552  1.840335870254  1.791912230873  0.215355361758  0.478399598319  0.383659506856  0.000387272776  -0.000168931459  -0.002524334193
  2  Al  1.835728431565  7.577146295055  1.882981514738  0.076365979955  1.071409269256  0.432543716609  -0.002030349854  0.001286769267  0.000790522660
  3  Al  1.827719052972  1.866021190221  7.666753120443  0.277267178950  0.016953809426  0.262188149313  -0.001848242236  -0.001738084865  -0.001585307750
  4  Al  0.052203923827  7.589223898980  4.017721769590  -0.008252474857  0.526111784131  -1.154226080621  0.002223268697  -0.000568438001  -0.001086967254
  5  Al  0.019462344867  1.908954892138  5.847741907915  -0.166349474341  0.018105274685  -0.574488551435  0.000229630322  -0.000616699349  -0.000888197554
  6  Al  1.879162627494  0.006113493581  5.778952742403  0.412021104848  -0.144331333120  0.310298523660  -0.000083850650  0.000693204220  0.001146625445
  7  Al  1.897570225752  1.934378136875  3.946293071048  -0.062335536484  -0.146738625862  -0.481809989095  -0.001237590957  -0.000543446161  0.000850846892
  8  Al  7.624948125734  3.951244950149  7.569241363640  0.182920759939  -0.454976894326  0.905477963495  -0.000975894552  0.000969133658  -0.000326667998
  9  Al  0.040635896102  5.739046732655  1.930251490611  -0.276469952266  -0.038441373361  -0.047630315630  0.000252480454  -0.000982416297  0.000274192252
  10  Al  1.977376369052  3.746483894631  1.946471418734  -0.463759304098  0.410055856718  0.266375325397  -0.000803455510  0.000428681807  0.002367099218
  11  Al  1.934579619773  5.806264075821  0.162021853223  -0.020183116849  -0.275608620123  -0.832641257486  -0.000356446232  0.000197736101  0.001926225433
  12  Al  7.655691397646  3.879332998514  3.767391049013  0.510285513491  -0.486126549633  0.349759351365  0.002269881547  -0.000832420190  -0.000708713000
  13  Al  0.008165287789  5.711267363223  5.691512324004  -0.087908936711  0.087043769786  0.615106560444  -0.000162844207  -0.001240198711  0.000087808431
  14  Al  1.883748987614  3.770300777830  5.819127972007  0.204287646908  0.369865233211  -0.375573574394  -0.000798671302  -0.001345536786  -0.001160485488
  15  Al  2.007320398241  5.762674869396  3.737827591078  -0.609931197375  -0.217096611089  0.958054234548  -0.000934050017  -0.001288201255  0.000145928348
  16  Al  3.996592926859  0.157155868284  0.024150866026  -0.602083453081  -0.832216930331  0.024704498804  0.002345006288  0.001382872268  0.001624923387
  17  Al  3.702562524489  1.791938804316  1.909761765203  0.720222159471  0.602905896259  0.224549507785  -0.000041062832  -0.001196472271  0.000142139310
  18  Al  5.849518512320  7.561407116345  1.794882458179  -0.277318490395  0.935715354950  0.849960165922  0.000153902963  0.000113929464  0.000032206129
  19  Al  5.787942908780  2.033242024066  7.551017862211  -0.005246205675  -0.823570464366  1.314021550995  -0.000333541740  -0.001083516831  0.000512043452
  20  Al  3.873138518886  0.134376904431  3.876143795206  -0.245221460545  -0.741954691527  0.172177216238  -0.000367497059  0.000095422282  0.000745536862
  21  Al  3.880838850311  1.893956635933  5.847066862249  -0.286496134006  0.357290486176  -0.202346158742  0.000356212731  0.001044642597  0.001493483955
  22  Al  5.761238785437  0.042655847776  5.823470966234  -0.143276052604  -0.242772864614  -0.141212768519  -0.000582800374  0.001322579775  0.000907465004
  23  Al  5.868480834462  1.945191486228  3.844639468277  -0.351113583322  -0.056925793229  -0.021798542550  0.000947526457  0.000399705241  0.000365720905
  24  Al  3.886529491300  3.812943798344  0.130184797226  -0.277823821351  0.068762233812  -0.939766532461  0.000896371574  -0.000885784753  -0.000995345994
  25  Al  3.810512926439  5.912800495594  2.053693297786  0.505601663833  -0.406942354002  -0.756103736014  0.001640772774  0.002226309335  0.000061890796
  26  Al  5.687917728074  3.957969657816  1.845926278858  0.565352438121  -0.744425859467  0.659599921839  -0.000009920581  0.000625972617  0.000577174476
  27  Al  5.693281253468  5.809705950896  0.096268657950  0.106672934664  -0.400476348885  -1.166761414249  -0.001697907645  -0.000851595487  -0.002544103033
  28  Al  3.871644005010  3.910649716898  3.954789251875  -0.161946410235  -0.246437445244  -0.320294351418  0.000226304625  0.001110364362  0.000646064952
  29  Al  3.752615375786  5.801743526193  5.983604546546  0.516137675572  -0.127492556781  -0.603839777304  0.000826550297  0.000351247526  0.002543630734
  30  Al  5.791182638020  3.735162918841  5.805639497360  -0.242162042644  1.105468254459  -0.469629330035  -0.000386154471  0.001794554007  -0.001560829708
  31  Al  5.867418824337  5.721720275134  3.827136091528  -0.658540208064  0.358724258351  0.199562885928  -0.000237823414  0.000513463856  -0.000914209622


MDSTEP:  78
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.679781239533  0.000000000000  0.000000000000
  0.000024835959  7.681691049097  0.000000000000
  0.000301277368  -0.000957653261  7.719538030746
VIRIAL (kbar)
  81.894589803472  0.080737279134  2.060659244096
  0.080737279134  80.235896349744  -0.453074027624
  2.060659244096  -0.453074027624  91.255281050144
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.568231796675  7.634317256622  7.620689073753  0.649317755328  -0.018936907777  0.173112737792  0.000249692755  -0.001219841305  -0.002919494403
  1  Al  7.637587263227  1.839400649513  1.790138401406  0.208880269097  0.484129555914  0.389104620340  0.000425703652  -0.000083083740  -0.002457731125
  2  Al  1.833871105138  7.574270333346  1.882841022145  0.083153588899  1.071221114874  0.430562642675  -0.002018460993  0.001479957690  0.000868510352
  3  Al  1.825992496075  1.864243647457  7.663711260519  0.288924453450  0.024815190096  0.272211613023  -0.001799734038  -0.001736419508  -0.001539088997
  4  Al  0.053310225800  7.585380952747  4.015941830123  -0.020341098871  0.529304226108  -1.152263689894  0.002223320901  -0.000474721176  -0.001294352513
  5  Al  0.019588117760  1.907725798158  5.845547691359  -0.178023550252  0.025037596775  -0.575763281838  0.000199105081  -0.000613583365  -0.000991966062
  6  Al  1.878291785033  0.006426515244  5.777836118624  0.419862839370  -0.149921847300  0.309244377835  -0.000009549393  0.000667720724  0.001203182771
  7  Al  1.896084004075  1.933174403187  3.945533489850  -0.055814886904  -0.143339511015  -0.486446789670  -0.001249614232  -0.000570013430  0.000765090136
  8  Al  7.620955835553  3.949821240793  7.566886545838  0.183356424672  -0.463370885385  0.909012408144  -0.000944266822  0.000888116072  -0.000164698194
  9  Al  0.040740051477  5.735849465721  1.929817344337  -0.283374240052  -0.036440180675  -0.051919991160  0.000202693012  -0.000990259998  0.000265561365
  10  Al  1.976042885460  3.744948450293  1.947093341255  -0.455997861009  0.402470345531  0.255556869903  -0.000886696314  0.000501918389  0.002416142339
  11  Al  1.933501138187  5.803622383300  0.162900313392  -0.012551325420  -0.277840427507  -0.839626119579  -0.000359812948  0.000148501192  0.001778570974
  12  Al  7.653305088401  3.877056628913  3.765941333652  0.499270876529  -0.488735300034  0.353095901623  0.002362846265  -0.000920613736  -0.000646553166
  13  Al  0.008102849808  5.707943946555  5.689905513328  -0.091483938190  0.091303760014  0.612961962353  -0.000179082929  -0.001225695461  0.000197739402
  14  Al  1.882509450389  3.767848575010  5.816814891445  0.210456338149  0.374640799165  -0.372698731493  -0.000762489554  -0.001280542216  -0.001228570710
  15  Al  2.005909553881  5.759297945405  3.736841248825  -0.603546007298  -0.214695579391  0.959205772243  -0.001043690728  -0.001328330472  0.000317561342
  16  Al  3.995879450581  0.157736432223  0.024957593317  -0.613834403895  -0.839176326712  0.017906205257  0.002238958156  0.001235019084  0.001630354286
  17  Al  3.700860359669  1.790517448410  1.909279775709  0.720211916938  0.613217269228  0.225102558485  0.000087736640  -0.001089086351  0.000182499698
  18  Al  5.846869880013  7.557946228781  1.794407308232  -0.270037470858  0.937852902532  0.845933760069  0.000105119387  0.000281659570  0.000183925888
  19  Al  5.785118126556  2.031676259187  7.549106178559  0.002916267316  -0.814854481150  1.312656899716  -0.000334147060  -0.001231333081  0.000747494641
  20  Al  3.871159741827  0.134311996756  3.875381453839  -0.243660453464  -0.741492006446  0.175353846052  -0.000411666620  -0.000037146394  0.000777364561
  21  Al  3.879225881351  1.893580718861  5.846080732025  -0.290348057950  0.357287833366  -0.207948464048  0.000305010925  0.001109819414  0.001458274147
  22  Al  5.758287465479  0.043261912125  5.822201414396  -0.142480371840  -0.248054176235  -0.148096651865  -0.000609053095  0.001280243831  0.000882492497
  23  Al  5.866226528034  1.944458852953  3.843687772971  -0.351235276887  -0.055887559236  -0.024213867648  0.000885801880  0.000390090229  0.000361969896
  24  Al  3.885157712832  3.810712068196  0.129606563243  -0.286241205580  0.067728154220  -0.934904549804  0.000846974590  -0.000874637045  -0.001164016309
  25  Al  3.809592897009  5.911109535856  2.053084901486  0.498796555825  -0.410807246754  -0.759026303531  0.001732533243  0.002155768969  -0.000073566915
  26  Al  5.685300181395  3.956382367281  1.845700149138  0.567338358863  -0.751266218619  0.657672476447  0.000091381198  0.000492927590  0.000695571975
  27  Al  5.689788273527  5.806532470715  0.094915631552  0.113800594455  -0.395977867253  -1.157961150396  -0.001680135931  -0.000923895636  -0.002754571491
  28  Al  3.869967082526  3.909340292747  3.953931957490  -0.163478477249  -0.253870530815  -0.320789553525  0.000197451433  0.001066925584  0.000589367756
  29  Al  3.751333892943  5.799162797615  5.983085468411  0.510549344413  -0.127970979680  -0.609606794272  0.000919323940  0.000328861816  0.002437630468
  30  Al  5.788311308277  3.734330743020  5.803125948662  -0.238529355472  1.096500635247  -0.462839756698  -0.000429584696  0.001993592348  -0.001645789280
  31  Al  5.864558377993  5.719289087857  3.825559262713  -0.655857602113  0.357128648914  0.205411043465  -0.000355665363  0.000578080417  -0.000878898334


MDSTEP:  79
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.676430413458  0.000000000000  0.000000000000
  0.000025022986  7.678300844919  0.000000000000
  0.000339221679  -0.000989831772  7.717505536741
VIRIAL (kbar)
  83.424932141746  0.094439347087  2.125444448746
  0.094439347087  81.741640365043  -0.344432404047
  2.125444448746  -0.344432404047  92.654836585347
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.565121341331  7.630304777963  7.617230072300  0.647372875785  -0.020988537201  0.185367879753  0.000366010270  -0.001224896928  -0.002890310454
  1  Al  7.634485992021  1.838561364317  1.788455156276  0.205293022211  0.487525445778  0.396122879793  0.000463276623  0.000003682613  -0.002389921902
  2  Al  1.832074558373  7.571707706760  1.882798939186  0.088887951949  1.065544588747  0.430018463151  -0.002005424226  0.001672838306  0.000946340550
  3  Al  1.824346356675  1.862521105959  7.660935810969  0.299109705333  0.030767265982  0.280923507417  -0.001749201170  -0.001733503108  -0.001491132786
  4  Al  0.054418121640  7.581802496712  4.014185556715  -0.029374952272  0.528372704212  -1.148664049807  0.002221469992  -0.000380693760  -0.001501432574
  5  Al  0.019700087064  1.906553376730  5.843486710445  -0.186440774568  0.029937667593  -0.578166561769  0.000166747556  -0.000609403200  -0.001096156210
  6  Al  1.877514736290  0.006726563411  5.776930487958  0.425378492871  -0.158344739859  0.305798278603  0.000066031718  0.000640950396  0.001259381252
  7  Al  1.894648692318  1.932013050295  3.944855602847  -0.050647313130  -0.141776475971  -0.489920336006  -0.001260595719  -0.000596165642  0.000678515037
  8  Al  7.617203992504  3.948469595878  7.564852492326  0.186612995812  -0.467768177245  0.910980970038  -0.000912266667  0.000805856800  -0.000002073878
  9  Al  0.040820660609  5.732812945933  1.929439746317  -0.286749589459  -0.032419581776  -0.054148865071  0.000151926531  -0.000997567287  0.000256336139
  10  Al  1.974726512513  3.743556494148  1.947800612981  -0.449443501384  0.398626611390  0.246312800929  -0.000968748757  0.000574215663  0.002463414709
  11  Al  1.932477934516  5.801122218339  0.163709501353  -0.006818455364  -0.277698329968  -0.845175425812  -0.000361984629  0.000099017563  0.001629630663
  12  Al  7.651188649784  3.874847324962  3.764642179416  0.490674198644  -0.486815641350  0.356865312612  0.002454146342  -0.001008963999  -0.000583689446
  13  Al  0.008033863992  5.704791811402  5.688533706423  -0.092236356715  0.097949286725  0.608235081768  -0.000195727697  -0.001210188555  0.000307162728
  14  Al  1.881344891843  3.765537360032  5.814652206622  0.214750736936  0.381977576510  -0.371292169326  -0.000725322191  -0.001214380560  -0.001296327831
  15  Al  2.004503914157  5.756066383628  3.736059075859  -0.598318804415  -0.209976210715  0.959066013888  -0.001152414488  -0.001367856352  0.000489451745
  16  Al  3.995228549100  0.158246947666  0.025767291938  -0.628078843016  -0.848984587623  0.010886669098  0.002130442865  0.001085484541  0.001634537842
  17  Al  3.699331141398  1.789201832818  1.908878420523  0.716601375789  0.620672325463  0.227223284082  0.000216360829  -0.000979977032  0.000223137376
  18  Al  5.844368341706  7.554785852915  1.794064658696  -0.261089697105  0.935119668723  0.842532879639  0.000057727892  0.000449533640  0.000335129868
  19  Al  5.782464259009  2.030095426803  7.547551106840  0.012435857681  -0.806342976224  1.308508730969  -0.000333172160  -0.001377767010  0.000982678502
  20  Al  3.869273006093  0.134184640007  3.874757755087  -0.245045332959  -0.744297138325  0.178408551020  -0.000455869529  -0.000170078504  0.000809773156
  21  Al  3.877701771197  1.893291407246  5.845261609222  -0.296941042422  0.355003014039  -0.214949083530  0.000252812318  0.001174859039  0.001421887137
  22  Al  5.755492735082  0.043847500653  5.821103259770  -0.139732713807  -0.256559209478  -0.156647691695  -0.000635015008  0.001236615483  0.000856105572
  23  Al  5.864113359393  1.943777080311  3.842855727675  -0.349569238889  -0.056555539090  -0.025833920307  0.000824136586  0.000380494225  0.000357850496
  24  Al  3.883874135642  3.808595264096  0.128948437591  -0.296891133975  0.070128164695  -0.929234833385  0.000795810880  -0.000863351547  -0.001331899876
  25  Al  3.808829850715  5.909551993723  2.052473619901  0.487761093584  -0.412935293760  -0.759032616787  0.001822792887  0.002084591676  -0.000209420153
  26  Al  5.682899848716  3.954841461159  1.845591495276  0.569856330412  -0.753210587241  0.656477704826  0.000193201090  0.000358940377  0.000813800438
  27  Al  5.686471056545  5.803489618382  0.093461107738  0.122506499653  -0.389330113919  -1.147503343079  -0.001660909787  -0.000995281205  -0.002963497727
  28  Al  3.868389603696  3.908120574525  3.953171370383  -0.167894620554  -0.257319890131  -0.320901212492  0.000168031349  0.001022453719  0.000532553982
  29  Al  3.750209417445  5.796736934182  5.982702175471  0.501739239559  -0.126702375854  -0.617062300445  0.001010910202  0.000306515993  0.002330317287
  30  Al  5.785588957774  3.733704290725  5.800754155199  -0.233057704034  1.089257186294  -0.456569507441  -0.000472245732  0.002191396937  -0.001729648005
  31  Al  5.861811377702  5.717053905504  3.824121596709  -0.650650302150  0.357143899581  0.211372909368  -0.000472935825  0.000642627722  -0.000842486637


MDSTEP:  80
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.673306432552  0.000000000000  0.000000000000
  0.000025277304  7.675133370450  0.000000000000
  0.000379130114  -0.001021996787  7.715719787216
VIRIAL (kbar)
  84.823969610125  0.108045495632  2.187926626620
  0.108045495632  83.121225711615  -0.234336475572
  2.187926626620  -0.234336475572  93.908882917241
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.562294457672  7.626511327555  7.614030121599  0.643063060951  -0.020540249520  0.198050824251  0.000481901282  -0.001230091759  -0.002858836281
  1  Al  7.631629327878  1.837818986363  1.786863628952  0.200119671550  0.491811468158  0.401915448283  0.000500106242  0.000091238347  -0.002320874637
  2  Al  1.830339900842  7.569460609368  1.882855843752  0.096045048412  1.060236105657  0.427878140392  -0.001991204535  0.001864949084  0.001023996824
  3  Al  1.822782189430  1.860854735738  7.658429865152  0.310266882426  0.038125886769  0.289668689950  -0.001696686024  -0.001729378305  -0.001441552091
  4  Al  0.055526902029  7.578491076850  4.012454384060  -0.040115790929  0.529031022318  -1.143624747834  0.002217833554  -0.000286583209  -0.001707926961
  5  Al  0.019797532413  1.905438735323  5.841560467841  -0.196826771663  0.036041988899  -0.578994176759  0.000132671423  -0.000604231423  -0.001200725775
  6  Al  1.876832680470  0.007012928348  5.776237357668  0.431416901315  -0.164125816619  0.302686266099  0.000142731557  0.000612874724  0.001315034756
  7  Al  1.893265391980  1.930894874807  3.944260290839  -0.044129433757  -0.139326409550  -0.492904954188  -0.001270533559  -0.000621986578  0.000591270076
  8  Al  7.613695542822  3.947191005259  7.563141743597  0.188228061150  -0.474690509584  0.912258786322  -0.000879788427  0.000722486865  0.000161000366
  9  Al  0.040877433596  5.729939470546  1.929119089510  -0.291386853036  -0.029200307410  -0.057242151424  0.000100383402  -0.001004228014  0.000246623078
  10  Al  1.973428474804  3.742309009934  1.948593083350  -0.440836336176  0.392280595051  0.235209909356  -0.001049534133  0.000645681962  0.002508887091
  11  Al  1.931511180157  5.798765555814  0.164448962194  -0.000017652963  -0.277956533795  -0.849194759581  -0.000363033821  0.000049462060  0.001479670878
  12  Al  7.649344065580  3.872706545629  3.763495078286  0.479395710658  -0.486628344902  0.360469488129  0.002543753551  -0.001097219240  -0.000520098267
  13  Al  0.007958286561  5.701813505850  5.687398262427  -0.094397757801  0.103600994547  0.603413752151  -0.000212652315  -0.001193552000  0.000415836081
  14  Al  1.880256371670  3.763369098527  5.812641759398  0.219480320221  0.386414632817  -0.368279316200  -0.000687296933  -0.001147081073  -0.001363742209
  15  Al  2.003104591122  5.752982543416  3.735482272296  -0.591029202991  -0.205579776612  0.957047086342  -0.001260137295  -0.001406598474  0.000661312439
  16  Al  3.994640342179  0.158686566796  0.026579386890  -0.640881692553  -0.855306432833  0.004146380833  0.002019364132  0.000934325293  0.001637477217
  17  Al  3.697975883018  1.787993259023  1.908558491657  0.713867538496  0.629069136855  0.228004183296  0.000344563711  -0.000869314690  0.000264072053
  18  Al  5.842016707687  7.551928401067  1.793854814382  -0.252963076774  0.932989779483  0.836931817190  0.000011806237  0.000617167427  0.000485673421
  19  Al  5.779984182738  2.028500940611  7.546354686737  0.020916548599  -0.795850378734  1.302233846776  -0.000330586898  -0.001522655323  0.001217150258
  20  Al  3.867479515601  0.133994601501  3.874274186877  -0.244803764651  -0.744037764191  0.181036558245  -0.000500222984  -0.000303390648  0.000842713124
  21  Al  3.876267287343  1.893089228062  5.844610676244  -0.301340255650  0.353077222400  -0.220667976680  0.000199567532  0.001239587698  0.001384311479
  22  Al  5.752856830386  0.044411917441  5.820177527304  -0.137610723932  -0.261669791330  -0.164376924926  -0.000660566378  0.001191708480  0.000828227404
  23  Al  5.862143519463  1.943146799734  3.842144367994  -0.348778340225  -0.056344575948  -0.026978915635  0.000762612848  0.000370843188  0.000353475896
  24  Al  3.882679151047  3.806594880443  0.128210872815  -0.305966761137  0.069770926786  -0.921779172968  0.000742820157  -0.000851867245  -0.001498759857
  25  Al  3.808224204320  5.908129731214  2.051860025820  0.477048737620  -0.415605557177  -0.759177549286  0.001911198347  0.002012883612  -0.000345417945
  26  Al  5.680718964908  3.953348087696  1.845600836205  0.570598735232  -0.756470037945  0.653359861422  0.000295426621  0.000224331952  0.000931750410
  27  Al  5.683332308788  5.800579915301  0.091905898842  0.130794105857  -0.382917410664  -1.134358673983  -0.001640122967  -0.001065578248  -0.003170486006
  28  Al  3.866912523596  3.906991618588  3.952508680941  -0.170676277696  -0.263122982375  -0.321369758844  0.000137932392  0.000977093505  0.000475626855
  29  Al  3.749242545672  5.794468059067  5.982455850729  0.493578624001  -0.125977231689  -0.623530052810  0.001101075813  0.000284317834  0.002221628451
  30  Al  5.783018075899  3.733284343930  5.798526372333  -0.227601907259  1.077229137876  -0.448420199639  -0.000513972612  0.002387688718  -0.001812280685
  31  Al  5.859180278714  5.715016739363  3.822824783593  -0.645457347296  0.355671213264  0.216588291721  -0.000589407571  0.000707115485  -0.000805030439


