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


MDSTEP:  1
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.099871706757  0.000000000000  0.000000000000
  0.000000000000  8.099872495095  0.000000000000
  0.000000000000  0.000000000000  8.099873907233
VIRIAL (kbar)
  -83.305146186393  -0.000387928311  0.000090392743
  -0.000387928311  -83.305393912355  -0.000999821620
  0.000090392743  -0.000999821620  -83.300521367936
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.097655418171  8.099227993425  8.098869736071  0.006572692325  -0.000143666096  -0.004136804394  -0.004424556355  -0.001281532276  -0.002001239397
  1  Al  8.098821218901  2.023467537912  2.022977423798  0.006147007936  0.002980880584  -0.000007609011  -0.002092955448  -0.002999077086  -0.003980293541
  2  Al  2.023706944379  8.097823920354  2.023849940514  0.002562765754  0.000060060965  0.004171538151  -0.002519899946  -0.004089705102  -0.002234858900
  3  Al  2.023624111843  2.024343151304  8.099527460930  0.001585627888  -0.001165989619  -0.007765760520  -0.002685655039  -0.001248193035  -0.000686093306
  4  Al  0.000336337769  8.098292036958  4.053146168957  0.004472439680  0.001422730953  -0.009285003147  0.000673086194  -0.003153335101  0.006421454355
  5  Al  0.000288801436  2.024939713797  6.076121333964  -0.000819259311  -0.001487954186  -0.002821003536  0.000577538921  -0.000055077756  0.002437221723
  6  Al  2.024407814876  8.099515550065  6.074435155979  -0.002946437497  0.007076609353  0.002308753637  -0.001118628929  -0.000705764310  -0.000934728977
  7  Al  2.024819316231  2.025415730154  4.051161383211  -0.001493019863  -0.004082124250  0.001038668597  -0.000295483046  0.000896738259  0.002452743028
  8  Al  8.099006927596  4.051873952940  8.097114715832  0.000516910229  -0.005496358464  0.005588139578  -0.001722035414  0.003878733626  -0.005510465971
  9  Al  0.000627404558  6.074643723594  2.024752026058  0.000844509745  0.000389971162  0.002929679308  0.001254904800  -0.000515640539  -0.000430770304
  10  Al  2.026196065044  4.047615772529  2.024627255489  -0.002827271421  0.014450120918  0.004484226089  0.002457939589  -0.004635980135  -0.000680176411
  11  Al  2.025466020597  6.075565048785  0.002251169914  -0.005080827210  0.001599336344  0.004058311987  0.000997625742  0.001327147420  0.004502773838
  12  Al  8.098713080252  4.050662023656  4.048163086267  0.007398948100  0.001239034372  0.007189398163  -0.002309124302  0.001455438451  -0.003543395811
  13  Al  0.000177022469  6.074173601971  6.073029436670  0.001084610205  0.001525414851  0.005371054753  0.000354147597  -0.001455797309  -0.003745938283
  14  Al  2.024637411929  4.049169064708  6.075731255571  -0.004474781477  -0.004441631593  -0.002943570727  -0.000659564069  -0.001531035035  0.001657041642
  15  Al  2.026954407271  6.075213747211  4.047894934444  -0.008690400510  -0.002857184007  -0.001500065226  0.003974124276  0.000624134626  -0.004080484775
  16  Al  4.052257347553  0.002483394384  8.099750990424  -0.002272214592  -0.000734929152  0.006036148718  0.004646612152  0.004966802474  -0.000237793359
  17  Al  4.047142403989  2.022796196865  2.024638639138  0.010372697543  0.003493634903  -0.001007038388  -0.005582309068  -0.004341734805  -0.000657899672
  18  Al  6.076773459685  8.097784724592  2.022482553923  -0.008566189240  -0.000535035088  0.002944870427  0.003744281951  -0.004168151081  -0.004969784992
  19  Al  6.075712300581  2.027399582849  8.096868423416  -0.007576912809  -0.007675416585  0.000584223789  0.001622018047  0.004864185844  -0.006003505943
  20  Al  4.050662541754  0.002650111736  4.050186270361  -0.002906904492  -0.008675887143  -0.001166499106  0.001456892509  0.005299532586  0.000502289346
  21  Al  4.050466951260  2.024213131371  6.075397213784  0.000884959939  0.002249829862  0.005613553242  0.001066044220  -0.001507931683  0.000989712510
  22  Al  6.074921624284  0.000164888442  6.075174667657  0.000803974548  0.007627109108  0.003215340100  0.000041389268  0.000330464020  0.000544398818
  23  Al  6.076830365898  2.025349741743  4.049214175430  -0.005850813888  -0.001385655715  0.008566202921  0.003858338962  0.000765000391  -0.001441061156
  24  Al  4.050390210348  4.049685758986  0.002707355947  0.002990024897  -0.001695270657  -0.008237102579  0.000912748122  -0.000497384431  0.005414061121
  25  Al  4.049048182375  6.077311903468  2.027250558169  0.001242179273  -0.004936996891  -0.005173745720  -0.001771507255  0.004820328295  0.004565648492
  26  Al  6.073650210594  4.051722555987  2.023302170088  -0.000424086958  0.001586665437  0.001864915133  -0.002501588802  0.003576568101  -0.003330623289
  27  Al  6.073934887139  6.075993603189  0.002193315337  0.001940172089  -0.003885839363  -0.004243886951  -0.001932015189  0.002183779557  0.004386320638
  28  Al  4.050449823828  4.050943697595  4.051777649142  -0.001453886666  -0.000919522397  -0.008968102465  0.001031579714  0.002018602361  0.003684399775
  29  Al  4.047800523726  6.075591908158  6.078096567158  0.012031985546  -0.001548284708  -0.007896935132  -0.004265900082  0.001380585628  0.006387296792
  30  Al  6.075477698091  4.047739929451  6.075342276493  -0.000767037417  0.002892921694  0.003667136823  0.001153414322  -0.004388695537  0.000879662181
  31  Al  6.076930439625  6.073994931077  4.049757328735  -0.005301462346  0.003073425408  -0.004479034515  0.004058538748  -0.001813006418  -0.000355903612


MDSTEP:  2
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.099486935379  0.000000000000  0.000000000000
  0.000000000000  8.099490088190  0.000000000000
  0.000000000000  0.000000000000  8.099495751599
VIRIAL (kbar)
  -83.198330856436  -0.001270941025  0.000410686869
  -0.001270941025  -83.199063553602  -0.004317436335
  0.000410686869  -0.004317436335  -83.179438365370
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.095058766055  8.098204843916  8.097490821973  0.011500554593  0.000351708314  -0.009370362959  -0.004423157312  -0.001281576077  -0.002002543351
  1  Al  8.097390293692  2.021872600622  2.020892829266  0.011771641012  0.005391358580  0.000121952414  -0.002091456016  -0.002998474627  -0.003980475038
  2  Al  2.022350975085  8.095396758790  2.022638210013  0.005918398950  -0.001658893936  0.009416510203  -0.002519265152  -0.004090047175  -0.002233751755
  3  Al  2.022185225199  2.023623429987  8.098805927446  0.004096449761  -0.002993658275  -0.017216144239  -0.002685278607  -0.001248625690  -0.000688359771
  4  Al  0.000673065049  8.096333099549  4.056167255833  0.009256400189  0.001637504508  -0.017556615506  0.000674346543  -0.003153215054  0.006419363978
  5  Al  0.000577520770  2.024816508005  6.077056146138  -0.002684448454  -0.003001299762  -0.005633520374  0.000577253974  -0.000055481783  0.002436583270
  6  Al  2.023752202060  8.098780593911  6.073684299574  -0.005762257231  0.015660495166  0.003370881028  -0.001119462294  -0.000703765944  -0.000934266232
  7  Al  2.024575322078  2.025768294290  4.052198667076  -0.002302717511  -0.007970119974  0.003732666332  -0.000295836864  0.000895704434  0.002453287734
  8  Al  8.097761202062  4.053621780570  8.093981703779  -0.000698470062  -0.010657112241  0.010011921667  -0.001722135998  0.003877478345  -0.005509336726
  9  Al  0.001254865366  6.074099127693  2.024442242897  0.001792011699  0.000823101480  0.007468311724  0.001255201979  -0.000515557196  -0.000429861458
  10  Al  2.027328658186  4.045107332752  2.024192844494  -0.004381001045  0.029962283643  0.010247397471  0.002457415559  -0.004632235337  -0.000678892144
  11  Al  2.025868390225  6.075941858102  0.004502634795  -0.009637163322  0.003895301093  0.011022382827  0.000996358800  0.001327703270  0.004504338959
  12  Al  8.097174131633  4.051198561084  4.046202713409  0.014853560646  0.003200677154  0.014864617090  -0.002307248005  0.001455906236  -0.003541594825
  13  Al  0.000354136470  6.073159000285  6.070873177083  0.000955810065  0.002741020122  0.008608345132  0.000354347361  -0.001455486769  -0.003744868935
  14  Al  2.024211252492  4.048212180858  6.076275990150  -0.009130067034  -0.011296594747  -0.007854349565  -0.000660812670  -0.001532516604  0.001656156108
  15  Al  2.028844795218  6.075238867258  4.045665641019  -0.016941186581  -0.005424350958  -0.005085112645  0.003972027442  0.000623424635  -0.004081270044
  16  Al  4.054388057811  0.004966647359  8.099254213569  -0.003402192228  0.000135538884  0.012905781447  0.004646332461  0.004966990730  -0.000236111377
  17  Al  4.044159458049  2.020529984835  2.024215120537  0.020154997632  0.006332376914  -0.002034712195  -0.005579853291  -0.004341067753  -0.000658203298
  18  Al  6.078356551797  8.095318315260  2.019903368376  -0.017875084587  -0.003037228900  0.005420962406  0.003742101472  -0.004168673401  -0.004969276454
  19  Al  6.076234354585  2.029735617966  8.093488679026  -0.015445773440  -0.014911072913  -0.001376754008  0.001620039238  0.004862403425  -0.006003865967
  20  Al  4.051198438403  0.005299367069  4.050248273622  -0.006181692453  -0.017103659620  -0.003016228658  0.001456151339  0.005297485901  0.000501939598
  21  Al  4.050807602402  2.023363699455  6.075608681637  0.002389887247  0.004581794906  0.010988102834  0.001066389216  -0.001507394350  0.000991244393
  22  Al  6.074653775489  0.000330453710  6.075163381694  0.002224797095  0.017188507057  0.006555452716  0.000041662072  0.000332698663  0.000545298563
  23  Al  6.078470605227  2.025636560541  4.048304983145  -0.011841994381  -0.002344132991  0.019318136087  0.003856946195  0.000764704192  -0.001438637667
  24  Al  4.050654311124  4.049245799185  0.005413893921  0.007444670993  -0.004778293840  -0.014835253601  0.000913725709  -0.000497987396  0.005412259199
  25  Al  4.047970140097  6.079434929876  2.029438507389  0.002537362995  -0.009012793230  -0.008842996151  -0.001771256133  0.004819315874  0.004564615288
  26  Al  6.072110877330  4.053319624492  2.021542479459  -0.002256784424  0.004979370372  0.003686094668  -0.002501951013  0.003577329264  -0.003330287447
  27  Al  6.072680433047  6.076798463480  0.004386185180  0.003372435735  -0.007658427290  -0.006912743772  -0.001931634872  0.002182853815  0.004385534495
  28  Al  4.050773138976  4.051761707403  4.053430285775  -0.002759471530  -0.001858202793  -0.017885946366  0.001031253565  0.002018452318  0.003682176451
  29  Al  4.045475825670  6.075995294638  6.081006099220  0.024212187915  -0.002626838690  -0.016504069903  -0.004262868760  0.001380279590  0.006385422964
  30  Al  6.075765765596  4.045354609612  6.075498634704  -0.000963348178  0.003465457504  0.006892225587  0.001153316121  -0.004388340782  0.000880648574
  31  Al  6.078670798722  6.072801802334  4.049390107160  -0.010217514067  0.005986184462  -0.010506931691  0.004057350131  -0.001812284754  -0.000357260522


MDSTEP:  3
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.098846089594  0.000000000000  0.000000000000
  0.000000000000  8.098853182377  0.000000000000
  0.000000000000  0.000000000000  8.098865981235
VIRIAL (kbar)
  -83.021120108279  -0.002420055924  0.000274336267
  -0.002420055924  -83.023038196933  -0.009874669691
  0.000274336267  -0.009874669691  -82.979170703887
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.092207203299  8.096927266060  8.095859515755  0.018040465661  0.000799722677  -0.013068852959  -0.004420877198  -0.001281577092  -0.002004710154
  1  Al  8.095704410665  2.020214611887  2.018745461699  0.019121184880  0.011655375700  0.000822407522  -0.002088864774  -0.002997193822  -0.003980709980
  2  Al  2.020931593495  8.092715074597  2.021364484902  0.008138201441  -0.002563866101  0.015897393474  -0.002518214028  -0.004090756469  -0.002231667843
  3  Al  2.020682768456  2.022839854331  8.097831260883  0.004693574595  -0.000950837862  -0.024412542171  -0.002684711878  -0.001249079623  -0.000692136725
  4  Al  0.001010599223  8.094119905708  4.059060772723  0.015720741991  0.002178374080  -0.026982665622  0.000676634600  -0.003153129678  0.006415897092
  5  Al  0.000865982430  2.024629410879  6.077801670418  -0.002770918333  -0.001535120135  -0.009685066400  0.000576813353  -0.000055891853  0.002435409242
  6  Al  2.023032089794  8.097792560475  6.072745061675  -0.010174880473  0.024296147907  0.003093121336  -0.001120978471  -0.000700250791  -0.000933763292
  7  Al  2.024267112543  2.026056493920  4.053110403558  -0.004116638721  -0.009153420556  0.004714201307  -0.000296434914  0.000894246196  0.002454239746
  8  Al  8.096259392538  4.055241288030  8.090598137906  0.000362379717  -0.016618744060  0.015955860277  -0.001722306575  0.003875354328  -0.005507457170
  9  Al  0.001882447942  6.073363746976  2.024070236696  0.003613471879  -0.002050016875  0.012852314364  0.001255787672  -0.000515708705  -0.000428079225
  10  Al  2.028396765817  4.042474463258  2.023696466407  -0.007329246879  0.044774242920  0.016883214465  0.002456569158  -0.004625929420  -0.000676521060
  11  Al  2.026205849175  6.076128101172  0.006754949632  -0.015504210630  0.002229675747  0.018177712871  0.000994192392  0.001328358558  0.004507310934
  12  Al  8.095380507337  4.051608090960  4.044117968698  0.023090379523  0.004883619724  0.021019918911  -0.002304043982  0.001456747092  -0.003538670803
  13  Al  0.000531325072  6.071953813856  6.068529088780  0.002684492617  0.001004078468  0.011111457942  0.000354701730  -0.001455270009  -0.003743406395
  14  Al  2.023720278466  4.047127084308  6.076631261761  -0.015017957302  -0.017404282360  -0.012889242044  -0.000663025498  -0.001535206857  0.001654434452
  15  Al  2.030669528353  6.075072609287  4.043310208414  -0.026690300297  -0.010977388007  -0.009417334369  0.003968450785  0.000622008841  -0.004082894062
  16  Al  4.056390284457  0.007449761293  8.098506983013  -0.005152331870  0.000544205633  0.020881848080  0.004645946812  0.004967454402  -0.000233109610
  17  Al  4.041050447771  2.018200846348  2.023728536170  0.028536054831  0.012831942746  -0.002073946917  -0.005575955496  -0.004339706535  -0.000658623434
  18  Al  6.079745875502  8.092597262466  2.017261913281  -0.026000279263  -0.004854098108  0.008595811290  0.003738484249  -0.004169717053  -0.004968422021
  19  Al  6.076562922361  2.032006547321  8.089857377511  -0.022471905768  -0.019593885054  -0.001231096331  0.001616781485  0.004859712998  -0.006004580833
  20  Al  4.051605700650  0.007946932073  4.050184184822  -0.011442662442  -0.024990646452  -0.006007953973  0.001454694495  0.005294152256  0.000501173083
  21  Al  4.051020397402  2.022451098340  6.075632391084  0.002945890481  0.010072780826  0.015253767485  0.001066953269  -0.001506206461  0.000993670023
  22  Al  6.074194068604  0.000497545552  6.074963954444  0.004526099105  0.026867473962  0.009170875572  0.000042269022  0.000336664383  0.000546748294
  23  Al  6.079917612007  2.025859521797  4.047271753913  -0.016801487193  0.000171889070  0.028399907601  0.003854700119  0.000764572016  -0.001434486966
  24  Al  4.050791012343  4.048678177952  0.008118942802  0.010080606113  -0.007667008076  -0.020847135000  0.000915367082  -0.000499140437  0.005409503340
  25  Al  4.046764341768  6.081366129759  2.031562625081  0.002645103822  -0.016714401947  -0.011977283520  -0.001770937344  0.004817406709  0.004563120135
  26  Al  6.070379363214  4.054789779904  2.019720314886  -0.002340575365  0.007789414596  0.007138775482  -0.002502566195  0.003578761008  -0.003329586876
  27  Al  6.071234283903  6.077411698564  0.006578305104  0.005763065941  -0.014169655161  -0.008542456937  -0.001930975757  0.002181079385  0.004384504627
  28  Al  4.050968138690  4.052452240263  4.054955405303  -0.005260522267  -0.002905718749  -0.028241371675  0.001030620706  0.002018190137  0.003678347974
  29  Al  4.043025385664  6.076207530172  6.083725252766  0.034740128102  -0.007373720064  -0.025354369942  -0.004257946109  0.001379497473  0.006382193030
  30  Al  6.075861655935  4.042842483748  6.075466871653  -0.000243996187  0.004343742679  0.008542415648  0.001153302294  -0.004387998580  0.000882099133
  31  Al  6.080218064365  6.071418389832  4.048896149677  -0.013383927708  0.005080122831  -0.017779685766  0.004055571181  -0.001811442399  -0.000359818091


MDSTEP:  4
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.097949839781  0.000000000000  0.000000000000
  0.000000000000  8.097962445737  0.000000000000
  0.000000000000  0.000000000000  8.097985338307
VIRIAL (kbar)
  -82.772589332653  -0.004270156618  0.000541450339
  -0.004270156618  -82.775704231049  -0.017703944486
  0.000541450339  -0.017703944486  -82.697476578311
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.089102052091  8.095395987324  8.093976258780  0.023570435862  0.001114496494  -0.018227418011  -0.004417661692  -0.001281551386  -0.002007733170
  1  Al  8.093764928984  2.018494343955  2.016535628550  0.024678459369  0.013623076238  0.000410121736  -0.002085187360  -0.002995273939  -0.003981046554
  2  Al  2.019449203897  8.089779516660  2.020029563366  0.011382497427  -0.003354296628  0.020299529755  -0.002516756274  -0.004091749797  -0.002228682150
  3  Al  2.019117003360  2.021992792822  8.096603570331  0.006664878996  -0.003429817631  -0.033506928499  -0.002684002871  -0.001249613018  -0.000697392656
  4  Al  0.001349507947  8.091653219438  4.061826152434  0.019960374274  0.002633259781  -0.035283931281  0.000679901894  -0.003153057314  0.006411050267
  5  Al  0.001154169922  2.024378721354  6.078358064935  -0.004409525176  -0.004043518168  -0.012259091118  0.000576237240  -0.000056396950  0.002433720673
  6  Al  2.022247268196  8.096552900450  6.071617987988  -0.013032459143  0.032674694588  0.005135722481  -0.001123181281  -0.000695236814  -0.000933132397
  7  Al  2.023894697554  2.026280376773  4.053897014940  -0.004960537264  -0.013823799255  0.007291833370  -0.000297280295  0.000892293411  0.002455588584
  8  Al  8.094502290393  4.056732217910  8.086965373809  -0.000615461522  -0.022149715349  0.020417939689  -0.001722525822  0.003872328034  -0.005504823315
  9  Al  0.002510296061  6.072437833427  2.023636680714  0.003752415566  -0.000785600875  0.016485822761  0.001256589576  -0.000516020744  -0.000425504314
  10  Al  2.029400254656  4.039718892109  2.023138910104  -0.009132737218  0.059966362088  0.022264236612  0.002455377829  -0.004617090104  -0.000673097038
  11  Al  2.026478025419  6.076124110115  0.009008686996  -0.020172049433  0.004952584336  0.023743932596  0.000991116276  0.001329151425  0.004511564778
  12  Al  8.093333649121  4.051891075806  4.041909826228  0.030200430416  0.006476022919  0.028881485864  -0.002299542582  0.001457928005  -0.003534606559
  13  Al  0.000708737435  6.070558410417  6.065998007929  0.002441940618  0.003241168787  0.015252827833  0.000355200549  -0.001455055609  -0.003741469449
  14  Al  2.023164141123  4.045913586210  6.076797152254  -0.019599845723  -0.023566104145  -0.016953470843  -0.000666196173  -0.001539044003  0.001651952067
  15  Al  2.032427842422  6.074714968525  4.040828681215  -0.035052407175  -0.012978082946  -0.011762585673  0.003963383759  0.000619937703  -0.004085245874
  16  Al  4.058264135674  0.009932697784  8.097510757474  -0.005986410695  0.000655610345  0.027059795627  0.004645481345  0.004968125376  -0.000228849584
  17  Al  4.037816542299  2.015809594963  2.023179077877  0.038771611386  0.015233911899  -0.003592898551  -0.005570574451  -0.004337689794  -0.000659203994
  18  Al  6.080941150405  8.089622134758  2.014558732018  -0.035343386122  -0.006690185612  0.011249489770  0.003733426645  -0.004171222341  -0.004967205387
  19  Al  6.076697853986  2.034212045954  8.085975363491  -0.030673206248  -0.028122601290  -0.002512845912  0.001612214652  0.004855998416  -0.006005589470
  20  Al  4.051884171258  0.010592021759  4.049994100113  -0.014264763775  -0.033655891651  -0.007340574604  0.001452562208  0.005289509780  0.000500035916
  21  Al  4.051105704960  2.021476008670  6.075469265317  0.005033944746  0.011626903182  0.021248055731  0.001067788506  -0.001504437339  0.000997044966
  22  Al  6.073543211510  0.000667024215  6.074577168220  0.005314229252  0.036058075668  0.012790526704  0.000043153616  0.000342328406  0.000548773101
  23  Al  6.081171387101  2.026019005927  4.046115692123  -0.023000169439  -0.001800740208  0.038908219614  0.003851581732  0.000764513154  -0.001428630327
  24  Al  4.050800870962  4.047982978599  0.010821884535  0.014633127958  -0.010442059671  -0.028615817925  0.000917681097  -0.000500816108  0.005405688265
  25  Al  4.045431159103  6.083105242966  2.033622748602  0.004692819520  -0.020453111913  -0.016620980518  -0.001770483473  0.004814630451  0.004561075460
  26  Al  6.068456201531  4.056133553500  2.017836220176  -0.003607989778  0.010743244668  0.008998802562  -0.002503383718  0.003580824026  -0.003328517797
  27  Al  6.069597185537  6.077833194482  0.008769464099  0.007003283532  -0.017147424528  -0.012123312337  -0.001930054831  0.002178527010  0.004383149105
  28  Al  4.051034918914  4.053015506116  4.056352398221  -0.006288161201  -0.003379168991  -0.036828242290  0.001029705860  0.002017857265  0.003672943303
  29  Al  4.040450544780  6.076228670636  6.086253698121  0.047235825223  -0.007775344761  -0.033103054375  -0.004251103190  0.001378299626  0.006377682978
  30  Al  6.075765918691  4.040204030621  6.075247678363  -0.000838022237  0.005669470499  0.011700661695  0.001153337219  -0.004387601304  0.000884007952
  31  Al  6.081572394671  6.069845140965  4.048275182527  -0.018359141993  0.008928582131  -0.023407852462  0.004053196199  -0.001810395522  -0.000363540817


MDSTEP:  5
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.096799125660  0.000000000000  0.000000000000
  0.000000000000  8.096818816143  0.000000000000
  0.000000000000  0.000000000000  8.096854865697
VIRIAL (kbar)
  -82.452950957737  -0.006577937275  0.000779309905
  -0.006577937275  -82.457846162260  -0.027574396479
  0.000779309905  -0.027574396479  -82.335318113471
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.085744812939  8.093611992857  8.091841662290  0.030472135524  0.001551945917  -0.022601327369  -0.004413477757  -0.001281499789  -0.002011672877
  1  Al  8.091573316552  2.016712251942  2.014263612283  0.031421632522  0.017759919803  0.001241668043  -0.002080477447  -0.002992904709  -0.003981472681
  2  Al  2.017904369091  8.086591013271  2.018634132509  0.013842192663  -0.003557284181  0.025814979322  -0.002514870085  -0.004092964146  -0.002224880479
  3  Al  2.017488381412  2.021082276962  8.095123095859  0.007884314590  -0.003773080952  -0.041313186103  -0.002683095658  -0.001250439142  -0.000704182520
  4  Al  0.001690160052  8.088934066356  4.064463079857  0.025734871498  0.003683886848  -0.044626894526  0.000684087013  -0.003152952114  0.006404829836
  5  Al  0.001441928093  2.024064450488  6.078725845895  -0.004570994766  -0.004833344099  -0.016117046652  0.000575518826  -0.000057198813  0.002431534468
  6  Al  2.021397733588  8.095063311174  6.070304057024  -0.016593955186  0.040740504263  0.006099719917  -0.001125994754  -0.000688774407  -0.000932262381
  7  Al  2.023458241055  2.026439746450  4.054559216964  -0.006633248262  -0.016634640856  0.008724613301  -0.000298360439  0.000889700311  0.002457374481
  8  Al  8.092490773810  4.058094486840  8.083084934342  -0.000049610886  -0.027765983933  0.026074925521  -0.001722837867  0.003868429712  -0.005501460022
  9  Al  0.003138403270  6.071322211192  2.023142166792  0.005265758146  -0.001641700840  0.021013706556  0.001257580114  -0.000516312975  -0.000422212972
  10  Al  2.030339161495  4.036842515421  2.022520927305  -0.012042297625  0.074557026729  0.028625262329  0.002453844703  -0.004605735921  -0.000668644242
  11  Al  2.026684721664  6.075930811923  0.011264278123  -0.025468225615  0.005564518228  0.029496327266  0.000987181102  0.001330285452  0.004516975035
  12  Al  8.091035166935  4.052048105164  4.039579562331  0.038742582391  0.007470692203  0.035596576875  -0.002293715869  0.001459387430  -0.003529351310
  13  Al  0.000886346544  6.068973715096  6.063281142026  0.003577886360  0.003626072720  0.018675910785  0.000355790842  -0.001454653727  -0.003738975301
  14  Al  2.022542675756  4.044571627585  6.076774056111  -0.024605033119  -0.029306870667  -0.021961186101  -0.000670246035  -0.001543995484  0.001648710978
  15  Al  2.034119165185  6.074166460243  4.038221431319  -0.044283888035  -0.016816516358  -0.014324489463  0.003956871804  0.000617364256  -0.004088167033
  16  Al  4.060009936946  0.012415392623  8.096267135544  -0.008157611966  0.000711635585  0.034154532509  0.004644897979  0.004968971771  -0.000223409658
  17  Al  4.034459210303  2.013356744663  2.022566880284  0.047946862759  0.019810132691  -0.003878442833  -0.005563638158  -0.004335188916  -0.000659966988
  18  Al  6.081942189881  8.086393768131  2.011794395682  -0.043940239941  -0.007605550797  0.015039500882  0.003726885679  -0.004173108461  -0.004965570947
  19  Al  6.076639096791  2.036351513339  8.081843653661  -0.037925234970  -0.034924156121  -0.002024736894  0.001606317959  0.004851069482  -0.006006860769
  20  Al  4.052034045948  0.013233782445  4.049678414431  -0.018567350409  -0.041979522575  -0.009474099812  0.001449839823  0.005283518536  0.000498604660
  21  Al  4.051064165569  2.020438826327  6.075120607735  0.005587676754  0.015172062118  0.025945263871  0.001068894716  -0.001502260643  0.001001408028
  22  Al  6.072701978818  0.000839706272  6.074004120714  0.006899793326  0.044985986084  0.015310963885  0.000044251948  0.000349624113  0.000551364632
  23  Al  6.082232023235  2.026115059631  4.044838279734  -0.028496804065  -0.001866476383  0.047828955061  0.003847542381  0.000764296719  -0.001421081442
  24  Al  4.050684750065  4.047160429438  0.013521944991  0.017596061417  -0.013307270996  -0.035720946119  0.000920697140  -0.000503012435  0.005400715337
  25  Al  4.043971271634  6.084652566755  2.035618656368  0.005354381498  -0.026036826221  -0.020614776386  -0.001769844810  0.004811175762  0.004558403779
  26  Al  6.066342021378  4.057351624844  2.015890671344  -0.003944584947  0.012602798795  0.012176391297  -0.002504426047  0.003583433239  -0.003327104368
  27  Al  6.067769982625  6.078063355881  0.010959277499  0.008977427729  -0.022065675097  -0.015545890482  -0.001928909077  0.002175338674  0.004381307083
  28  Al  4.050973842158  4.053451901444  4.057620964190  -0.008619149888  -0.004329326987  -0.046223571013  0.001028524051  0.002017462204  0.003666047394
  29  Al  4.037752953928  6.076059362940  6.088591430791  0.058069854519  -0.010281623415  -0.041574875184  -0.004242311611  0.001376886129  0.006371925589
  30  Al  6.075479188219  4.037439903197  6.074842106344  -0.000828218419  0.007602757620  0.013588043752  0.001153357368  -0.004387054228  0.000886396323
  31  Al  6.082733988720  6.068083130226  4.047527229316  -0.022646983595  0.010885910871  -0.029405872233  0.004050124355  -0.001808887875  -0.000368315065


MDSTEP:  6
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.095395155278  0.000000000000  0.000000000000
  0.000000000000  8.095423498530  0.000000000000
  0.000000000000  0.000000000000  8.095475903474
VIRIAL (kbar)
  -82.062161580374  -0.009270151919  0.001059490031
  -0.009270151919  -82.068847656909  -0.039529240714
  0.001059490031  -0.039529240714  -81.892097635743
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.082137376332  8.091576545566  8.089456704445  0.034860565112  0.001949355564  -0.029155377545  -0.004408426558  -0.001281414768  -0.002016654171
  1  Al  8.089131415122  2.014869050995  2.011929879950  0.035614609101  0.019375010290  -0.000080959697  -0.002074856328  -0.002990117112  -0.003982069290
  2  Al  2.016297648266  8.083150811462  2.017179052700  0.018233297604  -0.003997677274  0.029445454542  -0.002512452469  -0.004094367885  -0.002220331182
  3  Al  2.015797353407  2.020108595698  8.093390489808  0.010941111153  -0.006558007002  -0.051548786528  -0.002681892807  -0.001251585310  -0.000712608918
  4  Al  0.002033061676  8.085963791740  4.066971296904  0.028923702448  0.004218610150  -0.051898912893  0.000689096341  -0.003152806586  0.006397326419
  5  Al  0.001729233972  2.023686829738  6.078905638194  -0.007311344682  -0.008124575790  -0.017898636092  0.000574559477  -0.000058367523  0.002428920956
  6  Al  2.020483486245  8.093325728856  6.068804373532  -0.018301326752  0.049160561654  0.009303600968  -0.001129316201  -0.000680859157  -0.000931049209
  7  Al  2.022957899930  2.026534639775  4.055097772161  -0.006325590976  -0.021965113900  0.012609457764  -0.000299572460  0.000886407520  0.002459714179
  8  Al  8.090226126949  4.059328138209  8.078958745055  -0.002004240976  -0.033202910370  0.029636036307  -0.001723329887  0.003863666971  -0.005497446831
  9  Al  0.003766886235  6.070017715034  2.022587440884  0.004135726505  -0.000037082720  0.023773697989  0.001258645785  -0.000516554939  -0.000418282929
  10  Al  2.031213491856  4.033847307965  2.021843431427  -0.013167811073  0.089712850478  0.032932188130  0.002452029978  -0.004591868515  -0.000663258188
  11  Al  2.026825751782  6.075549145431  0.013522171866  -0.028838523338  0.008401384111  0.033497791925  0.000982502390  0.001331770806  0.004523401744
  12  Al  8.088487066527  4.052079848951  4.037128498556  0.044586969314  0.008950074725  0.044607711639  -0.002286676179  0.001461115237  -0.003522801325
  13  Al  0.001064248684  6.067200687423  6.060379856348  0.001708084862  0.006389157040  0.023831205275  0.000356327133  -0.001454017123  -0.003735832587
  14  Al  2.021855746812  4.043101320363  6.076562506777  -0.027649627846  -0.035466640430  -0.024908658326  -0.000675037958  -0.001550061432  0.001644810505
  15  Al  2.035742914672  6.073427635875  4.035488958945  -0.051729987422  -0.018143951218  -0.015218322169  0.003948995751  0.000614348386  -0.004091527525
  16  Al  4.061628029356  0.014897777672  8.094778094844  -0.007744533617  0.000413394115  0.039231162916  0.004644307657  0.004969956498  -0.000216887752
  17  Al  4.030979958573  2.010843069639  2.021892262439  0.059596332224  0.021698454552  -0.006235575825  -0.005555018914  -0.004332249119  -0.000660987349
  18  Al  6.082749076127  8.082913347104  2.008969650085  -0.054650935500  -0.009103955719  0.017017281769  0.003718738029  -0.004175344943  -0.004963578340
  19  Al  6.076386884628  2.038424571191  8.077463718763  -0.046906729292  -0.044401405504  -0.003829969125  0.001599020897  0.004844840365  -0.006008440894
  20  Al  4.052055522583  0.015871392165  4.049237599836  -0.020256201335  -0.050868005437  -0.009797213567  0.001446628238  0.005276157404  0.000496969377
  21  Al  4.050896416927  2.019340191617  6.074587828843  0.008633560048  0.016523745237  0.032648482842  0.001070357533  -0.001499694110  0.001006822886
  22  Al  6.071671417661  0.001016384791  6.073246034339  0.006670561088  0.053872791729  0.019817248084  0.000045473158  0.000358525012  0.000554602336
  23  Al  6.083099877998  2.026147967013  4.043441004949  -0.035955152693  -0.004185872658  0.059331600727  0.003842468624  0.000763891588  -0.001411750506
  24  Al  4.050443504943  4.046210884172  0.016218410670  0.022941628083  -0.016036630779  -0.045225870551  0.000924486311  -0.000505725495  0.005394428158
  25  Al  4.042385368760  6.086008434785  2.037550260271  0.008919538162  -0.028918816896  -0.026422375407  -0.001768885423  0.004807118394  0.004555000195
  26  Al  6.064037735797  4.058444709914  2.013884335710  -0.005964093888  0.015160941164  0.013552939706  -0.002505760252  0.003586553127  -0.003325389256
  27  Al  6.065753786281  6.078102614719  0.013147375822  0.008967664277  -0.024455650484  -0.020862723615  -0.001927649933  0.002171566394  0.004378822612
  28  Al  4.050785288804  4.053761914066  4.058760880122  -0.008141617299  -0.004781612357  -0.053149275592  0.001027209624  0.002017006592  0.003657807649
  29  Al  4.034934248629  6.075700266442  6.090738606063  0.071767452894  -0.010364495911  -0.048158345958  -0.004231462592  0.001375285209  0.006365023689
  30  Al  6.075002354337  4.034550941370  6.074251316555  -0.002679946879  0.009506294325  0.016863623362  0.001153250165  -0.004386305154  0.000889274846
  31  Al  6.083703309173  6.066133462945  4.046652429153  -0.028873139305  0.015279779314  -0.033708481054  0.004046243060  -0.001806870333  -0.000374022730


MDSTEP:  7
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.093739404741  0.000000000000  0.000000000000
  0.000000000000  8.093777966449  0.000000000000
  0.000000000000  0.000000000000  8.093850090316
VIRIAL (kbar)
  -81.600118427656  -0.012658096547  0.001498668833
  -0.012658096547  -81.609067818793  -0.053995883196
  0.001498668833  -0.053995883196  -81.367892609409
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.078281674922  8.089291173065  8.086822466591  0.043210710607  0.002513209391  -0.032298786285  -0.004402377520  -0.001281284837  -0.002022567223
  1  Al  8.086441105903  2.012965297158  2.009534779528  0.043876067473  0.024908034028  0.001760588801  -0.002068187451  -0.002986785665  -0.003982745531
  2  Al  2.014629839609  8.079460404612  2.015665089747  0.019539122627  -0.003838805759  0.035944081490  -0.002509606004  -0.004095928237  -0.002214945592
  3  Al  2.014044600700  2.019071886537  8.091406485843  0.010637037440  -0.005639846284  -0.058036208583  -0.002680530043  -0.001252938701  -0.000722554644
  4  Al  0.002378487913  8.082743962541  4.069350881871  0.035911664260  0.005091881307  -0.062663080511  0.000695038749  -0.003152636148  0.006388411257
  5  Al  0.002015834201  2.023245934093  6.078898477045  -0.006124293925  -0.007674245835  -0.022759242919  0.000573479581  -0.000059792330  0.002425789877
  6  Al  2.019504758966  8.091342389713  6.067120466179  -0.022894675448  0.057295409754  0.009355302256  -0.001133238034  -0.000671484031  -0.000929574168
  7  Al  2.022394075060  2.026564935745  4.055513812255  -0.009137973719  -0.023572818009  0.012805839183  -0.000301018318  0.000882522155  0.002462496997
  8  Al  8.087709676255  4.060433366819  8.074588841101  0.000021839482  -0.038889770687  0.036471890670  -0.001723871159  0.003858032521  -0.005492677122
  9  Al  0.004395625617  6.068525601036  2.021973165376  0.006613104843  -0.002208403326  0.029348075988  0.001259872694  -0.000516864167  -0.000413620196
  10  Al  2.032023478434  4.030735427969  2.021107226644  -0.017435484822  0.104426912881  0.040392432952  0.002449811732  -0.004575474901  -0.000656839988
  11  Al  2.026901169152  6.074980450168  0.015782661764  -0.035210579315  0.007385954285  0.040394131673  0.000976983381  0.001333461965  0.004530947073
  12  Al  8.085691379841  4.051987155084  4.034558309923  0.054360851980  0.009807057984  0.050079469960  -0.002278312408  0.001463099081  -0.003515066580
  13  Al  0.001242271513  6.065240700610  6.057295893868  0.003852531124  0.005390163667  0.026091616153  0.000356899570  -0.001453269253  -0.003732144371
  14  Al  2.021103460915  4.041502873002  6.076163446361  -0.033732405408  -0.041144508283  -0.030859559974  -0.000680668639  -0.001557236602  0.001640165702
  15  Al  2.037298736674  6.072499473001  4.032632061605  -0.062168916423  -0.023257327245  -0.018689462581  0.003939646363  0.000610775749  -0.004095408301
  16  Al  4.063119120272  0.017379754404  8.093045731034  -0.010876804923  0.000209704742  0.047638939370  0.004643623788  0.004971055759  -0.000209165833
  17  Al  4.027380647561  2.008269169772  2.021155432663  0.067513249173  0.027547787333  -0.005407294016  -0.005544827625  -0.004328755728  -0.000662165499
  18  Al  6.083361904482  8.079182271635  2.006085152224  -0.062312217957  -0.010136156224  0.022107381785  0.003709066032  -0.004177941881  -0.004961110370
  19  Al  6.075941498292  2.040430670519  8.072837121409  -0.053012029775  -0.050365005644  -0.002042653662  0.001590425058  0.004837384706  -0.006010212911
  20  Al  4.051949167148  0.018503979927  4.048672439707  -0.025929668226  -0.059325240244  -0.013229805487  0.001442804398  0.005267413017  0.000495013702
  21  Al  4.050603453817  2.018180615478  6.073872742660  0.008135276802  0.021557337780  0.036302560050  0.001072082910  -0.001496604224  0.001013196649
  22  Al  6.070452613977  0.001197849143  6.072304533110  0.009284426416  0.062859036559  0.021395537447  0.000046909279  0.000369037129  0.000558402210
  23  Al  6.083775335715  2.026117878058  4.041925735568  -0.040466191288  -0.002850587182  0.067164264158  0.003836447554  0.000763422863  -0.001400733679
  24  Al  4.050078338114  4.045134842865  0.018910355166  0.024624479598  -0.018855687169  -0.051476176789  0.000928934420  -0.000508951358  0.005386901693
  25  Al  4.040674533015  6.087173625015  2.039417386061  0.008670510157  -0.035790140941  -0.029668408431  -0.001767686371  0.004802342212  0.004550930515
  26  Al  6.061544307792  4.059413722341  2.011817793249  -0.005022234566  0.017225852277  0.018287632185  -0.002507271831  0.003590201862  -0.003323232566
  27  Al  6.063549730785  6.077951831057  0.015333221533  0.011863942472  -0.030550826577  -0.023129606014  -0.001926194594  0.002167104306  0.004375798075
  28  Al  4.050470024629  4.053946211149  4.059772294179  -0.011526864089  -0.005546255532  -0.063636545470  0.001025668073  0.002016506705  0.003648125116
  29  Al  4.031996453189  6.075152458992  6.092695773925  0.081195853463  -0.014169943071  -0.057478005847  -0.004218680172  0.001373380389  0.006356899852
  30  Al  6.074336341794  4.031538115530  6.073476818233  -0.001603580404  0.011526468051  0.017134571805  0.001153110788  -0.004385345643  0.000892499131
  31  Al  6.084480847557  6.063997663242  4.045651221989  -0.031856747627  0.016070757971  -0.041299479356  0.004041667988  -0.001804446715  -0.000380806706


MDSTEP:  8
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.091833618121  0.000000000000  0.000000000000
  0.000000000000  8.091883960413  0.000000000000
  0.000000000000  0.000000000000  8.091979362493
VIRIAL (kbar)
  -81.067165433209  -0.016283694621  0.001936577109
  -0.016283694621  -81.078592309750  -0.070615686513
  0.001936577109  -0.070615686513  -80.762976844817
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.074180262040  8.086757684400  8.083940631957  0.048568968891  0.002965765557  -0.037819425466  -0.004395242635  -0.001281104846  -0.002029319833
  1  Al  8.083504901057  2.011001962498  2.007079014900  0.048921965108  0.027655650398  0.001327546365  -0.002060393579  -0.002982808309  -0.003983421197
  2  Al  2.012901531649  8.075521605376  2.014093339428  0.022830775386  -0.003841370213  0.040227488417  -0.002506428321  -0.004097605541  -0.002208664411
  3  Al  2.012230570320  2.017972684405  8.089172450191  0.012541344477  -0.007445048459  -0.067236270432  -0.002679109865  -0.001254411652  -0.000733927925
  4  Al  0.002727053633  8.079276441949  4.071601751985  0.039733096639  0.005639128419  -0.071030775815  0.000701971271  -0.003152439167  0.006377984365
  5  Al  0.002301826723  2.022742239771  6.078705346477  -0.008017291834  -0.010052833145  -0.025450085696  0.000572354714  -0.000061391771  0.002422059186
  6  Al  2.018461593233  8.089115771089  6.065253804683  -0.025374572401  0.065662370417  0.011886828662  -0.001137829526  -0.000660652766  -0.000927897055
  7  Al  2.021766955312  2.026530913241  4.055808288841  -0.009871092031  -0.027786716294  0.015753858168  -0.000302791163  0.000878143536  0.002465638994
  8  Al  8.084943371480  4.061410479883  8.069977846023  -0.001083950498  -0.044350364774  0.040789298317  -0.001724385561  0.003851523096  -0.005487081815
  9  Al  0.005024824958  6.066846987778  2.021300328453  0.005854658124  -0.001478514295  0.032812883501  0.001261293981  -0.000517318820  -0.000408161232
  10  Al  2.032769140803  4.027509126000  2.020313473120  -0.019731622228  0.119388565593  0.045781516692  0.002447084683  -0.004556570137  -0.000649292147
  11  Al  2.026910826170  6.074225921887  0.018046301625  -0.039501588500  0.009024867344  0.044793015329  0.000970541066  0.001335251762  0.004539646436
  12  Al  8.082650757254  4.051770949747  4.031870502512  0.061073593161  0.010901287979  0.058143934102  -0.002268545736  0.001465304473  -0.003506230343
  13  Al  0.001420601664  6.063094991302  6.054030960616  0.002583088403  0.007037948215  0.030541227373  0.000357561817  -0.001452509534  -0.003727972720
  14  Al  2.020285719934  4.039776670131  6.075577772291  -0.037815671611  -0.047038419190  -0.034603468604  -0.000687231378  -0.001565497670  0.001634704614
  15  Al  2.038786077774  6.071382811197  4.029651453832  -0.070731015680  -0.025645863068  -0.019884399910  0.003928722322  0.000606551029  -0.004099835889
  16  Al  4.064483735554  0.019861234281  8.091072734998  -0.011097846555  -0.000354719189  0.053506270165  0.004642788880  0.004972245066  -0.000200172429
  17  Al  4.023662936147  2.005636064395  2.020356958237  0.078461313742  0.030565581376  -0.007031331009  -0.005533125139  -0.004324606736  -0.000663435877
  18  Al  6.083781245165  8.075202249047  2.003141909983  -0.072092790947  -0.011449368756  0.025324468248  0.003697951319  -0.004180882299  -0.004958055072
  19  Al  6.075303677295  2.042369644795  8.067966040921  -0.061139572566  -0.059176533741  -0.002637153298  0.001580605715  0.004828760531  -0.006012067623
  20  Al  4.051715323886  0.021130715050  4.047983588431  -0.028260996137  -0.068312608222  -0.014362434505  0.001438310253  0.005257274853  0.000492664977
  21  Al  4.050186088472  2.016961004240  6.072977114075  0.010722774659  0.023975747058  0.042240525158  0.001074029862  -0.001492895068  0.001020461312
  22  Al  6.069047108841  0.001384897563  6.071181202624  0.009817038242  0.071761739099  0.025027836592  0.000048628557  0.000381162839  0.000562686367
  23  Al  6.084259246452  2.026025336460  4.040294159466  -0.047087297683  -0.004309095813  0.077788670051  0.003829552836  0.000762967353  -0.001388108183
  24  Al  4.049590258868  4.043932930921  0.021597144996  0.029372528886  -0.021718583974  -0.060472306771  0.000933988322  -0.000512702200  0.005378179718
  25  Al  4.038839639363  6.088148760544  2.041220164517  0.011996454948  -0.039708707029  -0.034983064191  -0.001766268633  0.004796753321  0.004546237588
  26  Al  6.058863165318  4.060259666216  2.009691997375  -0.005897938151  0.019704496919  0.020944433423  -0.002508858254  0.003594372115  -0.003320518999
  27  Al  6.061159410566  6.077611734672  0.017516551313  0.012656397962  -0.034004883343  -0.027966852821  -0.001924470892  0.002161856498  0.004372275249
  28  Al  4.050028604407  4.054005566055  4.060655186305  -0.011659292843  -0.005786063718  -0.071332941159  0.001023844552  0.002015981183  0.003636929310
  29  Al  4.028941342746  6.074416886321  6.094463465252  0.094021812634  -0.015234790514  -0.064626530401  -0.004204040388  0.001371083467  0.006347501630
  30  Al  6.073482538441  4.028402538592  6.072520075462  -0.002603970724  0.013828199798  0.019125538400  0.001153015155  -0.004384139296  0.000895954431
  31  Al  6.085067587580  6.061677132767  4.044523902547  -0.037189300876  0.019583135564  -0.046578298884  0.004036477956  -0.001801695311  -0.000388754858


MDSTEP:  9
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.089679805848  0.000000000000  0.000000000000
  0.000000000000  8.089743486994  0.000000000000
  0.000000000000  0.000000000000  8.089865952102
VIRIAL (kbar)
  -80.462736043179  -0.020354344670  0.002497754216
  -0.020354344670  -80.476829113918  -0.089386495655
  0.002497754216  -0.089386495655  -80.076568488270
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.069835688210  8.083978144267  8.080812966342  0.055954923330  0.003164048190  -0.042241197078  -0.004387106593  -0.001280907225  -0.002037026499
  1  Al  8.080325290777  2.008979835445  2.004563158965  0.055820624253  0.031971782591  0.002835452627  -0.002051595414  -0.002978292897  -0.003984125328
  2  Al  2.011113556084  8.071336476571  2.012464772465  0.025011428073  -0.003780997753  0.046329157305  -0.002502840462  -0.004099407996  -0.002201522061
  3  Al  2.010355972316  2.016811346843  8.086689802251  0.013136503140  -0.007862876840  -0.074991971719  -0.002677551279  -0.001256123509  -0.000746843058
  4  Al  0.003079090786  8.075563328920  4.073724189335  0.045390086535  0.006146192073  -0.081028942720  0.000709775457  -0.003152247794  0.006366111877
  5  Al  0.002587034351  2.022176036605  6.078327647383  -0.008112730381  -0.010935502560  -0.030094791975  0.000571070019  -0.000063285164  0.002417747301
  6  Al  2.017354285708  8.086648636757  6.063206301929  -0.029000992574  0.073458642922  0.012682239908  -0.001143004470  -0.000648394472  -0.000925951025
  7  Al  2.021076981943  2.026432685042  4.055982548369  -0.011890681751  -0.030599825042  0.017373906749  -0.000304820248  0.000873163329  0.002469267226
  8  Al  8.081929148129  4.062259939366  8.065128451756  -0.000411524849  -0.049549934678  0.046719133146  -0.001724993838  0.003844180938  -0.005480740216
  9  Al  0.005654398959  6.064983452569  2.020569803426  0.006932622231  -0.002455971322  0.037993987473  0.001262784430  -0.000517812124  -0.000401940581
  10  Al  2.033450742308  4.024170805880  2.019463219457  -0.023484012866  0.134782645604  0.052946655620  0.002443894161  -0.004535090786  -0.000640640170
  11  Al  2.026854828302  6.073287193643  0.020313423699  -0.044954355290  0.009132164476  0.050303966966  0.000963256826  0.001337240477  0.004549375833
  12  Al  8.079367840883  4.051432313869  4.029066960571  0.069743154214  0.011987405293  0.064939548741  -0.002257473525  0.001467751829  -0.003496172691
  13  Al  0.001599120693  6.060765231769  6.050587178644  0.003115063376  0.007316462625  0.033308789732  0.000358169702  -0.001451623428  -0.003723271129
  14  Al  2.019402670917  4.037923209635  6.074806801899  -0.042746971375  -0.052421842821  -0.040465560882  -0.000694623743  -0.001574818815  0.001628434299
  15  Al  2.040204620510  6.070078933464  4.026548199971  -0.080469073587  -0.029570877610  -0.021792930397  0.003916284497  0.000601779943  -0.004104670122
  16  Al  4.065722796205  0.022342098310  8.088861866132  -0.013124049591  -0.001364930721  0.060789330361  0.004641900893  0.004973451500  -0.000190007192
  17  Al  4.019828885193  2.002944584591  2.019497260912  0.087769776740  0.035162196516  -0.006624501023  -0.005519784912  -0.004319912941  -0.000664836129
  18  Al  6.084007680201  8.070975226124  2.000140835723  -0.080813377176  -0.012804247974  0.030645156194  0.003685297440  -0.004184194559  -0.004954390454
  19  Al  6.074474180841  2.044241141278  8.062852737118  -0.067891063790  -0.066678122360  -0.001713857182  0.001569503876  0.004818828615  -0.006014081158
  20  Al  4.051354769591  0.023750721511  4.047172054152  -0.032567665872  -0.077660240549  -0.016792303398  0.001433267300  0.005245661363  0.000490012511
  21  Al  4.049645542539  2.015682096362  6.071903134339  0.011386527028  0.028060205159  0.046255507053  0.001076302271  -0.001488650846  0.001028649599
  22  Al  6.067456457030  0.001578320796  6.069878034140  0.011525929444  0.080240319122  0.026844701153  0.000050550249  0.000394857842  0.000567476403
  23  Al  6.084552472897  2.025870702951  4.038548361281  -0.052505597821  -0.004243962385  0.086898199981  0.003821701999  0.000762411326  -0.001373758383
  24  Al  4.048980683972  4.042605902722  0.024277903483  0.032270414854  -0.024180558284  -0.068321592934  0.000939756956  -0.000516946365  0.005368117304
  25  Al  4.036882014884  6.088934929813  2.042958617331  0.013513718314  -0.045154335919  -0.038798160490  -0.001764473819  0.004790477772  0.004540869135
  26  Al  6.055995772721  4.060983716901  2.007507788326  -0.005530682677  0.022097169641  0.025640981180  -0.002510570562  0.003599092929  -0.003317250962
  27  Al  6.058584431018  6.077083491857  0.019696873863  0.014595712047  -0.039026732511  -0.031889537069  -0.001922563867  0.002155918021  0.004368104829
  28  Al  4.049462007287  4.053940932834  4.061409935475  -0.013692660207  -0.005895444098  -0.080299694194  0.001021859564  0.002015488207  0.003624354354
  29  Al  4.025771127621  6.073494939240  6.096042629568  0.104839343973  -0.017870517134  -0.073535233015  -0.004187416881  0.001368498541  0.006336863540
  30  Al  6.072442346662  4.025145480064  6.071382928278  -0.002469787647  0.016645612718  0.019187422431  0.001152878821  -0.004382613896  0.000899622138
  31  Al  6.085464504266  6.059173715313  4.043271120119  -0.041340600101  0.021892073630  -0.053103862547  0.004030567343  -0.001798479815  -0.000397772620


MDSTEP:  10
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.087280245804  0.000000000000  0.000000000000
  0.000000000000  8.087358820061  0.000000000000
  0.000000000000  0.000000000000  8.087512388606
VIRIAL (kbar)
  -79.786245794860  -0.024978504168  0.003134573521
  -0.024978504168  -79.803929463370  -0.110208846053
  0.003134573521  -0.110208846053  -79.309435633884
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.065250950736  8.080954861383  8.077441630319  0.061116288921  0.004647559138  -0.048180747140  -0.004377985300  -0.001280599512  -0.002045724931
  1  Al  8.076905197368  2.006899910178  2.001988030652  0.060329699099  0.034250709578  0.000448817160  -0.002041839697  -0.002973280290  -0.003985031700
  2  Al  2.009266711054  8.066907352251  2.010780595365  0.029593205563  -0.002081049714  0.048656862702  -0.002498726216  -0.004101182679  -0.002193692204
  3  Al  2.008421465425  2.015588421743  8.083960387741  0.016344028584  -0.010262395835  -0.084157289719  -0.002675737073  -0.001258127328  -0.000761297982
  4  Al  0.003435095609  8.071606984794  4.075718482024  0.048861864622  0.007983902757  -0.089425419274  0.000718420636  -0.003151945987  0.006352788572
  5  Al  0.002871440856  2.021547814982  6.077766830183  -0.010300409345  -0.014235539643  -0.030924880984  0.000569598906  -0.000065555085  0.002413019595
  6  Al  2.016183097009  8.083943966329  6.060979938170  -0.029970094680  0.082630897962  0.017600675200  -0.001148628038  -0.000634635846  -0.000923522246
  7  Al  2.020324547958  2.026270556413  4.056037968346  -0.011241118932  -0.035451785434  0.020375696647  -0.000306982081  0.000867523824  0.002473386271
  8  Al  8.078669367413  4.062982365912  8.060043789142  -0.001897017029  -0.055936822830  0.051212468930  -0.001725729649  0.003835921741  -0.005473634695
  9  Al  0.006284426997  6.062936620342  2.019782691113  0.005646802724  -0.001270038761  0.039236052402  0.001264296740  -0.000518303239  -0.000395156297
  10  Al  2.034068484031  4.020723041559  2.018557746964  -0.024725689755  0.148498460994  0.056374150313  0.002440333614  -0.004511145242  -0.000631058459
  11  Al  2.026733244520  6.072165962565  0.022584461623  -0.047807483487  0.011210806043  0.053815960818  0.000955258334  0.001339467331  0.004560055764
  12  Al  8.075845714136  4.050972461878  4.026149601853  0.076295168640  0.011755282475  0.073215732129  -0.002245108615  0.001470322476  -0.003484872903
  13  Al  0.001777871340  6.058253171723  6.046966740877  0.001096176912  0.009653730480  0.040091347060  0.000358656163  -0.001450548897  -0.003717829679
  14  Al  2.018454451773  4.035943168154  6.073851887013  -0.045148051828  -0.059103310360  -0.042317780537  -0.000702695880  -0.001585271009  0.001621522902
  15  Al  2.041554010952  6.068589186223  4.023323447429  -0.087752131209  -0.031322112825  -0.022155582510  0.003902445235  0.000596518898  -0.004109836015
  16  Al  4.066837197526  0.024822189699  8.086416307543  -0.012936783916  -0.001276840956  0.066270683706  0.004640995307  0.004974732462  -0.000178703638
  17  Al  4.015880540226  2.000195767551  2.018577018054  0.099555696054  0.037791956770  -0.010197887352  -0.005504729591  -0.004314707703  -0.000666540515
  18  Al  6.084042088670  8.066503411520  1.997083101873  -0.092142036437  -0.012315448247  0.032190114538  0.003670963989  -0.004187716989  -0.004950264454
  19  Al  6.073454092543  2.046044993299  8.057499900131  -0.077333934847  -0.076620039088  -0.001505354694  0.001557000551  0.004807485911  -0.006016180452
  20  Al  4.050868238855  0.026363093420  4.046238877989  -0.034574957876  -0.085742174483  -0.017625205404  0.001427703744  0.005232651285  0.000487082740
  21  Al  4.048982999822  2.014344845395  6.070653046179  0.014335358910  0.029987391807  0.054115227314  0.001078932457  -0.001483914760  0.001037933853
  22  Al  6.065682519060  0.001778871647  6.068397079844  0.010602986894  0.089851193793  0.032515328507  0.000052544375  0.000410186673  0.000572954872
  23  Al  6.084656187553  2.025654541624  4.036690438082  -0.060727533706  -0.006402370903  0.097318457174  0.003812750359  0.000761691982  -0.001357700845
  24  Al  4.048250998826  4.041154681980  0.026951859088  0.037299656522  -0.028116687386  -0.077911906854  0.000946265834  -0.000521780110  0.005356659055
  25  Al  4.034802957930  6.089533287294  2.044632976768  0.017551811314  -0.048402994562  -0.046554681720  -0.001762237670  0.004783573892  0.004534605223
  26  Al  6.052943905030  4.061587177152  2.005266261459  -0.007517675848  0.022818382519  0.026499157576  -0.002512507745  0.003604206877  -0.003313588133
  27  Al  6.055826699822  6.076368330193  0.021873781713  0.013926857343  -0.041924843247  -0.037787617368  -0.001920603610  0.002149337576  0.004363190486
  28  Al  4.048771176654  4.053753411694  4.062036957620  -0.013401677265  -0.007271229738  -0.087592022479  0.001019750584  0.002014925769  0.003610434359
  29  Al  4.022487970340  6.072388069203  6.097434285130  0.118079729819  -0.018249136471  -0.078415200944  -0.004168770128  0.001365686443  0.006325185913
  30  Al  6.071217471340  4.021768387357  6.070067267646  -0.004963916245  0.018637792470  0.022661246678  0.001152567968  -0.004380796038  0.000903634911
  31  Al  6.085672880593  6.056489346767  4.041893561157  -0.048194819514  0.026266753698  -0.057846401874  0.004023798686  -0.001794722427  -0.000407812798


MDSTEP:  11
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.084637484290  0.000000000000  0.000000000000
  0.000000000000  8.084732499463  0.000000000000
  0.000000000000  0.000000000000  8.084921495476
VIRIAL (kbar)
  -79.038598239086  -0.030073881628  0.003568929426
  -0.030073881628  -79.059835414141  -0.133118596635
  0.003568929426  -0.133118596635  -78.460320908251
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.060429114288  8.077690524746  8.073828941830  0.070106543567  0.004275269601  -0.052267427363  -0.004367733422  -0.001280232377  -0.002055385459
  1  Al  8.073247596834  2.004763063783  1.999354172175  0.068483147113  0.039454694415  0.002799780869  -0.002031012848  -0.002967689952  -0.003986063992
  2  Al  2.007362075237  8.062236977137  2.009041749504  0.030791657844  -0.002014861566  0.055356406825  -0.002494172407  -0.004102928231  -0.002185120107
  3  Al  2.006428007749  2.014304345768  8.080986220167  0.015932274408  -0.009972984127  -0.091414100395  -0.002673756468  -0.001260359797  -0.000777249243
  4  Al  0.003795369200  8.067410154374  4.077585211814  0.055721639216  0.008028258145  -0.099932957603  0.000728014992  -0.003151574340  0.006337965958
  5  Al  0.003154843250  2.020857915673  6.077024908138  -0.008835909693  -0.014669493158  -0.036405728774  0.000568080572  -0.000068161657  0.002407800248
  6  Al  2.014948591959  8.081005127929  6.058577282247  -0.034328488541  0.089814940693  0.017998413079  -0.001154765908  -0.000619430162  -0.000920645732
  7  Al  2.019510351979  2.026044717326  4.055976198034  -0.014152711027  -0.037471165254  0.021472170676  -0.000309356525  0.000861295236  0.002477949059
  8  Al  8.075166465249  4.063578408923  8.054727151679  0.000224843402  -0.060533293759  0.057514610083  -0.001726463083  0.003826797751  -0.005465729837
  9  Al  0.006914777706  6.060708508689  2.018939813394  0.007778541583  -0.002889881698  0.044887069178  0.001265924946  -0.000518849512  -0.000387765667
  10  Al  2.034622859809  4.017168387504  2.017598075857  -0.029577275032  0.164250106991  0.064385695770  0.002436303857  -0.004484698241  -0.000620470292
  11  Al  2.026546443866  6.070864302105  0.024859672544  -0.054131197160  0.010342190003  0.059126234459  0.000946466768  0.001341844970  0.004571668023
  12  Al  8.072087538318  4.050392623995  4.023120621520  0.086438177482  0.013003680530  0.079617078531  -0.002231317563  0.001473030784  -0.003472364235
  13  Al  0.001956668459  6.055560943722  6.043172417686  0.002630388016  0.009200298676  0.042405629274  0.000359110727  -0.001449350928  -0.003711687353
  14  Al  2.017441493499  4.033837238673  6.072714959373  -0.050940206248  -0.063685671805  -0.048749419773  -0.000711525319  -0.001596783264  0.001613918444
  15  Al  2.042834183779  6.066915310074  4.019978626762  -0.098509337134  -0.035982835392  -0.023792420728  0.003887111206  0.000590701495  -0.004115308604
  16  Al  4.067828169102  0.027301452154  8.083739375024  -0.016223999326  -0.003235149910  0.073753248896  0.004639958239  0.004976002139  -0.000166242839
  17  Al  4.011820299676  1.997390539032  2.017596624374  0.107789265262  0.043245814551  -0.009052570819  -0.005488052543  -0.004308912898  -0.000668483024
  18  Al  6.083885319729  8.061789442782  1.993969614201  -0.100101692082  -0.013631850968  0.038640988876  0.003655016736  -0.004191445472  -0.004945574308
  19  Al  6.072244457626  2.047780884922  8.051910447110  -0.083262606299  -0.083819940341  0.000555570431  0.001543167733  0.004794757144  -0.006018262343
  20  Al  4.050256806790  0.028967040664  4.045185391119  -0.040073436075  -0.095823154402  -0.020336257564  0.001421512179  0.005218176602  0.000483850128
  21  Al  4.048199983097  2.012950077765  6.069229656958  0.013791957675  0.034885671703  0.057404650815  0.001081812512  -0.001478613252  0.001048249829
  22  Al  6.063727121480  0.001987404136  6.066740957173  0.013029523615  0.097446754094  0.033611286709  0.000054675241  0.000427071746  0.000579057707
  23  Al  6.084571515513  2.025377284649  4.034722750204  -0.065445851091  -0.005744499590  0.105732729132  0.003802758722  0.000760862052  -0.001339995867
  24  Al  4.047402913944  4.039580193431  0.029618087546  0.038981357630  -0.029997964808  -0.085865752140  0.000953406634  -0.000527151879  0.005343793070
  25  Al  4.032604125567  6.089945385692  2.046243198655  0.018240939525  -0.054642685556  -0.049999545526  -0.001759633553  0.004775968955  0.004527477096
  26  Al  6.049709326966  4.062071334909  2.002968240723  -0.006064785700  0.025349873236  0.032277330217  -0.002514572344  0.003609725983  -0.003309432573
  27  Al  6.052888091875  6.075467867706  0.024046693115  0.016523510675  -0.047831784047  -0.042092924012  -0.001918530763  0.002142034918  0.004357496324
  28  Al  4.047957398411  4.053444123569  4.062536967421  -0.016571367634  -0.006655852686  -0.096820326298  0.001017415605  0.002014358152  0.003595143712
  29  Al  4.019094382026  6.071098129611  6.098640034295  0.127736160453  -0.021576680557  -0.087866745946  -0.004148201190  0.001362584755  0.006312417495
  30  Al  6.069809584250  4.018272765023  6.068575510475  -0.004203681160  0.022861123044  0.021541452695  0.001152138235  -0.004378558800  0.000907887202
  31  Al  6.085693961197  6.053626346289  4.040392218442  -0.051777383263  0.028021073939  -0.064484169578  0.004016221222  -0.001790471923  -0.000418886245


MDSTEP:  12
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.081754332287  0.000000000000  0.000000000000
  0.000000000000  8.081867330221  0.000000000000
  0.000000000000  0.000000000000  8.082096392756
VIRIAL (kbar)
  -78.218499254080  -0.035146658648  0.004453564457
  -0.035146658648  -78.244178969723  -0.158415734706
  0.004453564457  -0.158415734706  -77.530133087776
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.055373848100  8.074187921943  8.069977679984  0.076123172935  0.005560049112  -0.056877421893  -0.004356272348  -0.001279823223  -0.002065889509
  1  Al  8.069356054458  2.002570499520  1.996662621142  0.073590051694  0.042962235323  0.002673462988  -0.002019059856  -0.002961410729  -0.003987019030
  2  Al  2.005400489651  8.057328212952  2.007249639867  0.033933537275  -0.000077043731  0.059678752740  -0.002489306718  -0.004104622441  -0.002175626005
  3  Al  2.004376298580  2.012959861636  8.077769779992  0.017640769723  -0.011556389192  -0.099232820715  -0.002671742642  -0.001262747839  -0.000794577681
  4  Al  0.004160515792  8.062975685663  4.079324923876  0.059601055838  0.009590033346  -0.110112204093  0.000738595715  -0.003151156680  0.006321481359
  5  Al  0.003437365364  2.020107001965  6.076103702621  -0.010354627856  -0.016939005908  -0.039463597160  0.000566574579  -0.000071012991  0.002401888871
  6  Al  2.013651098036  8.077835576576  6.056000720722  -0.036443052340  0.098625150634  0.021071475904  -0.001161520766  -0.000602808198  -0.000917485893
  7  Al  2.018634840300  2.025755677804  4.055798866016  -0.015082774827  -0.041272243755  0.023255165390  -0.000312084968  0.000854570725  0.002482846311
  8  Al  8.071423463836  4.064049012558  8.049182287888  -0.000616573322  -0.066690037541  0.063472313604  -0.001727136155  0.003816827715  -0.005456892351
  9  Al  0.007545625879  6.058301082982  2.018042460122  0.006724849516  -0.002799181674  0.048243269191  0.001267689624  -0.000519548797  -0.000379578888
  10  Al  2.035114108250  4.013509710080  2.016585709804  -0.032717124202  0.178371758501  0.070127023346  0.002431634133  -0.004455709865  -0.000608667613
  11  Al  2.026294551897  6.069384221773  0.027139476848  -0.058337632911  0.011223708190  0.063448849432  0.000936760061  0.001344266211  0.004584284770
  12  Al  8.068097059090  4.049694296111  4.019982193245  0.093737000308  0.012732521958  0.086516490308  -0.002216031678  0.001475873104  -0.003458767603
  13  Al  0.002135644730  6.052690628942  6.039206800193  0.001093982551  0.010480101818  0.047141369051  0.000359576460  -0.001448123593  -0.003705025471
  14  Al  2.016363989851  4.031606433747  6.071397764792  -0.054531410165  -0.069827886271  -0.052903879429  -0.000721219105  -0.001609308031  0.001605413902
  15  Al  2.044044831480  6.065058984767  4.016515200604  -0.107412872760  -0.038900106716  -0.024648508120  0.003870135058  0.000584222771  -0.004121131239
  16  Al  4.068696764674  0.029779649004  8.080834859592  -0.016563041030  -0.003674432044  0.080542699492  0.004638741339  0.004977212187  -0.000152506634
  17  Al  4.007650373649  1.994530141239  2.016556970220  0.119189282091  0.046858609009  -0.010623976322  -0.005469785282  -0.004302438975  -0.000670484650
  18  Al  6.083538724347  8.056836059115  1.990801788291  -0.110154510233  -0.013243564322  0.042822474391  0.003637567286  -0.004195388233  -0.004940082342
  19  Al  6.070846834981  2.049448814299  8.046087753946  -0.091359108098  -0.093200347359  0.002432047220  0.001528124097  0.004780690046  -0.006020176043
  20  Al  4.049521369561  0.031561597326  4.044012905426  -0.042611282838  -0.104485882039  -0.022449698371  0.001414644204  0.005202182663  0.000480199734
  21  Al  4.047297835797  2.011498950965  6.067635588358  0.016200614656  0.038074022799  0.063253884945  0.001084894125  -0.001472632661  0.001059418425
  22  Al  6.061592588781  0.002204592107  6.064912097275  0.013322337350  0.106677717604  0.037193492075  0.000057051720  0.000445480559  0.000585598584
  23  Al  6.084300095708  2.025039682669  4.032647625923  -0.072285079483  -0.006891027507  0.114835102678  0.003791848778  0.000760011731  -0.001320759263
  24  Al  4.046437973305  4.037883677894  0.032275814142  0.043521661571  -0.033744523644  -0.094754725468  0.000961136057  -0.000533045101  0.005329579234
  25  Al  4.030287006858  6.090172711774  2.047789701129  0.022270650153  -0.058862782245  -0.056056879350  -0.001756661481  0.004767574178  0.004519634633
  26  Al  6.046294308002  4.062437774333  2.000615062095  -0.006244092124  0.026231722136  0.035792294742  -0.002516602258  0.003615664177  -0.003304545335
  27  Al  6.049770971488  6.074383653524  0.026215171299  0.017135724787  -0.051780743367  -0.047119926082  -0.001916230123  0.002133914845  0.004351098341
  28  Al  4.047021781976  4.053014501042  4.062910657048  -0.016759295293  -0.007578571742  -0.105089381538  0.001014811321  0.002013825321  0.003578392632
  29  Al  4.015592683298  6.069626909861  6.099661296968  0.140262969612  -0.023064109122  -0.094797512545  -0.004125770875  0.001359093697  0.006298371915
  30  Al  6.068220847218  4.014660447356  6.066909885900  -0.005556668498  0.025552692098  0.022377440032  0.001151691299  -0.004375838255  0.000912143223
  31  Al  6.085529483899  6.050586996669  4.038768063517  -0.057318514082  0.031647555650  -0.070747076443  0.004007950592  -0.001785794319  -0.000431129804


MDSTEP:  13
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.078633868481  0.000000000000  0.000000000000
  0.000000000000  8.078766382533  0.000000000000
  0.000000000000  0.000000000000  8.079040492535
VIRIAL (kbar)
  -77.326720553870  -0.040959357537  0.005468439565
  -0.040959357537  -77.356856215835  -0.185960189518
  0.005468439565  -0.185960189518  -76.517917877417
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.050088820618  8.070450253146  8.065890867983  0.084511736620  0.005790489543  -0.061790013974  -0.004343653510  -0.001279317759  -0.002077311212
  1  Al  8.065234129550  2.000323333506  1.993914264203  0.081004627390  0.047658873430  0.004186157615  -0.002006045067  -0.002954486524  -0.003987970522
  2  Al  2.003383034484  8.052184351600  2.005405530427  0.035862352266  0.001233042745  0.065459652710  -0.002484062731  -0.004106153031  -0.002165290433
  3  Al  2.002267292121  2.011555610242  8.074313789222  0.017895812510  -0.011949454783  -0.106946302801  -0.002669635091  -0.001265352334  -0.000813325427
  4  Al  0.004530873457  8.058306825693  4.080938342961  0.065617180700  0.010584820595  -0.120378619772  0.000750088184  -0.003150607107  0.006303352707
  5  Al  0.003718864683  2.019295639339  6.075005472247  -0.009850060945  -0.018161055052  -0.044150745751  0.000564994846  -0.000074179805  0.002395355055
  6  Al  2.012291209662  8.074439177280  6.053253097739  -0.039860873046  0.106297790409  0.022840671135  -0.001168808837  -0.000584724552  -0.000913919511
  7  Al  2.017698703148  2.025403855468  4.055507809774  -0.017393792780  -0.044001406478  0.024874061452  -0.000315113921  0.000847285989  0.002488124361
  8  Al  8.067443387186  4.064395116399  8.043413203982  0.000727039958  -0.071774465258  0.069443975877  -0.001727817994  0.003805966016  -0.005447149163
  9  Al  0.008176862240  6.055716660110  2.017091788660  0.007895493579  -0.003887323967  0.052611110518  0.001269504643  -0.000520353505  -0.000370709789
  10  Al  2.035542689373  4.009749859578  2.015522021992  -0.037153562502  0.193569081688  0.077132429768  0.002426360360  -0.004424225718  -0.000595739034
  11  Al  2.025977951049  6.067728087158  0.029424209355  -0.063774289776  0.010724172556  0.067584390074  0.000926216328  0.001346763848  0.004597800624
  12  Al  8.063878034078  4.048878971666  4.016736678881  0.103219640109  0.012845117358  0.093646252459  -0.002199307888  0.001478747693  -0.003444015547
  13  Al  0.002314658519  6.049644661551  6.035072912598  0.001391593976  0.010722791601  0.050973720539  0.000359942723  -0.001446804157  -0.003697706509
  14  Al  2.015222397992  4.029251758318  6.069902472814  -0.059234774678  -0.074832278285  -0.058410303997  -0.000731680605  -0.001622883749  0.001596090646
  15  Al  2.045185881645  6.063022245226  4.012934844887  -0.117447240220  -0.042872651355  -0.025105911684  0.003851578685  0.000577143455  -0.004127197616
  16  Al  4.069444438082  0.032256682209  8.077706782060  -0.019107020993  -0.005612223591  0.087282935149  0.004637409634  0.004978363116  -0.000137560055
  17  Al  4.003373385790  1.991615715530  2.015458775679  0.128432788464  0.051844616483  -0.010436365710  -0.005449834258  -0.004295325923  -0.000672630957
  18  Al  6.083003669476  8.051646414956  1.987580906669  -0.119042095473  -0.013596536439  0.048760440760  0.003618530013  -0.004199458284  -0.004933832212
  19  Al  6.069262791561  2.051048653869  8.040035468313  -0.097830103547  -0.101579426522  0.004386586370  0.001511819342  0.004765176491  -0.006021929190
  20  Al  4.048663222772  0.034145927471  4.042722932593  -0.047270936542  -0.114314020112  -0.024471833775  0.001407173753  0.005184689084  0.000476192632
  21  Al  4.046278299703  2.009992534997  6.065873910453  0.016615093611  0.042541628687  0.067356287172  0.001088262913  -0.001466010466  0.001071512982
  22  Al  6.059281255486  0.002431255613  6.062913372882  0.014926076199  0.114725842390  0.039235731926  0.000059600463  0.000465455154  0.000592662483
  23  Al  6.083843580575  2.024642391758  4.030467599962  -0.077884724614  -0.006891445458  0.124074846798  0.003779939648  0.000759081886  -0.001299915075
  24  Al  4.045358110749  4.036066341799  0.034924184115  0.045818771759  -0.036067473186  -0.103826279774  0.000969509561  -0.000539499679  0.005313914547
  25  Al  4.027853522312  6.090217134588  2.049272744742  0.024174502175  -0.064400830097  -0.061004270980  -0.001753212027  0.004758450168  0.004510941299
  26  Al  6.042701171058  4.062688066687  1.998207930081  -0.005268890485  0.027793031017  0.040916835393  -0.002518639613  0.003621934226  -0.003298983242
  27  Al  6.046477725213  6.073117612030  0.028378717807  0.018902372049  -0.057091563715  -0.052842254225  -0.001913775146  0.002125029264  0.004343867794
  28  Al  4.045965837809  4.052465972940  4.063158952935  -0.018950858064  -0.007521539778  -0.113345287669  0.001012024651  0.002013276771  0.003560265373
  29  Al  4.011985582561  6.067976563565  6.100499941607  0.150818228031  -0.025807912640  -0.103099448552  -0.004101395580  0.001355264727  0.006283148632
  30  Al  6.066453434596  4.010933261766  6.065073017452  -0.005683641552  0.029672259304  0.021565406772  0.001151147473  -0.004372642122  0.000916430458
  31  Al  6.085181214623  6.047373945868  4.037022247349  -0.062060444179  0.034358048907  -0.076523853820  0.003998881242  -0.001780603174  -0.000444467517


MDSTEP:  14
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.075279435617  0.000000000000  0.000000000000
  0.000000000000  8.075432990857  0.000000000000
  0.000000000000  0.000000000000  8.075757500364
VIRIAL (kbar)
  -76.362116886839  -0.047040805061  0.006401515397
  -0.047040805061  -76.398186825797  -0.215204066461
  0.006401515397  -0.215204066461  -75.425068875420
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.044578173508  8.066480887721  8.061571794162  0.089914429091  0.007850772447  -0.067465332802  -0.004329929252  -0.001278646187  -0.002089746150
  1  Al  8.060885850348  1.998022852289  1.991110205162  0.084810890808  0.050457852040  0.003570541395  -0.001992082948  -0.002946979125  -0.003988960888
  2  Al  2.001310745868  8.046808890584  2.003510887290  0.040689465121  0.004442258179  0.069305468451  -0.002478288531  -0.004107405107  -0.002154154297
  3  Al  2.000101876952  2.010092404206  8.070621272422  0.021447070761  -0.014286443919  -0.115862912683  -0.002667268066  -0.001268240531  -0.000833592051
  4  Al  0.004906971602  8.053407033089  4.082426337348  0.068548529669  0.012913131171  -0.129897501766  0.000762408474  -0.003149856043  0.006283635121
  5  Al  0.003999379945  2.018424552980  6.073732551806  -0.012060875025  -0.021350579488  -0.046947211949  0.000563279187  -0.000077744661  0.002388220702
  6  Al  2.010869470135  8.070819956999  6.050337360298  -0.039913722907  0.115655480660  0.026757841402  -0.001176446074  -0.000565128400  -0.000909870413
  7  Al  2.016702573148  2.024989830455  4.055105000495  -0.016478600247  -0.048522842289  0.027876680369  -0.000318278597  0.000839375691  0.002493891868
  8  Al  8.063229717634  4.064617890542  8.037424196995  -0.001053306773  -0.078581624956  0.074703195324  -0.001728592082  0.003794152326  -0.005436559894
  9  Al  0.008808577135  6.052957649450  2.016089119802  0.005837501532  -0.003075874027  0.055442668377  0.001271279948  -0.000521199123  -0.000361204354
  10  Al  2.035909014883  4.005891911399  2.014408571396  -0.038915036016  0.207045918322  0.082419298825  0.002420604492  -0.004390299202  -0.000581723768
  11  Al  2.025596980511  6.065898339382  0.031714191147  -0.066074311870  0.012208558798  0.070192024685  0.000915004773  0.001349391567  0.004612061798
  12  Al  8.059434678592  4.047948311415  4.013386605033  0.109805440742  0.011779603123  0.101863735511  -0.002181207680  0.001481583265  -0.003427987669
  13  Al  0.002493732374  6.046425580269  6.030773915791  -0.001511120774  0.012693948895  0.056290312402  0.000360087217  -0.001445330248  -0.003689676545
  14  Al  2.014017141359  4.026774450349  6.068231353442  -0.060727472552  -0.081593459884  -0.062276326535  -0.000742722905  -0.001637566527  0.001585973033
  15  Al  2.046257229437  6.060807230679  4.009239415156  -0.124954011965  -0.045002192381  -0.024125259906  0.003831564045  0.000569533139  -0.004133342522
  16  Al  4.070072580988  0.034732322852  8.074359452014  -0.018778436509  -0.005970491785  0.092800696379  0.004636021297  0.004979460717  -0.000121515393
  17  Al  3.998991895307  1.988648589322  2.014302991025  0.141409253374  0.054869287122  -0.012317452005  -0.005428054957  -0.004287624349  -0.000674949585
  18  Al  6.082281826798  8.046223860170  1.984308478770  -0.131070140461  -0.011625285600  0.053125883325  0.003597725394  -0.004203513116  -0.004926805078
  19  Al  6.067494238846  2.052580434831  8.033757534199  -0.107474096934  -0.112218553700  0.006348545784  0.001494113127  0.004748100964  -0.006023512086
  20  Al  4.047683605345  0.036719094447  4.041317139575  -0.048816741684  -0.122696154537  -0.025504376990  0.001399188406  0.005165717727  0.000471924928
  21  Al  4.045143070979  2.008432079286  6.063947757829  0.019584573925  0.045256059926  0.073589966731  0.001091969017  -0.001458787943  0.001084568592
  22  Al  6.056795771355  0.002668108983  6.060747739464  0.013288563023  0.124011920511  0.043152670387  0.000062149071  0.000487002168  0.000600279759
  23  Al  6.083203933930  2.024186236999  4.028185364880  -0.086799882111  -0.008915801920  0.133669124220  0.003766843433  0.000757993705  -0.001277416984
  24  Al  4.044165192094  4.034129650721  0.037562330252  0.051181183495  -0.040499785113  -0.114439898195  0.000978601141  -0.000546577388  0.005296641434
  25  Al  4.025305533280  6.090080606643  2.050692765864  0.029684612496  -0.067748732035  -0.067848544694  -0.001749151885  0.004748672633  0.004501324301
  26  Al  6.038932538764  4.062823978280  1.995748264106  -0.006914506934  0.027346448679  0.044350019977  -0.002520814895  0.003628416769  -0.003292751861
  27  Al  6.043011039617  6.071671745498  0.030536775107  0.017520852515  -0.060598947139  -0.060052746169  -0.001911343319  0.002115416171  0.004335607167
  28  Al  4.044791029944  4.051800189076  4.063282932122  -0.018076469055  -0.009122626945  -0.120320453794  0.001009150034  0.002012651197  0.003540874765
  29  Al  4.008275741098  6.066149331103  6.101157938724  0.164619713432  -0.026475287656  -0.109493937204  -0.004074957808  0.001351170398  0.006266792037
  30  Al  6.064509829110  4.007093292683  6.063067601993  -0.008967302834  0.032794251163  0.022304814628  0.001150333701  -0.004368930212  0.000920740223
  31  Al  6.084651191404  6.043989956970  4.035156110966  -0.069756045333  0.038959192334  -0.081211533478  0.003988818438  -0.001774810278  -0.000458759606


MDSTEP:  15
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.071694642576  0.000000000000  0.000000000000
  0.000000000000  8.071870751475  0.000000000000
  0.000000000000  0.000000000000  8.072251409089
VIRIAL (kbar)
  -75.325884402942  -0.053723257424  0.007613382770
  -0.053723257424  -75.367423141868  -0.247192737841
  0.007613382770  -0.247192737841  -74.249552412444
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.038846044519  8.062283619578  8.057023964572  0.100000815156  0.006636319281  -0.071403740698  -0.004314945032  -0.001277937183  -0.002103107595
  1  Al  8.056315187108  1.995670236138  1.988251426431  0.093682058195  0.055924262646  0.005736649663  -0.001977041343  -0.002938818038  -0.003989930279
  2  Al  1.999184983812  8.041205756269  2.001567073639  0.040534000631  0.005171980399  0.075599074087  -0.002472169107  -0.004108429191  -0.002142169944
  3  Al  1.997881301027  2.008570947002  8.066695433541  0.019570031489  -0.014190779821  -0.122385598213  -0.002664831093  -0.001271368614  -0.000855272604
  4  Al  0.005289064205  8.048280145391  4.083789990716  0.075725868776  0.012629261689  -0.141527622846  0.000775661280  -0.003149016672  0.006262202466
  5  Al  0.004278707540  2.017494357630  6.072287662456  -0.010082810748  -0.022088730784  -0.052331211129  0.000561559018  -0.000081664651  0.002380421930
  6  Al  2.009386789421  8.066982354520  6.047256862172  -0.045002331599  0.121626796187  0.028285543423  -0.001184582115  -0.000544169856  -0.000905359411
  7  Al  2.015647437713  2.024514088806  4.054592678494  -0.020925987729  -0.050708641409  0.028390153282  -0.000321770177  0.000830887397  0.002500049598
  8  Al  8.058785923215  4.064718484702  8.031219783392  0.001887205409  -0.082341294468  0.081755162156  -0.001729315149  0.003781502753  -0.005425024921
  9  Al  0.009440573107  6.050026826235  2.015035708428  0.007823374413  -0.004704666193  0.060253051249  0.001273088117  -0.000522133896  -0.000351022044
  10  Al  2.036213803878  4.001938914629  2.013246834565  -0.045836746509  0.223510907920  0.090173733149  0.002414142949  -0.004353812433  -0.000566553328
  11  Al  2.025152327200  6.063897794174  0.034009609944  -0.073476162989  0.010903064305  0.074307121667  0.000902948398  0.001352077077  0.004627065898
  12  Al  8.054771213383  4.046904002662  4.009934736440  0.120846859568  0.012996737746  0.108065308069  -0.002161589259  0.001484478261  -0.003410764193
  13  Al  0.002672602970  6.043036273716  6.026313315976  0.000045883634  0.012329752758  0.059790772240  0.000360122353  -0.001443755508  -0.003680963097
  14  Al  2.012748996605  4.024175720752  6.066387040111  -0.067222580855  -0.084637611220  -0.068393003759  -0.000754506906  -0.001653181914  0.001575004963
  15  Al  2.047259065393  6.058416441975  4.005431036180  -0.137186477626  -0.049697677449  -0.024448964090  0.003809891486  0.000561326303  -0.004139552850
  16  Al  4.070582978101  0.037206486563  8.070797356743  -0.022556022236  -0.009775029003  0.100243105951  0.004634464399  0.004980336495  -0.000104308401
  17  Al  3.994508924227  1.985629977146  2.013090452946  0.149494352441  0.060461355168  -0.011667348740  -0.005404547081  -0.004279277949  -0.000677399138
  18  Al  6.081374789565  8.040572211453  1.980985941525  -0.138051461030  -0.013011350084  0.060159453327  0.003575320683  -0.004207643984  -0.004918900380
  19  Al  6.065543005510  2.054044055220  8.027258179105  -0.112082432411  -0.120581591989  0.009915585659  0.001475169839  0.004729461655  -0.006024778307
  20  Al  4.046584168709  0.039280294612  4.039797425856  -0.054787223757  -0.134192237780  -0.028271881258  0.001390569784  0.005145115985  0.000467329430
  21  Al  4.043894207968  2.006818740905  6.061860671711  0.018787575636  0.050438593726  0.077192807265  0.001095904125  -0.001450899994  0.001098541360
  22  Al  6.054138695994  0.002915977259  6.058418535905  0.016597973364  0.130384836075  0.044673061897  0.000064850200  0.000509973626  0.000608404210
  23  Al  6.082383025523  2.023671928520  4.025803787332  -0.090507680249  -0.008439502425  0.141821874826  0.003752726762  0.000756789438  -0.001253359675
  24  Al  4.042861490805  4.032075012301  0.040189251638  0.052184398836  -0.041447565029  -0.123342992329  0.000988295644  -0.000554155780  0.005277771268
  25  Al  4.022645355341  6.089765475949  2.052050106578  0.030997615937  -0.073893460544  -0.072727143494  -0.001744532807  0.004738184911  0.004490787143
  26  Al  6.034990997374  4.062847229186  1.993237401686  -0.003534383665  0.030053906620  0.050599145530  -0.002522912428  0.003635213605  -0.003285748745
  27  Al  6.039373518097  6.070048415351  0.032688655950  0.021037334663  -0.066507439724  -0.065519742162  -0.001908777412  0.002105020543  0.004326336740
  28  Al  4.043499230304  4.051018783304  4.063283932681  -0.021534239543  -0.007493331631  -0.129210449633  0.001006073706  0.002012088468  0.003520161097
  29  Al  4.004466240350  6.064147835827  6.101637649698  0.173696301034  -0.029824136491  -0.118169722180  -0.004046585951  0.001346755805  0.006249264902
  30  Al  6.062392431675  4.003142663277  6.060896691179  -0.007456546974  0.039108991992  0.020366254203  0.001149395887  -0.004364504370  0.000924971705
  31  Al  6.083941390665  6.040438157183  4.033171236258  -0.072668561260  0.041358279530  -0.087928437111  0.003977923426  -0.001768442292  -0.000474091214


MDSTEP:  16
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.067883359145  0.000000000000  0.000000000000
  0.000000000000  8.068083523203  0.000000000000
  0.000000000000  0.000000000000  8.068526503036
VIRIAL (kbar)
  -74.215607782016  -0.060250455278  0.008797896299
  -0.060250455278  -74.264821221800  -0.280780825088
  0.008797896299  -0.280780825088  -72.993687701893
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.032897247685  8.057862211462  8.052251330508  0.106770159934  0.008780200530  -0.075810571208  -0.004298575651  -0.001277182766  -0.002117282472
  1  Al  8.051526822148  1.993266967176  1.985339228780  0.098695859738  0.060125413454  0.005801046137  -0.001960810175  -0.002929876067  -0.003990816332
  2  Al  1.997006726236  8.035378912917  1.999575742481  0.043899080986  0.009487799012  0.079983892466  -0.002465833805  -0.004109124858  -0.002129287230
  3  Al  1.995606390264  2.006992224330  8.062539981624  0.021491458777  -0.015511438776  -0.129491347870  -0.002662468806  -0.001274645557  -0.000878206722
  4  Al  0.005677785220  8.042930026838  4.085030349050  0.079504548335  0.015386605203  -0.152832682853  0.000789923334  -0.003148049444  0.006238890473
  5  Al  0.004557018777  2.016505952808  6.070673514648  -0.011394684239  -0.024313258714  -0.055696395211  0.000559914421  -0.000085853854  0.002371906170
  6  Al  2.007843691764  8.062930767745  6.044014961342  -0.046138132002  0.130746928978  0.032068752072  -0.001193314106  -0.000521868088  -0.000900397645
  7  Al  2.014533869878  2.023977391714  4.053973009227  -0.021440532522  -0.054192175586  0.029517786735  -0.000325716760  0.000821912855  0.002506429421
  8  Al  8.054116153657  4.064698455221  8.024804926876  0.001173802798  -0.089220643806  0.088604807221  -0.001729891206  0.003768008381  -0.005412398744
  9  Al  0.010073015119  6.046926944072  2.013933058776  0.006325489625  -0.005064767115  0.063160098698  0.001274978914  -0.000523262500  -0.000340155064
  10  Al  2.036457381201  3.997894313107  2.012038580864  -0.049277934015  0.236577154405  0.096013603717  0.002406823970  -0.004314797250  -0.000550176627
  11  Al  2.024644287971  6.061729215689  0.036310791749  -0.077115366858  0.010926180000  0.077319233622  0.000889926018  0.001354689428  0.004642848447
  12  Al  8.049892516601  4.045748069083  4.006383800390  0.128526139783  0.011145523507  0.114813814717  -0.002140352205  0.001487362110  -0.003392473556
  13  Al  0.002851405940  6.039479617562  6.021694672537  -0.002087891154  0.013198645834  0.065271278404  0.000360116716  -0.001442177861  -0.003671549210
  14  Al  2.011418358005  4.021457243014  6.064372185068  -0.069822923031  -0.090890861321  -0.072647304660  -0.000767132447  -0.001669685282  0.001563150057
  15  Al  2.048191225859  6.055852347985  4.001511858622  -0.146015787516  -0.052944334382  -0.023864849698  0.003786439343  0.000552422092  -0.004145862788
  16  Al  4.070977180880  0.039678784489  8.067025446763  -0.023256362716  -0.010589232407  0.106953775462  0.004632645147  0.004980947901  -0.000085830832
  17  Al  3.989927183495  1.982561385471  2.011822296771  0.161546700273  0.064819121462  -0.012931546574  -0.005379389163  -0.004270165231  -0.000679924383
  18  Al  6.080284800782  8.034695244894  1.977615039210  -0.148824396704  -0.010466179330  0.065611555927  0.003551424776  -0.004211798387  -0.004910018113
  19  Al  6.063411567416  2.055439685868  8.020542060685  -0.120242787592  -0.130539158961  0.013966502405  0.001455119917  0.004709316030  -0.006025538567
  20  Al  4.045366300307  0.041828449949  4.038165681985  -0.057222468710  -0.142625488870  -0.030493699433  0.001381237054  0.005122875513  0.000462299189
  21  Al  4.042533563487  2.005153962048  6.059616177435  0.021088589009  0.054458865416  0.082651979585  0.001100008422  -0.001442228567  0.001113362819
  22  Al  6.051313226947  0.003175425110  6.055929105827  0.016124236922  0.139537628540  0.048042822484  0.000067808128  0.000534359467  0.000616987366
  23  Al  6.081383389232  2.023100466204  4.023325749515  -0.098274984085  -0.009381814380  0.150074538492  0.003737689648  0.000755565452  -0.001227860501
  24  Al  4.041449021680  4.029904276656  0.042804104762  0.056535955973  -0.045821391120  -0.133141377009  0.000998503197  -0.000562230118  0.005257373003
  25  Al  4.019875057981  6.089274040968  2.053345361306  0.036142030733  -0.078472035400  -0.079653084662  -0.001739386348  0.004726874351  0.004479319686
  26  Al  6.030879776312  4.062759955263  1.990677002223  -0.003472877868  0.029056448347  0.054913852381  -0.002524778771  0.003642274760  -0.003277892989
  27  Al  6.035568396179  6.068249966922  0.034833832545  0.020973722328  -0.071306015387  -0.072164875405  -0.001905958693  0.002093725203  0.004316104333
  28  Al  4.042092054748  4.050123811013  4.063163270343  -0.021457080210  -0.009181909013  -0.137275556777  0.001002723747  0.002011580055  0.003498023681
  29  Al  4.000559866484  6.061974659302  6.101941455823  0.186450870565  -0.031692443341  -0.124956791790  -0.004016369609  0.001341912681  0.006230528055
  30  Al  6.060104268346  3.999083910186  6.058563316546  -0.009715051665  0.042845860298  0.019973847707  0.001148425187  -0.004359307503  0.000929023537
  31  Al  6.083054415149  6.036721672381  4.031069169264  -0.079489384895  0.045120772923  -0.093783105083  0.003966272000  -0.001761572947  -0.000490567873


MDSTEP:  17
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.063849721780  0.000000000000  0.000000000000
  0.000000000000  8.064075424709  0.000000000000
  0.000000000000  0.000000000000  8.064587348415
VIRIAL (kbar)
  -73.033876335236  -0.067437140691  0.010818073391
  -0.067437140691  -73.090090457390  -0.316955588098
  0.010818073391  -0.316955588098  -71.655458964866
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.026736563580  8.053220985198  8.047258081657  0.116053046932  0.008571164360  -0.080577493141  -0.004280889703  -0.001276292490  -0.002132345175
  1  Al  8.046525357858  1.990814476985  1.982374792176  0.106316605552  0.064907113727  0.007981966947  -0.001943498977  -0.002920212444  -0.003991616028
  2  Al  1.994777330433  8.029332902059  1.997538444670  0.045072594525  0.011936562077  0.085939720908  -0.002459162381  -0.004109336744  -0.002115534275
  3  Al  1.993278374705  2.005357159288  8.058158855030  0.021241024638  -0.016310164607  -0.136615649523  -0.002660034653  -0.001278151134  -0.000902449755
  4  Al  0.006073465196  8.037361070948  4.086148633947  0.085493981568  0.016545820077  -0.164326836197  0.000805089463  -0.003146824029  0.006213706383
  5  Al  0.004834191311  2.015460170102  6.068893212861  -0.010463652339  -0.026018630699  -0.061140695723  0.000558251497  -0.000090399109  0.002362666178
  6  Al  2.006241120638  8.058670135228  6.040615428015  -0.049394500856  0.137709352088  0.034459997282  -0.001202478574  -0.000498132297  -0.000894907007
  7  Al  2.013362860735  2.023380450077  4.053248356046  -0.024596581154  -0.057141696613  0.030734182513  -0.000330003210  0.000812382696  0.002513093598
  8  Al  8.049224497357  4.064559212579  8.018184850179  0.003167175891  -0.093810441223  0.095349738749  -0.001730404265  0.003753592371  -0.005398705250
  9  Al  0.010705757664  6.043661064482  2.012782574970  0.007279072179  -0.005954771015  0.067406498336  0.001276859709  -0.000524518839  -0.000328652744
  10  Al  2.036640451497  3.993761372884  2.010785478287  -0.055133630344  0.252099214470  0.103430811510  0.002398741129  -0.004273332822  -0.000532622059
  11  Al  2.024073563601  6.059395682767  0.038617967702  -0.082762323157  0.010135044486  0.080084302708  0.000876092978  0.001357274233  0.004659288022
  12  Al  8.044803430536  4.044482391084  4.002736710881  0.138869076229  0.010803493037  0.121877726142  -0.002117556119  0.001490095000  -0.003373035627
  13  Al  0.003029947245  6.035758791460  6.016921930036  -0.001973823927  0.013625620142  0.069564461090  0.000359941121  -0.001440525930  -0.003661361546
  14  Al  2.010026034258  4.018620532577  6.062189819949  -0.074526206462  -0.094789948057  -0.078599157494  -0.000780440180  -0.001687153875  0.001550421275
  15  Al  2.049053921370  6.053117742537  3.997484251802  -0.157015169931  -0.056918490844  -0.022780186543  0.003761314198  0.000542883935  -0.004152145036
  16  Al  4.071257152883  0.042149098962  8.063048888749  -0.026225770996  -0.014151734043  0.113383667814  0.004630633848  0.004981314638  -0.000066171513
  17  Al  3.985249867505  1.979444271947  2.010499556624  0.171138241532  0.069931260844  -0.012519995888  -0.005352442179  -0.004260326616  -0.000682546543
  18  Al  6.079013967592  8.028597344666  1.974197440903  -0.157327428712  -0.010048590285  0.072862767719  0.003525898116  -0.004215813738  -0.004900135731
  19  Al  6.061102284295  2.056767423941  8.013614156625  -0.126116958839  -0.140460184995  0.017806880129  0.001433847883  0.004687521093  -0.006025765647
  20  Al  4.044031838171  0.044362760529  4.036423988701  -0.062051005773  -0.153558805310  -0.032308092434  0.001371290912  0.005099042618  0.000456918736
  21  Al  4.041063401456  2.003439144733  6.057218178461  0.021129352810  0.058955111210  0.086420647306  0.001104356743  -0.001432833599  0.001129048586
  22  Al  6.048322423564  0.003447265815  6.053283170015  0.017765299345  0.146468151552  0.049854242977  0.000070873945  0.000560211491  0.000626055704
  23  Al  6.080207399156  2.022472788678  4.020754282122  -0.103515655487  -0.009764315879  0.158695528856  0.003721592275  0.000754244591  -0.001200874899
  24  Al  4.039930232834  4.027619117214  0.045405970811  0.058277737759  -0.047524786002  -0.143227571722  0.001009290335  -0.000570868483  0.005235336681
  25  Al  4.016997185116  6.088608938885  2.054579015876  0.038946489729  -0.083783608484  -0.085521767439  -0.001733577927  0.004714812633  0.004466830369
  26  Al  6.026602006373  4.062564093812  1.988068619769  -0.001226305176  0.029939416213  0.061225817655  -0.002526514346  0.003649436284  -0.003269176709
  27  Al  6.031598787801  6.066279041433  0.036971675581  0.022770292942  -0.076445622826  -0.079485537477  -0.001903039959  0.002081597023  0.004304741286
  28  Al  4.040571569317  4.049117162471  4.062922478795  -0.023837678797  -0.008667899096  -0.145221052429  0.000999195773  0.002011025478  0.003474543516
  29  Al  3.996559864250  6.059632711444  6.102072124212  0.196846425363  -0.034105052530  -0.133131563687  -0.003984186630  0.001336723751  0.006210621971
  30  Al  6.057648229127  3.994919466068  6.056070859998  -0.009795054589  0.049034395933  0.017675058570  0.001147278851  -0.004353348596  0.000932863256
  31  Al  6.081992721471  6.032843943755  4.028851673845  -0.084404670461  0.048793022295  -0.099298417515  0.003953682524  -0.001754087089  -0.000508083425


MDSTEP:  18
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.059598123529  0.000000000000  0.000000000000
  0.000000000000  8.059850833377  0.000000000000
  0.000000000000  0.000000000000  8.060438797080
VIRIAL (kbar)
  -71.777298940483  -0.074932821567  0.012126774520
  -0.074932821567  -71.843511874257  -0.354068934259
  0.012126774520  -0.354068934259  -70.236764696973
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.020369250311  8.048364309915  8.042048659402  0.122207430859  0.010867561398  -0.086015440239  -0.004261938761  -0.001275252092  -0.002148388249
  1  Al  8.041315884441  1.988314311186  1.979359553584  0.110121181276  0.068969846434  0.007682290494  -0.001925213533  -0.002909837459  -0.003992360111
  2  Al  1.992498019797  8.023072353641  1.995456940808  0.049972486010  0.017167663053  0.090003383007  -0.002452016048  -0.004108981149  -0.002100937610
  3  Al  1.990898352140  2.003666785303  8.053556275590  0.024735321889  -0.017927282895  -0.144661972493  -0.002657386752  -0.001281911676  -0.000928087448
  4  Al  0.006476632787  8.031577784467  4.087146198908  0.088279335065  0.019692971794  -0.174992377536  0.000821071887  -0.003145304126  0.006186702175
  5  Al  0.005110303794  2.014357952174  6.066949892202  -0.012488758758  -0.028661334755  -0.064406455395  0.000556506138  -0.000095338226  0.002352708879
  6  Al  2.004579893211  8.054205460620  6.037062121306  -0.048565410615  0.146621592249  0.038924666841  -0.001211900102  -0.000472978745  -0.000888825572
  7  Al  2.012135229156  2.022724088013  4.052421235262  -0.023545151720  -0.060976995555  0.032980646107  -0.000334489789  0.000802264298  0.002520141561
  8  Al  8.044115539862  4.064302504595  8.011365047216  0.001549839103  -0.100878826354  0.101578593336  -0.001730934475  0.003738235020  -0.005383996177
  9  Al  0.011338875421  6.040232395232  2.011585851827  0.004635408362  -0.006072832860  0.069788593121  0.001278627643  -0.000525881203  -0.000316560902
  10  Al  2.036763569791  3.989543704837  2.009489406544  -0.057459479040  0.265017087207  0.108968536337  0.002389992342  -0.004229427040  -0.000513914803
  11  Al  2.023440740427  6.056900396576  0.040931350889  -0.084613812994  0.010295675796  0.081050010524  0.000861607558  0.001359843391  0.004676200782
  12  Al  8.039509290147  4.043109114542  3.998996549599  0.145795527624  0.008488400805  0.129820082885  -0.002093265330  0.001492634947  -0.003352340425
  13  Al  0.003208234097  6.031877128377  6.011999137654  -0.005410825984  0.014829606489  0.075714602226  0.000359478787  -0.001438769047  -0.003650337587
  14  Al  2.008572709742  4.015667443538  6.059843040442  -0.075073743494  -0.100869410723  -0.082631464770  -0.000794247366  -0.001705573012  0.001536836594
  15  Al  2.049847236049  6.050215549034  3.993350768915  -0.164557681549  -0.059802424780  -0.020078296290  0.003734627283  0.000532743168  -0.004158208674
  16  Al  4.071424786972  0.044617070737  8.058873109601  -0.026272296828  -0.015538043778  0.118806005208  0.004628486921  0.004981383484  -0.000045443900
  17  Al  3.980480074170  1.976280222687  2.009123487257  0.184827945092  0.074049602791  -0.013995106731  -0.005323555076  -0.004249780885  -0.000685284367
  18  Al  6.077564795768  8.022282960027  1.970735043341  -0.169941833643  -0.006355251589  0.078683277884  0.003498572286  -0.004219585865  -0.004889216994
  19  Al  6.058617914173  2.058027438712  8.006479705948  -0.135724125011  -0.151310340516  0.022040580108  0.001411221903  0.004663993052  -0.006025440207
  20  Al  4.042582535939  0.046882207450  4.034574606468  -0.063547848159  -0.162141523312  -0.033435555205  0.001360813823  0.005073599707  0.000451285240
  21  Al  4.039485912882  2.001675796904  6.054670642172  0.024089392713  0.063017829966  0.092086651023  0.001109007967  -0.001422709806  0.001145617976
  22  Al  6.045169726717  0.003732114104  6.050484524620  0.015547449601  0.155128985618  0.053474450170  0.000073891893  0.000587487760  0.000635632099
  23  Al  6.078857851011  2.021789949937  4.018092590145  -0.113183218604  -0.011189384389  0.167519455829  0.003704261744  0.000752783259  -0.001172348947
  24  Al  4.038307468060  4.025221575135  0.047993910300  0.063472925076  -0.051960633357  -0.154964006322  0.001020733037  -0.000580076995  0.005211484531
  25  Al  4.014014198264  6.087772939455  2.055751726272  0.045681346905  -0.088017979855  -0.093330539838  -0.001726963947  0.004702027585  0.004453236986
  26  Al  6.022161204076  4.062261882525  1.985414055249  -0.002302681010  0.028148307947  0.065639203674  -0.002528219944  0.003656626241  -0.003259588660
  27  Al  6.027468164028  6.064138445536  0.039101499417  0.020919075778  -0.081251165008  -0.088463162650  -0.001900180089  0.002068633419  0.004292035844
  28  Al  4.038939749504  4.048001055890  4.062563248712  -0.022672701947  -0.010532260672  -0.151835941100  0.000995586366  0.002010408170  0.003449846690
  29  Al  3.992469392081  6.057125048724  6.102032518068  0.210735422412  -0.035737165600  -0.139394762419  -0.003949931075  0.001331209129  0.006189588947
  30  Al  6.055027592185  3.990652108440  6.053422748034  -0.014024112225  0.053890771390  0.017019657651  0.001145780052  -0.004346525084  0.000936467032
  31  Al  6.080759132480  6.028808596922  4.026520686782  -0.093186406184  0.053036953061  -0.103575605434  0.003939976854  -0.001745940219  -0.000526498102


MDSTEP:  19
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.055133222237  0.000000000000  0.000000000000
  0.000000000000  8.055414382176  0.000000000000
  0.000000000000  0.000000000000  8.056085977890
VIRIAL (kbar)
  -70.449255635012  -0.082850907772  0.014363158845
  -0.082850907772  -70.524452478712  -0.394279610145
  0.014363158845  -0.394279610145  -68.735803725566
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.013800547060  8.043297033177  8.036627720289  0.132780508273  0.010191623952  -0.089754595229  -0.004241603869  -0.001274102652  -0.002165320181
  1  Al  8.035903413782  1.985768012336  1.976294793636  0.118562988012  0.073731443601  0.010098968551  -0.001905878014  -0.002898750710  -0.003993025598
  2  Al  1.990170414782  8.016602398336  1.993332889392  0.049956014750  0.020321250920  0.096185218657  -0.002444499519  -0.004107993003  -0.002085474748
  3  Al  1.988467818938  2.001922125454  8.048736659156  0.023308206588  -0.019052820859  -0.150497136312  -0.002654628944  -0.001285956232  -0.000955006260
  4  Al  0.006887530725  8.025585104668  4.088024616289  0.094975162015  0.020555489662  -0.187914679855  0.000837934810  -0.003143514710  0.006157744684
  5  Al  0.005385171126  2.013200221763  6.064847092674  -0.010457799751  -0.030716687327  -0.070155635225  0.000554776328  -0.000100702964  0.002342004937
  6  Al  2.002861257141  8.049542176728  6.033359292524  -0.052442290146  0.152554240162  0.041450721729  -0.001221634362  -0.000446497094  -0.000882140200
  7  Al  2.010852236118  2.022009115181  4.051494396108  -0.027788161375  -0.064196169207  0.032930301025  -0.000339273932  0.000791532308  0.002527459424
  8  Al  8.038793807189  4.063929988768  8.004351237423  0.004549566947  -0.104996204101  0.109656106745  -0.001731391158  0.003721975617  -0.005368148412
  9  Al  0.011972122590  6.036644404344  2.010344386293  0.005866133281  -0.006773609284  0.073976665140  0.001280307006  -0.000527332587  -0.000303883607
  10  Al  2.036827675107  3.985244810542  2.008152145843  -0.064977031691  0.280612936566  0.116654213917  0.002380427121  -0.004183067674  -0.000494028938
  11  Al  2.022746811257  6.054246836213  0.043250997797  -0.091352634400  0.009464455449  0.083385990412  0.000846370555  0.001362392892  0.004693547314
  12  Al  8.034015387583  4.041630338005  3.995166611789  0.157147461227  0.008274622476  0.135917222549  -0.002067386497  0.001494992841  -0.003330470962
  13  Al  0.003385956567  6.027838221148  6.006930714697  -0.004606818370  0.015480910565  0.080246333687  0.000358791078  -0.001436886394  -0.003638453186
  14  Al  2.007059506033  4.012599761608  6.057335323238  -0.080450779687  -0.103619693566  -0.088798204315  -0.000808615002  -0.001724840836  0.001522374842
  15  Al  2.050571632927  6.047148980628  3.989114242333  -0.176819431338  -0.063529794682  -0.018503924539  0.003706261737  0.000522020722  -0.004164008139
  16  Al  4.071482373851  0.047082539477  8.054503722842  -0.030260983362  -0.020180477628  0.125884176140  0.004626111084  0.004981055634  -0.000023588267
  17  Al  3.975621395067  1.973070794999  2.007695243391  0.193888455646  0.078945112143  -0.013346181010  -0.005292770367  -0.004238544648  -0.000688116515
  18  Al  6.075939625584  8.015757085027  1.967229679788  -0.177483366397  -0.005540448402  0.086952280706  0.003469529226  -0.004223077581  -0.004877167375
  19  Al  6.055961081496  2.059219884671  7.999144254073  -0.140446622445  -0.161941047713  0.028099163846  0.001387342314  0.004638664197  -0.006024360682
  20  Al  4.041020578842  0.049385986726  4.032619996174  -0.069137945222  -0.173882826470  -0.036005426504  0.001349736216  0.005046470067  0.000445330474
  21  Al  4.037803683078  1.999865450272  6.051977914219  0.023135728112  0.067541682141  0.095496087606  0.001113873142  -0.001411853145  0.001163039718
  22  Al  6.041858430915  0.004030739560  6.047537335739  0.017986411470  0.160889297585  0.054930731692  0.000076933444  0.000616085737  0.000645685297
  23  Al  6.077337346860  2.021052975346  4.015344033733  -0.117576403721  -0.011985028864  0.174730071161  0.003685770607  0.000751144037  -0.001142405782
  24  Al  4.036583513037  4.022713574701  0.050566841504  0.064266649184  -0.053227707006  -0.165015473450  0.001032747123  -0.000589817239  0.005185814849
  25  Al  4.010929041100  6.086769104711  2.056864048727  0.048505181489  -0.093060038387  -0.099421847824  -0.001719541126  0.004688540220  0.004438516141
  26  Al  6.017560785244  4.061855450929  1.982715005870  0.001627847366  0.029004356736  0.072644526942  -0.002529744003  0.003663841136  -0.003249064274
  27  Al  6.023179866681  6.061831209414  0.041222474548  0.023739501977  -0.086453728552  -0.095905538863  -0.001897286597  0.002054826695  0.004277973632
  28  Al  4.037199021107  4.046777626419  4.062087531857  -0.025786859954  -0.009447074155  -0.160317658122  0.000991829256  0.002009778304  0.003423881559
  29  Al  3.988292049158  6.054454990314  6.101825885456  0.220192592752  -0.037920748964  -0.147809268990  -0.003913682076  0.001325388244  0.006167402795
  30  Al  6.052245464395  3.986284619630  6.050622762666  -0.013446301580  0.061740200648  0.013886902383  0.001143986855  -0.004338685766  0.000939759913
  31  Al  6.079356327639  6.024619498661  4.024078393779  -0.097454979648  0.057216482561  -0.109680112649  0.003925209764  -0.001737085416  -0.000545865854


MDSTEP:  20
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.050459927656  0.000000000000  0.000000000000
  0.000000000000  8.050770959131  0.000000000000
  0.000000000000  0.000000000000  8.051534299169
VIRIAL (kbar)
  -69.045588851557  -0.090446302193  0.016842858218
  -0.090446302193  -69.132941255756  -0.435524782881
  0.016842858218  -0.435524782881  -67.155009620320
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.007036335759  8.038023990685  8.031000350203  0.139725801070  0.012725808493  -0.094818343545  -0.004219810465  -0.001272822219  -0.002183107849
  1  Al  8.030293622226  1.983177246406  1.973182101616  0.122860520115  0.078837808141  0.010104097848  -0.001885445782  -0.002886856560  -0.003993583206
  2  Al  1.987795756938  8.009928232334  1.991168205830  0.053868610146  0.026927536861  0.100263372817  -0.002436699362  -0.004106247111  -0.002069142000
  3  Al  1.985987891975  2.000124309392  8.043704898087  0.025966879355  -0.019972449126  -0.157754258598  -0.002651834567  -0.001290222258  -0.000983137337
  4  Al  0.007306751894  8.019388016704  4.088785403051  0.098018564064  0.024374503391  -0.199661002642  0.000855702418  -0.003141394065  0.006126731454
  5  Al  0.005658971350  2.011988017853  6.062588344379  -0.012115060306  -0.032514553094  -0.073651413932  0.000553094625  -0.000106418277  0.002330531591
  6  Al  2.001086101349  8.044685704286  6.029511228288  -0.051945870492  0.161359962697  0.046433641692  -0.001231711304  -0.000418694403  -0.000874803392
  7  Al  2.009514732005  2.021236460956  4.050470524694  -0.027737520573  -0.067164384436  0.034369849793  -0.000344445432  0.000780262955  0.002534974308
  8  Al  8.033264488432  4.063443717609  7.997149579308  0.003514251258  -0.112330768823  0.116522532386  -0.001731721488  0.003704787285  -0.005351100713
  9  Al  0.012605600899  6.032900698568  2.009059906160  0.003336381689  -0.007718747813  0.076070175561  0.001281907466  -0.000528946858  -0.000290645485
  10  Al  2.036833307635  3.980868554039  2.006775737534  -0.068525744047  0.293021567095  0.122283164306  0.002369934043  -0.004134294382  -0.000472954298
  11  Al  2.021992395935  6.051438584626  0.045577091965  -0.093802669348  0.008455845385  0.083551788985  0.000830326765  0.001364817714  0.004711254916
  12  Al  8.028327660293  4.040048476754  3.991250163797  0.164778481808  0.005032665190  0.143594059184  -0.002039853301  0.001497085169  -0.003307447436
  13  Al  0.003563184204  6.023645803136  6.001721141537  -0.007832906946  0.015699937189  0.086994216228  0.000357896526  -0.001434965244  -0.003625651913
  14  Al  2.005487175371  4.009419696299  6.054670165542  -0.081446546030  -0.109290368783  -0.092917402674  -0.000823583963  -0.001744921621  0.001507026189
  15  Al  2.051227219913  6.043921366982  3.984777539209  -0.185211920339  -0.067412801435  -0.014987010664  0.003676137323  0.000510626081  -0.004169468614
  16  Al  4.071431982071  0.049545058369  8.049946769192  -0.030909919280  -0.022063236250  0.131336962654  0.004623450159  0.004980284266  -0.000000600038
  17  Al  3.970677128584  1.969817675354  2.006216238831  0.207299137485  0.084235514726  -0.014764099601  -0.005260107814  -0.004226510198  -0.000691037734
  18  Al  6.074141443349  8.009024707568  1.963683467162  -0.189236830425  -0.000935224450  0.093322744924  0.003438841741  -0.004226205527  -0.004863933930
  19  Al  6.053135037924  2.060345004309  7.991613782892  -0.149006288739  -0.172669742490  0.033715552896  0.001362300084  0.004611540881  -0.006022399897
  20  Al  4.039347913528  0.051873017019  4.030562630014  -0.070994526547  -0.182698084962  -0.037136755461  0.001338024344  0.005017628177  0.000439053361
  21  Al  4.036019074398  1.998009740088  6.049144349078  0.025654281615  0.072643533801  0.100975356882  0.001118912698  -0.001400169032  0.001181297965
  22  Al  6.038392435941  0.004343652659  6.044445786147  0.016206270360  0.169251268217  0.058546437016  0.000080037894  0.000645980817  0.000656215391
  23  Al  6.075649152880  2.020263011018  4.012511966995  -0.126487447904  -0.012511167703  0.183026168285  0.003666183162  0.000749406788  -0.001111089581
  24  Al  4.034760886714  4.020097450585  0.053123838929  0.068794235583  -0.057610477622  -0.177093193955  0.001045273457  -0.000600085071  0.005158292059
  25  Al  4.007744431936  6.085600620295  2.057916767578  0.055512345818  -0.098206294009  -0.107844322785  -0.001711283462  0.004674265766  0.004422609266
  26  Al  6.012804799927  4.061347296031  1.979973466988  0.001762894029  0.026230523693  0.077579314291  -0.002530977059  0.003670991906  -0.003237554174
  27  Al  6.018737842355  6.059360521132  0.043333913241  0.022429575944  -0.092165015648  -0.105688436726  -0.001894310055  0.002040093683  0.004262478939
  28  Al  4.035351554294  4.045449402297  4.061497256649  -0.024985075486  -0.011484268734  -0.166920015386  0.000987891226  0.002009119499  0.003396645373
  29  Al  3.984031160322  6.051625998680  6.101455498276  0.233751700826  -0.040461007054  -0.154088788711  -0.003875464178  0.001319178798  0.006144057070
  30  Al  6.049305572373  3.981820172958  6.047674674937  -0.017124708353  0.067452093313  0.012441251176  0.001141947725  -0.004329751207  0.000942670763
  31  Al  6.077787582639  6.020280699567  4.021526956601  -0.106116896349  0.060960024238  -0.113805642244  0.003909388780  -0.001727565754  -0.000566174446


MDSTEP:  21
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.045583411591  0.000000000000  0.000000000000
  0.000000000000  8.045925704418  0.000000000000
  0.000000000000  0.000000000000  8.046789437870
VIRIAL (kbar)
  -67.571209196861  -0.099033148269  0.019321043654
  -0.099033148269  -67.669009580582  -0.479755413222
  0.019321043654  -0.479755413222  -65.491931390012
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.000082431618  8.032550556018  8.025171783141  0.150696871889  0.012474126330  -0.098115738700  -0.004196518889  -0.001271372118  -0.002201712059
  1  Al  8.024492075540  1.980543770265  1.970022914141  0.131249028930  0.083476992825  0.013237792846  -0.001863918912  -0.002874163473  -0.003993966669
  2  Al  1.985375702062  8.003055608631  1.988964682221  0.053849178735  0.031583837827  0.106875609985  -0.002428614102  -0.004103606644  -0.002051898384
  3  Al  1.983460116240  1.998274547004  8.038466025554  0.024447197011  -0.021641812453  -0.162602049700  -0.002649010490  -0.001294758168  -0.001012394098
  4  Al  0.007734563278  8.012992019095  4.089430322475  0.104440153684  0.026185904460  -0.213601753911  0.000874351339  -0.003138855572  0.006093565276
  5  Al  0.005931553361  2.010722465450  6.060177582952  -0.010093151324  -0.035090059126  -0.080162738111  0.000551459899  -0.000112531166  0.002318218376
  6  Al  1.999255770150  8.039641972268  6.025522635318  -0.055390299941  0.167366394680  0.048959258194  -0.001242092462  -0.000389561523  -0.000866813943
  7  Al  2.008124016282  2.020407141091  4.049352577235  -0.032126587782  -0.070748343492  0.033455883598  -0.000350017719  0.000768422302  0.002542608162
  8  Al  8.027532672291  4.062845585919  7.989766385855  0.006731180968  -0.116822763151  0.125571159197  -0.001731905182  0.003686633295  -0.005332761774
  9  Al  0.013239077136  6.029005051421  2.007734018650  0.004378481745  -0.008142315654  0.080308284094  0.001283411604  -0.000530699170  -0.000276840860
  10  Al  2.036781430361  3.976418635853  2.005362105495  -0.076564577546  0.307997458786  0.130469152589  0.002358464236  -0.004083156512  -0.000450644049
  11  Al  2.021178564261  6.048479399313  0.047909627690  -0.100431212091  0.007760516679  0.085427530171  0.000813484268  0.001367129441  0.004729281106
  12  Al  8.022451972762  4.038365802853  3.987250743713  0.176404597518  0.003689211765  0.149219671264  -0.002010637720  0.001498810176  -0.003283308337
  13  Al  0.003739626631  6.019303756742  5.996375294135  -0.007363169924  0.016818696020  0.091669005379  0.000356764898  -0.001432963002  -0.003611917821
  14  Al  2.003856926572  4.006129320672  6.051851450862  -0.086515521867  -0.112003513419  -0.099705860041  -0.000839127529  -0.001765812860  0.001490732885
  15  Al  2.051814520359  6.040536213598  3.980343830327  -0.197546934408  -0.070808416697  -0.012862692422  0.003644243017  0.000498587633  -0.004174538806
  16  Al  4.071276114394  0.052004432174  8.045208412404  -0.035154594337  -0.027084828026  0.138672438846  0.004620478789  0.004979032872  0.000023545708
  17  Al  3.965651087411  1.966522644292  2.004687769073  0.216609124018  0.088821481099  -0.013488875876  -0.005225539685  -0.004213702118  -0.000693991861
  18  Al  6.072173059160  8.002091402493  1.960098414495  -0.196908746816  0.001310220009  0.102820140885  0.003406493848  -0.004228839775  -0.004849402819
  19  Al  6.050142890283  2.061403099226  7.983894496997  -0.153415392388  -0.184479484515  0.041436205250  0.001336120491  0.004582512940  -0.006019405403
  20  Al  4.037566952920  0.054342483835  4.028405243646  -0.076538543618  -0.194434128717  -0.040056111515  0.001325680662  0.004987069549  0.000432421883
  21  Al  4.034134891679  1.996110414809  6.046174688763  0.024574274193  0.076909317012  0.103597722328  0.001124115209  -0.001387678747  0.001200323188
  22  Al  6.034775460968  0.004671596714  6.041214453704  0.018481627385  0.174816973841  0.059456525644  0.000083190789  0.000677157757  0.000667174041
  23  Al  6.073796331769  2.019421290951  4.009599973823  -0.130900030376  -0.013837363552  0.189408168230  0.003645494205  0.000747523566  -0.001078471353
  24  Al  4.032842573743  4.017375384537  0.055663801738  0.069334876813  -0.059047732625  -0.187286610846  0.001058289938  -0.000610896326  0.005128898154
  25  Al  4.004463592302  6.084270856392  2.058910530795  0.058914877832  -0.102825002286  -0.114071519779  -0.001702137437  0.004659238659  0.004405500307
  26  Al  6.007897152916  4.060739719890  1.977191312443  0.006275215181  0.025908494709  0.085584624481  -0.002531865803  0.003677971875  -0.003224966017
  27  Al  6.014145863014  6.056729714559  0.045434923217  0.025109240068  -0.097097114834  -0.113884765728  -0.001891261958  0.002024456247  0.004245480402
  28  Al  4.033400001372  4.044018760669  4.060794657780  -0.028085407216  -0.010846846967  -0.175632997244  0.000983772724  0.002008390735  0.003368113429
  29  Al  3.979690543822  6.048641694882  6.100925027574  0.243362039740  -0.042151602139  -0.162922343707  -0.003835258537  0.001312623687  0.006119509101
  30  Al  6.046211459923  3.977261872401  6.044582609131  -0.016838627815  0.075997989221  0.008095574093  0.001139635781  -0.004319655970  0.000945090546
  31  Al  6.076055981018  6.015796398568  4.018868847897  -0.110985168260  0.065943712389  -0.119870689495  0.003892456929  -0.001717307591  -0.000587421703


MDSTEP:  22
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.040509089814  0.000000000000  0.000000000000
  0.000000000000  8.040884007246  0.000000000000
  0.000000000000  0.000000000000  8.041857343467
VIRIAL (kbar)
  -66.020741232477  -0.106984899767  0.022692594880
  -0.106984899767  -66.132866160019  -0.524452372401
  0.022692594880  -0.524452372401  -63.749582453352
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.992945249153  8.026882101415  8.019147681293  0.158404228216  0.014198293740  -0.102608395554  -0.004171656716  -0.001269823989  -0.002221082010
  1  Al  8.018504947028  1.977869358177  1.966819011185  0.135867562157  0.089142383973  0.014615393881  -0.001841265904  -0.002860618871  -0.003994050950
  2  Al  1.982911612843  7.995990350717  1.986724402832  0.057044506640  0.038558998541  0.112277833691  -0.002420306077  -0.004100035931  -0.002033622881
  3  Al  1.980885721429  1.996374042141  8.033025561875  0.026848403241  -0.022228990517  -0.169016403926  -0.002646178281  -0.001299534028  -0.001042702860
  4  Al  0.008171534527  8.006402676682  4.089961085143  0.107969323439  0.029646823062  -0.226498438134  0.000893926188  -0.003135929341  0.006058136815
  5  Al  0.006203095556  2.009404682257  6.057618681577  -0.011189850679  -0.036718342961  -0.085130252439  0.000549921953  -0.000119026998  0.002304931224
  6  Al  1.997371315411  8.034416907669  6.021398203986  -0.054754939128  0.174933293164  0.053036028041  -0.001252765579  -0.000359206609  -0.000858251581
  7  Al  2.006681052208  2.019522179484  4.048143438558  -0.032600752883  -0.073521369407  0.034110859206  -0.000356038118  0.000756026423  0.002550289893
  8  Al  8.021604069826  4.062137871140  7.982208431464  0.006282463923  -0.123341160005  0.133430101324  -0.001731888859  0.003667583251  -0.005313038116
  9  Al  0.013872638700  6.024961469300  2.006368590363  0.002113092775  -0.009476289435  0.083259778461  0.001284842462  -0.000532624225  -0.000262391772
  10  Al  2.036672668389  3.971899105726  2.003913469561  -0.081139945640  0.320897975891  0.137195160122  0.002345923492  -0.004029603799  -0.000426997890
  11  Al  2.020306074511  6.045373253918  0.050248757204  -0.103163993645  0.005979968821  0.084774104257  0.000795815945  0.001369258439  0.004747551155
  12  Al  8.016394788196  4.036584884108  3.983171838534  0.184744191238  0.000696415558  0.156372522773  -0.001979672724  0.001500189288  -0.003258096740
  13  Al  0.003915324248  6.014816230086  5.990898063304  -0.010192315440  0.016697290902  0.097796013101  0.000355431304  -0.001430909262  -0.003597303132
  14  Al  2.002169664641  4.002731095164  6.048883030335  -0.087353331745  -0.116214950189  -0.104970227513  -0.000855232395  -0.001787384869  0.001473390249
  15  Al  2.052333770263  6.036997256984  3.975816293637  -0.206788838143  -0.074962991048  -0.008400046191  0.003610498201  0.000485879783  -0.004179131856
  16  Al  4.071017078862  0.054460190145  8.040295256799  -0.036560485644  -0.030332533095  0.144056285523  0.004617126683  0.004977176617  0.000048844786
  17  Al  3.960546833866  1.963187477169  2.003111437767  0.230009574040  0.094775729466  -0.013715236139  -0.005189061240  -0.004200057818  -0.000696872130
  18  Al  6.070037834856  7.994962778433  1.956476872898  -0.208062391489  0.006336771455  0.111027075391  0.003372534691  -0.004230940447  -0.004833405553
  19  Al  6.046988301130  2.062394441673  7.975993054859  -0.161518076429  -0.195372430597  0.048853748488  0.001308841580  0.004551560680  -0.006015211998
  20  Al  4.035679903774  0.056793317040  4.026150549707  -0.078978787549  -0.204127705753  -0.041190685286  0.001312651245  0.004954710470  0.000425434943
  21  Al  4.032153741115  1.994169208833  6.043073625389  0.026459561380  0.082639818601  0.107741839266  0.001129423891  -0.001374324205  0.001219996804
  22  Al  6.031011770749  0.005015065357  6.037847879395  0.016836839935  0.181856998672  0.061876769057  0.000086404399  0.000709500540  0.000678454814
  23  Al  6.071782535339  2.018529040666  4.006611601639  -0.139565756733  -0.014029026697  0.196766755492  0.003623722065  0.000745523727  -0.001044631809
  24  Al  4.030831325246  4.014549945658  0.058185803644  0.073209922118  -0.062675456421  -0.199786286894  0.001071738734  -0.000622184129  0.005097589849
  25  Al  4.001089541623  6.082783422077  2.059846255875  0.065997974894  -0.108434381527  -0.122106757477  -0.001692094367  0.004643413935  0.004387219807
  26  Al  6.002842320738  4.060035371938  1.974370754954  0.007466066670  0.022795866033  0.092075313936  -0.002532314421  0.003684749251  -0.003211157543
  27  Al  6.009408238293  6.053942382262  0.047524758986  0.024152417878  -0.103475048027  -0.124528088632  -0.001888109596  0.002007852363  0.004226896894
  28  Al  4.031346788844  4.042488444373  4.059981921642  -0.027663190125  -0.012427292945  -0.182244570730  0.000979438986  0.002007631809  0.003338280728
  29  Al  3.975273782458  6.045505964137  6.100238127625  0.256310816491  -0.045075140931  -0.170115115973  -0.003793114387  0.001305687424  0.006093671787
  30  Al  6.042967209439  3.972613195284  6.041350635683  -0.020652143247  0.083583425982  0.004923557747  0.001137038087  -0.004308229139  0.000946864176
  31  Al  6.074165132618  6.011171090360  4.016106502785  -0.119532146514  0.069673055693  -0.123878634865  0.003874420962  -0.001706310339  -0.000609598491


MDSTEP:  23
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.035242635341  0.000000000000  0.000000000000
  0.000000000000  8.035651501921  0.000000000000
  0.000000000000  0.000000000000  8.036744224720
VIRIAL (kbar)
  -64.399151538564  -0.116127203782  0.025847001714
  -0.116127203782  -64.523604862237  -0.572058730465
  0.025847001714  -0.572058730465  -61.926070599464
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.985631163509  8.021024419473  8.012933856933  0.169289317865  0.014494859045  -0.106234664228  -0.004145227127  -0.001268128015  -0.002241247329
  1  Al  8.012338327914  1.975155934207  1.963572075924  0.143666892540  0.094167505910  0.017381407859  -0.001817536538  -0.002846185508  -0.003993866439
  2  Al  1.980405200930  7.988738730073  1.984449406010  0.057385236174  0.044993911956  0.118277500981  -0.002411741254  -0.004095373046  -0.002014367488
  3  Al  1.978266349147  1.994424155339  8.027389145753  0.025760742336  -0.023790755874  -0.173848959546  -0.002643297804  -0.001304539980  -0.001074063906
  4  Al  0.008617977445  7.999625943478  4.090379632042  0.113521294019  0.032512098054  -0.240754194255  0.000914350423  -0.003132519136  0.006020411115
  5  Al  0.006473498155  2.008035931876  6.054915848730  -0.009474897750  -0.039197036428  -0.091326079902  0.000548453037  -0.000125897659  0.002290695703
  6  Al  1.995434216808  8.029016821325  6.017142956709  -0.057074595728  0.181034037672  0.056720076181  -0.001263630206  -0.000327618597  -0.000849011402
  7  Al  2.005187217023  2.018582734764  4.046846266251  -0.036542383446  -0.076839097544  0.033250500851  -0.000362467062  0.000743097709  0.002558023255
  8  Al  8.015484319746  4.061322796254  7.974482637085  0.009222818296  -0.128412244504  0.142701470997  -0.001731696243  0.003647581902  -0.005291904841
  9  Al  0.014506078678  6.020774060485  2.004965437220  0.002463596475  -0.010185896144  0.086555209651  0.001286137570  -0.000534747554  -0.000247381207
  10  Al  2.036508023461  3.967313945444  2.002431983103  -0.089162008826  0.335105627063  0.144805136826  0.002332310728  -0.003973698434  -0.000402065001
  11  Al  2.019376098635  6.042124210321  0.052594411907  -0.108980339158  0.004792763357  0.085027756925  0.000777392515  0.001371160026  0.004765918368
  12  Al  8.010162530698  4.034708265000  3.979017197355  0.196250243692  -0.001869048672  0.162384117769  -0.001946965202  0.001501112313  -0.003231774250
  13  Al  0.004090022936  6.010187442684  5.985294659811  -0.010540004575  0.017699673880  0.103706032921  0.000353822257  -0.001428813569  -0.003581693980
  14  Al  2.000426736431  3.999227467168  6.045769087718  -0.091421461940  -0.118966436077  -0.111291919535  -0.000871809871  -0.001809641795  0.001455037599
  15  Al  2.052785550797  6.033308350289  3.971198441002  -0.218758100502  -0.078681433219  -0.004650365907  0.003574930690  0.000472472287  -0.004183099931
  16  Al  4.070657570987  0.056912025453  8.035213991266  -0.040666866658  -0.035822327414  0.150582078189  0.004613403437  0.004974670633  0.000075226813
  17  Al  3.955368418472  1.959814128280  2.001488778375  0.240229839478  0.099789179361  -0.012776626541  -0.005150585192  -0.004185535671  -0.000699708343
  18  Al  6.067739018035  7.987644933261  1.952821137168  -0.216281121468  0.010259692696  0.120754678984  0.003336910742  -0.004232355164  -0.004815916984
  19  Al  6.043674797513  2.063319452366  7.967916340144  -0.166070872155  -0.207778090108  0.057707903536  0.001280447623  0.004518625579  -0.006009713854
  20  Al  4.033689380533  0.059224634780  4.023801550608  -0.083866408808  -0.215629037546  -0.043387144930  0.001298992967  0.004920566504  0.000418156350
  21  Al  4.030078623776  1.992188047157  6.039846182752  0.025501929733  0.087237465668  0.110578149931  0.001134849476  -0.001360073746  0.001240338679
  22  Al  6.027105472559  0.005374684377  6.034350934323  0.018271609736  0.187064192226  0.063238830584  0.000089603722  0.000742979267  0.000690098531
  23  Al  6.069611232320  2.017587649203  4.003550613196  -0.144667262814  -0.015404800021  0.202973596822  0.003600801391  0.000743402276  -0.001009583472
  24  Al  4.028730320054  4.011623629243  0.060688718445  0.073884256322  -0.064254087434  -0.211062767880  0.001085632276  -0.000633961733  0.005064264489
  25  Al  3.997625755033  6.081142026844  2.060724768784  0.070599259649  -0.113302844343  -0.129719282804  -0.001681045049  0.004626765547  0.004367639645
  26  Al  5.997644673176  4.059236778518  1.971513932788  0.011942181517  0.021010798725  0.099954618190  -0.002532324603  0.003691191578  -0.003196136669
  27  Al  6.004529143559  6.051002173715  0.049602461392  0.026056743674  -0.108692069292  -0.134588944539  -0.001884921112  0.001990254005  0.004206557250
  28  Al  4.029194787866  4.040861122674  4.059061556356  -0.030303599585  -0.012487411904  -0.190261671614  0.000974930268  0.002006779269  0.003307205194
  29  Al  3.970784881452  6.042222766737  6.099398801216  0.266539567366  -0.046815285473  -0.178222489489  -0.003748970920  0.001298364295  0.006066604385
  30  Al  6.039576731005  3.967877650889  6.037983125465  -0.021227738583  0.093040469839  0.000375655359  0.001134076677  -0.004295385571  0.000947972699
  31  Al  6.072118515773  6.006409339368  4.013242669487  -0.125547866876  0.074925626545  -0.128849611385  0.003855174587  -0.001694548012  -0.000632608362


MDSTEP:  24
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.029789959675  0.000000000000  0.000000000000
  0.000000000000  8.030234066997  0.000000000000
  0.000000000000  0.000000000000  8.031456551363
VIRIAL (kbar)
  -62.701305449141  -0.124271354440  0.029558780870
  -0.124271354440  -62.843226929664  -0.619318376441
  0.029558780870  -0.619318376441  -60.024506181889
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.978147067478  8.014983417979  8.006536458274  0.176515913086  0.016531740735  -0.110931664366  -0.004117268443  -0.001266255376  -0.002262226500
  1  Al  8.005998829964  1.972405422891  1.960283976057  0.147090901002  0.100311455994  0.018280478541  -0.001792834672  -0.002830817724  -0.003993453347
  2  Al  1.977857979599  7.981307209525  1.982141846089  0.061488496841  0.053702002952  0.123259616838  -0.002402836530  -0.004089459874  -0.001994166935
  3  Al  1.975603385736  1.992426219668  8.021562817352  0.029561542103  -0.024171099766  -0.180188477752  -0.002640242315  -0.001309757268  -0.001106472194
  4  Al  0.009074385451  7.992667960965  4.090687920874  0.116217148457  0.036698522162  -0.253952338924  0.000935550714  -0.003128557925  0.005980354157
  5  Al  0.006742913371  2.006617462888  6.052073381752  -0.011436676817  -0.040472714968  -0.095951842479  0.000546975467  -0.000133112171  0.002275539648
  6  Al  1.993445748196  8.023448136502  6.012762075398  -0.054653463454  0.188167871523  0.061785339858  -0.001274526689  -0.000294833523  -0.000839003573
  7  Al  2.003643637269  2.017589978911  4.045464215932  -0.035850157838  -0.079469174972  0.033915061612  -0.000369200672  0.000729647504  0.002565807995
  8  Al  8.009179600303  4.060402840079  7.966596304255  0.007797197392  -0.135311070066  0.150622536798  -0.001731413657  0.003626591606  -0.005269351207
  9  Al  0.015139425431  6.016447171686  2.003526470655  -0.001202730569  -0.011763936116  0.088659400125  0.001287170940  -0.000537090953  -0.000231883656
  10  Al  2.036288251558  3.962667370660  2.000919942990  -0.093044516192  0.347113855428  0.150900353432  0.002317685215  -0.003915513555  -0.000375899428
  11  Al  2.018389593625  6.038736568133  0.054946609846  -0.110327091362  0.002461289324  0.082161499678  0.000758336020  0.001372784162  0.004784182988
  12  Al  8.003762143389  4.032738651989  3.974790593502  0.203778680818  -0.005738124298  0.170029946020  -0.001912583722  0.001501499837  -0.003204292766
  13  Al  0.004263690822  6.005421896076  5.979570466234  -0.014433961081  0.017150938464  0.111064402463  0.000351842066  -0.001426713251  -0.003564976641
  14  Al  1.998629258860  3.995621134970  6.042513909950  -0.090354322460  -0.122682079304  -0.115964226155  -0.000888690350  -0.001832540006  0.001435725405
  15  Al  2.053170263335  6.029473569525  3.966493846028  -0.226981422583  -0.082970866978  0.001884109839  0.003537626539  0.000458351646  -0.004186255020
  16  Al  4.070200169295  0.059359436409  8.029971667545  -0.041584988420  -0.039362415268  0.155140934920  0.004609349790  0.004971485595  0.000102620026
  17  Al  3.950119720496  1.956404524029  1.999821492937  0.255039839663  0.106250193536  -0.013512652271  -0.005109979337  -0.004170086795  -0.000702545775
  18  Al  6.065280301686  7.980144105741  1.949133697261  -0.228587587970  0.016916319776  0.129050653217  0.003299514096  -0.004232935541  -0.004796924379
  19  Al  6.040206404477  2.064178483279  7.959671618593  -0.175149985465  -0.218984831844  0.066402076913  0.001250848336  0.004483674104  -0.006002792046
  20  Al  4.031597899701  0.061635399493  4.021361284906  -0.085474315230  -0.225367125378  -0.043741920674  0.001284778417  0.004884628062  0.000410655029
  21  Al  4.027912407022  1.990168812877  6.036497464731  0.027973770688  0.093664134740  0.115048629810  0.001140444195  -0.001344863029  0.001261378733
  22  Al  6.023061127907  0.005750916138  6.030728591424  0.015046056481  0.193575140672  0.066101681504  0.000092647502  0.000777548790  0.000702145193
  23  Al  6.067286393234  2.016598461664  4.000420797126  -0.154765365405  -0.015312163353  0.210123047182  0.003576600172  0.000741184057  -0.000973341856
  24  Al  4.026542571146  4.008599235328  0.063171535813  0.078400458009  -0.068119097472  -0.225153621593  0.001100028383  -0.000646250992  0.005028773702
  25  Al  3.994075603047  6.079350634984  2.061547004045  0.079580195742  -0.119199092689  -0.138831517621  -0.001668817586  0.004609263971  0.004346659024
  26  Al  5.992309049765  4.058346710821  1.968623169557  0.012670827002  0.016588183634  0.106290809291  -0.002531936050  0.003697179888  -0.003179913721
  27  Al  5.999513186685  6.047913027797  0.051667128669  0.023793811645  -0.115862987186  -0.147205142195  -0.001881812126  0.001971587601  0.004184280308
  28  Al  4.026946716188  4.039139725138  4.058036079264  -0.028811273867  -0.014477435714  -0.195824791708  0.000970341397  0.002005795330  0.003274976200
  29  Al  3.966227717394  6.038796353498  6.098411172788  0.280472793280  -0.050296091187  -0.184952922656  -0.003702734384  0.001290603132  0.006038342413
  30  Al  6.036044404339  3.963059033012  6.034484523192  -0.026721662862  0.101939789244  -0.002890881607  0.001130600265  -0.004281003868  0.000948406704
  31  Al  6.069920018496  6.001516027354  4.010280140120  -0.136048110632  0.078488868377  -0.131618578043  0.003834539227  -0.001682033431  -0.000656341859


MDSTEP:  25
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.024157224636  0.000000000000  0.000000000000
  0.000000000000  8.024637815299  0.000000000000
  0.000000000000  0.000000000000  8.026001040217
VIRIAL (kbar)
  -60.933028125443  -0.133911032249  0.033518953926
  -0.133911032249  -61.089301907746  -0.670245135750
  0.033518953926  -0.670245135750  -58.041899928379
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.970499771916  8.008765393085  7.999961782304  0.188230490066  0.016875431496  -0.114092186389  -0.004087701667  -0.001264200949  -0.002283978070
  1  Al  7.999492921694  1.969619903917  1.956956469163  0.155306679656  0.104877538072  0.022247065576  -0.001767120091  -0.002814553571  -0.003992701648
  2  Al  1.975271858120  7.973702684625  1.979803845494  0.061072735470  0.061738151286  0.130336144430  -0.002393657535  -0.004082149802  -0.001972922024
  3  Al  1.972898713978  1.990381730930  8.015552728185  0.027882790163  -0.026501538076  -0.184084933929  -0.002637062945  -0.001315254348  -0.001139845650
  4  Al  0.009540997482  7.985535219349  4.090888135325  0.122139024226  0.040355553829  -0.269151754511  0.000957561300  -0.003123972605  0.005937874235
  5  Al  0.007011165388  2.005150689912  6.049095906655  -0.009072896423  -0.043836915058  -0.103514964178  0.000545546885  -0.000140750276  0.002259337977
  6  Al  1.991407668460  8.017717602370  6.008261049611  -0.056824746400  0.193744631838  0.064783630378  -0.001285441654  -0.000260895528  -0.000828287873
  7  Al  2.002051915969  2.016545204949  4.044000706198  -0.040475644558  -0.083625153974  0.032239320542  -0.000376300476  0.000715599374  0.002573570023
  8  Al  8.002695947700  4.059380439597  7.958556854063  0.011544681286  -0.140501685865  0.160693368580  -0.001730967891  0.003604597910  -0.005245300343
  9  Al  0.015772349717  6.011985247078  2.002053556913  -0.000754262782  -0.011742018291  0.092437268251  0.001287950494  -0.000539588988  -0.000215854726
  10  Al  2.036014544214  3.957963512334  1.999379571691  -0.102292202143  0.360601370144  0.159511960023  0.002301934581  -0.003855106792  -0.000348409211
  11  Al  2.017347979760  6.035214701930  0.057305095892  -0.116511524221  0.001642309224  0.081080426733  0.000738611673  0.001374162920  0.004802223510
  12  Al  7.997200461451  4.030678753842  3.970496065631  0.216032647840  -0.009166471611  0.175704679097  -0.001876457349  0.001501273515  -0.003175678261
  13  Al  0.004435979429  6.000524127161  5.973731175319  -0.014354157851  0.018895054424  0.116726392695  0.000349528402  -0.001424541088  -0.003547169487
  14  Al  1.996778869675  3.991914825950  6.039122118738  -0.094451761401  -0.124638759338  -0.123274966031  -0.000905877069  -0.001856009076  0.001415362702
  15  Al  2.053488711335  6.025497116048  3.961706449658  -0.239681872450  -0.085949312738  0.007042153105  0.003498515220  0.000443582548  -0.004188468164
  16  Al  4.069647867994  0.061802101389  8.024575408435  -0.046446674244  -0.045753932276  0.161330153018  0.004604895220  0.004967537517  0.000130996317
  17  Al  3.944805148170  1.952960773807  1.998111194713  0.265036298655  0.110712721967  -0.011397687574  -0.005067257241  -0.004153756738  -0.000705278928
  18  Al  6.062665205432  7.972467008438  1.945416970744  -0.236122194215  0.022227750888  0.140494313997  0.003260400899  -0.004232554543  -0.004776269304
  19  Al  6.036586931987  2.064972057700  7.951266381196  -0.178893825485  -0.232899950870  0.077097401115  0.001220112966  0.004446565575  -0.005994276859
  20  Al  4.029408397836  0.064024737299  4.018833079948  -0.090871225049  -0.237030539082  -0.045704821701  0.001269960202  0.004846874853  0.000402951086
  21  Al  4.025658391245  1.988113609454  6.033032907943  0.026309062329  0.097647465352  0.116500942103  0.001146144601  -0.001328744790  0.001282993936
  22  Al  6.018883069476  0.006144340043  6.026986143852  0.016589603504  0.198036093187  0.066380965859  0.000095545464  0.000813144528  0.000714498405
  23  Al  6.064811734159  2.015563013873  3.997226148241  -0.159390527312  -0.017592227486  0.215485394280  0.003551156867  0.000738787608  -0.000935979258
  24  Al  4.024271561245  4.005479476077  0.065633000465  0.078240512995  -0.069573215254  -0.237126338297  0.001114852956  -0.000659041422  0.004991048840
  25  Al  3.990442970781  6.077413300136  2.062313829522  0.084464831802  -0.123320035087  -0.146167018484  -0.001655384241  0.004590972045  0.004324298011
  26  Al  5.986840139774  4.057367825556  1.965700708562  0.018479237570  0.013683774781  0.115722478385  -0.002531027921  0.003702612060  -0.003162346258
  27  Al  5.994364788463  6.044678886894  0.053717636045  0.026060198561  -0.120476165852  -0.158460586962  -0.001878749121  0.001951904353  0.004159954189
  28  Al  4.024605787384  4.037327128256  4.056908355087  -0.031963892352  -0.014764477091  -0.203656721182  0.000965625735  0.002004658464  0.003241605880
  29  Al  3.961606618287  6.035230996899  6.097279683048  0.290114792896  -0.051177689824  -0.193878389601  -0.003654451306  0.001282479300  0.006008806730
  30  Al  6.032374358565  3.958161197642  6.030859574600  -0.027257665766  0.112671594330  -0.009147824071  0.001126611220  -0.004264965861  0.000948012312
  31  Al  6.067573320391  5.996496058676  4.007222026652  -0.142138514369  0.084840646953  -0.136155865257  0.003812504030  -0.001668666193  -0.000680761464


MDSTEP:  26
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.018350820544  0.000000000000  0.000000000000
  0.000000000000  8.018869097199  0.000000000000
  0.000000000000  0.000000000000  8.020384659466
VIRIAL (kbar)
  -59.089089136975  -0.142251381019  0.038608349225
  -0.142251381019  -59.264156897000  -0.721506255961
  0.038608349225  -0.721506255961  -55.982920085609
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.962696712167  8.002376725574  7.993216511987  0.197469226484  0.017826907800  -0.117661161888  -0.004056341822  -0.001262060856  -0.002306401292
  1  Al  7.992827726090  1.966801371717  1.953591644681  0.160450033603  0.111345522365  0.023706197392  -0.001740235957  -0.002797361000  -0.003991558408
  2  Al  1.972648395906  7.965932223421  1.977437773929  0.063286275098  0.070894591434  0.135229199320  -0.002384371244  -0.004073399036  -0.001950637679
  3  Al  1.970153780702  1.988292068443  8.009365498424  0.029538330569  -0.026972655086  -0.188558960205  -0.002633949805  -0.001321039088  -0.001174019006
  4  Al  0.010018341781  7.978234395244  4.090982414049  0.125727140099  0.044357517512  -0.284039538445  0.000980463166  -0.003118777225  0.005892812637
  5  Al  0.007278465770  2.003636900155  6.045987978494  -0.009513132070  -0.045028504907  -0.108614778978  0.000544303024  -0.000148805077  0.002242045312
  6  Al  1.989321381649  8.011832065738  6.003645371458  -0.055519756475  0.199184825221  0.070374867486  -0.001296474768  -0.000225953353  -0.000816815705
  7  Al  2.000413237497  2.015449629899  4.042459075372  -0.041900071221  -0.085957970169  0.031135554838  -0.000383956198  0.000700978346  0.002581149894
  8  Al  7.996040087033  4.058258307884  7.950372144054  0.012111253731  -0.146347375268  0.170151426253  -0.001730179652  0.003581691115  -0.005219609186
  9  Al  0.016404891686  6.007393051403  2.000548774244  -0.003111235943  -0.013512538052  0.093938528649  0.001288592455  -0.000542258812  -0.000199347045
  10  Al  2.035687673367  3.953206747094  1.997813378734  -0.108548633818  0.373261018040  0.165676312364  0.002284843573  -0.003792413004  -0.000319585666
  11  Al  2.016252303069  6.031563301295  0.059669780559  -0.119362434389  -0.001190729846  0.077932399979  0.000718083026  0.001375250563  0.004820012357
  12  Al  7.990484968374  4.028531439292  3.966137597405  0.225390231959  -0.013030999149  0.182335144124  -0.001838418285  0.001500432449  -0.003146017309
  13  Al  0.004606895968  5.995499054228  5.967782511867  -0.016961002310  0.018231362584  0.124821305176  0.000346995812  -0.001422306398  -0.003528202726
  14  Al  1.994876801157  3.988111541545  6.035598290500  -0.094885494111  -0.126407560662  -0.128189769111  -0.000923504851  -0.001879875468  0.001393925157
  15  Al  2.053741359765  6.021383487275  3.956840190055  -0.249629355939  -0.090651618107  0.013986455171  0.003457437207  0.000428126588  -0.004189699448
  16  Al  4.069003428570  0.064239449887  8.019032733715  -0.049256157585  -0.051686622667  0.166445119876  0.004599867445  0.004962608865  0.000160407410
  17  Al  3.939428787087  1.949484862528  1.996359813796  0.278304449385  0.117429595343  -0.011713256138  -0.005022550168  -0.004136518801  -0.000707869802
  18  Al  6.059897851227  7.964620466115  1.941673712988  -0.246521367812  0.028970331763  0.149850919103  0.003219736601  -0.004231201377  -0.004753851647
  19  Al  6.032820840170  2.065700521950  7.942708541331  -0.185622168188  -0.244735575539  0.088189402208  0.001188448642  0.004407237772  -0.005983948440
  20  Al  4.027123588701  0.066391608476  4.016220245609  -0.093812915785  -0.248230371430  -0.046704966298  0.001254417110  0.004807170164  0.000394986029
  21  Al  4.023319622592  1.986024379523  6.029457869143  0.027161630913  0.104263210449  0.120327871824  0.001151805599  -0.001311699881  0.001305127364
  22  Al  6.014576227750  0.006555352798  6.023128843113  0.014887486030  0.202568291538  0.069011795908  0.000098433842  0.000849591629  0.000727137774
  23  Al  6.062191636371  2.014482689844  3.993970625629  -0.167463935544  -0.017528689457  0.221166655307  0.003524648313  0.000736209660  -0.000897623777
  24  Al  4.021920470449  4.002267397310  0.068072053388  0.080792387125  -0.071681463418  -0.250810234703  0.001129930764  -0.000672176563  0.004951119669
  25  Al  3.986731489276  6.075334418568  2.063026340633  0.092516409893  -0.129451310344  -0.156102116907  -0.001640825610  0.004571864656  0.004300478166
  26  Al  5.981243254935  4.056303038324  1.962749128376  0.021597072192  0.009350308104  0.122813816246  -0.002529384676  0.003707493855  -0.003143362901
  27  Al  5.989088943673  6.041304102786  0.055752986058  0.025302240684  -0.127763879779  -0.171568095337  -0.001875596316  0.001931190966  0.004133529635
  28  Al  4.022174915243  4.035426481979  4.055681176007  -0.032071237271  -0.015725383933  -0.209944843058  0.000960639336  0.002003459414  0.003207024883
  29  Al  3.956925637816  6.031531381590  6.096008773166  0.302439691362  -0.054534695983  -0.200539951934  -0.003604259459  0.001274002469  0.005977997298
  30  Al  6.028571338803  3.953188278059  6.027112947818  -0.031224716618  0.123924044050  -0.013423790476  0.001122244875  -0.004247056669  0.000946698025
  31  Al  6.065082671485  5.991354762990  4.004071408034  -0.151570244046  0.088830417596  -0.139221507744  0.003789160230  -0.001654405904  -0.000705894943


MDSTEP:  27
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.012377377808  0.000000000000  0.000000000000
  0.000000000000  8.012934489094  0.000000000000
  0.000000000000  0.000000000000  8.014614609461
VIRIAL (kbar)
  -57.174027691723  -0.151478218380  0.043276524953
  -0.151478218380  -57.365955912766  -0.774140975434
  0.043276524953  -0.774140975434  -53.845252629214
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.954745336854  7.995824075002  7.986307523108  0.209017615681  0.018575643032  -0.121062390414  -0.004023198446  -0.001259797968  -0.002329517717
  1  Al  7.986010329045  1.963952043614  1.950191420623  0.167385657565  0.115735640592  0.026269511139  -0.001712293495  -0.002779252562  -0.003990146141
  2  Al  1.969989444311  7.958003215035  1.975045861120  0.063121741983  0.080989726077  0.140768345756  -0.002374953243  -0.004063019537  -0.001927448285
  3  Al  1.967370387460  1.986158832675  8.003007927584  0.028658304669  -0.029853681580  -0.192318131224  -0.002630829813  -0.001327160469  -0.001208981404
  4  Al  0.010506738945  7.970772418211  4.090973047902  0.130546845050  0.048715600394  -0.299733979208  0.001004158998  -0.003112906555  0.005845117161
  5  Al  0.007544776117  2.002077631457  6.042754549806  -0.007906802283  -0.048467212199  -0.114724782438  0.000543175900  -0.000157283868  0.002223788505
  6  Al  1.987188661096  8.005798586564  5.998920937789  -0.056350743440  0.204092932568  0.075640888111  -0.001307506047  -0.000190064161  -0.000804382619
  7  Al  1.998729132008  2.014304691304  4.040842832332  -0.045902621296  -0.090292179065  0.029445507243  -0.000392112711  0.000685766908  0.002588544842
  8  Al  7.989218696918  4.057039217160  7.942050201980  0.014705839168  -0.151936240067  0.180494844782  -0.001729150733  0.003557831689  -0.005192247482
  9  Al  0.017036842300  6.002675358035  1.999014054970  -0.003966933049  -0.013269636993  0.095925553831  0.001288979359  -0.000545080610  -0.000182519512
  10  Al  2.035308741460  3.948401485175  1.996223712195  -0.117789219911  0.385762177150  0.172638530183  0.002266409602  -0.003727513337  -0.000289573750
  11  Al  2.015103968762  6.027787046962  0.062040395763  -0.124640520435  -0.001894582691  0.074308496699  0.000696829071  0.001376056422  0.004837319571
  12  Al  7.983623126065  4.026299652944  3.961719369521  0.237136114431  -0.017277897580  0.188549082226  -0.001798507519  0.001498902051  -0.003115257435
  13  Al  0.004776207926  5.990351548038  5.961730587434  -0.017877978554  0.020144308201  0.132654816832  0.000344154650  -0.001419993097  -0.003507878066
  14  Al  1.992924672176  3.984214410944  6.031947392038  -0.097563064882  -0.127823542401  -0.134277061230  -0.000941447393  -0.001904091227  0.001371519462
  15  Al  2.053928984555  6.017137196727  3.951899275641  -0.262005294537  -0.093388760073  0.021580632275  0.003414415930  0.000412003806  -0.004189727556
  16  Al  4.068269921901  0.066670958603  8.013351299198  -0.054117958307  -0.058491791691  0.171713492962  0.004594263068  0.004956658777  0.000190772993
  17  Al  3.933995128515  1.945979027834  1.994569120126  0.289708129792  0.121839690465  -0.011010995541  -0.004975725555  -0.004118373725  -0.000710444288
  18  Al  6.056982289539  7.956611652273  1.937906544315  -0.254401260994  0.036329612023  0.160785696953  0.003177485207  -0.004228689635  -0.004729711412
  19  Al  6.028912504273  2.066364470634  7.934006271997  -0.189462339288  -0.259239576572  0.100522488478  0.001155843749  0.004365631820  -0.005971654528
  20  Al  4.024746527361  0.068735021128  4.013526294525  -0.098351781799  -0.260023182727  -0.047872566722  0.001238223808  0.004765496167  0.000386830155
  21  Al  4.020899493686  1.983903355761  6.025778092994  0.025661498014  0.108520724457  0.122975938598  0.001157441488  -0.001293701466  0.001327886516
  22  Al  6.010145423204  0.006984358117  6.019162325891  0.015558276571  0.206077188534  0.070549251163  0.000101234661  0.000886806920  0.000740176146
  23  Al  6.059430357707  2.013359140550  3.990658331362  -0.172807598630  -0.020164718541  0.225979702420  0.003497006040  0.000733417683  -0.000858321408
  24  Al  4.019492842589  3.998966098688  0.070487489551  0.081302365730  -0.073245223127  -0.264380749096  0.001145322012  -0.000685666747  0.004908836505
  25  Al  3.982945190525  6.073118382229  2.063685464378  0.099141381734  -0.133342998112  -0.165696336501  -0.001624983490  0.004551958081  0.004274992438
  26  Al  5.975523643311  4.055155254505  1.959770852046  0.027614380517  0.004782258794  0.130785682042  -0.002526985506  0.003711674161  -0.003123090182
  27  Al  5.983690554371  6.037792960289  0.057772021394  0.026932574357  -0.132898189155  -0.185123594292  -0.001872409271  0.001909397896  0.004104795411
  28  Al  4.019657407115  4.033440991526  4.054357592930  -0.034463993224  -0.016538526279  -0.216425930141  0.000955449137  0.002002149858  0.003171349378
  29  Al  3.952189184429  6.027702142114  6.094603269091  0.312857937948  -0.055391732086  -0.208115530103  -0.003552083328  0.001265173406  0.005946028493
  30  Al  6.024639964971  3.948144561684  6.023249663433  -0.032856409780  0.136126026586  -0.018681891563  0.001117402071  -0.004227140025  0.000944551801
  31  Al  6.062452208212  5.986097426114  4.000831610192  -0.158884142800  0.095848142065  -0.142164523218  0.003764394009  -0.001639190655  -0.000731600955


MDSTEP:  28
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.006243748471  0.000000000000  0.000000000000
  0.000000000000  8.006840794241  0.000000000000
  0.000000000000  0.000000000000  8.008698324590
VIRIAL (kbar)
  -55.185239709935  -0.159849385413  0.049094971659
  -0.159849385413  -55.398285488552  -0.826903526282
  0.049094971659  -0.826903526282  -51.631349179415
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.946653517203  7.989114308008  7.979241937503  0.217030772323  0.019777477573  -0.124154959821  -0.003988375686  -0.001257388935  -0.002353284734
  1  Al  7.979048195820  1.961074004114  1.946757866704  0.171078396990  0.124328096031  0.029186248710  -0.001683419200  -0.002760034988  -0.003988331497
  2  Al  1.967296694329  7.949923354060  1.972630450174  0.066952880031  0.091909343954  0.147150599285  -0.002365256862  -0.004050849398  -0.001903217594
  3  Al  1.964550161103  1.983983463709  7.996487111821  0.032414993442  -0.028522125750  -0.195837324591  -0.002627513303  -0.001333457038  -0.001244648822
  4  Al  0.011006620717  7.963156472445  4.090862381162  0.132905506716  0.053849525755  -0.315524732899  0.001028540022  -0.003106256679  0.005794698879
  5  Al  0.007810241711  2.000474277363  6.039400661587  -0.009586987159  -0.048096053373  -0.121501387067  0.000542054328  -0.000166047538  0.002204414507
  6  Al  1.985011143038  7.999624403456  5.994093790695  -0.052303736655  0.209190840218  0.080145370924  -0.001318290007  -0.000153255957  -0.000791083958
  7  Al  1.997000954155  2.013111705546  4.039155554046  -0.045456553459  -0.091142106283  0.027450382697  -0.000400603284  0.000670096067  0.002595673580
  8  Al  7.982238856681  4.055726080877  7.933599361357  0.014252080851  -0.158248134072  0.190767186519  -0.001727971104  0.003532973897  -0.005163136341
  9  Al  0.017668128384  5.997837289809  1.997451432920  -0.007866995784  -0.016792165426  0.098156292083  0.001288972236  -0.000548211005  -0.000165305753
  10  Al  2.034878642649  3.943552230568  1.994613049295  -0.122697588571  0.397366689225  0.180037065873  0.002246749898  -0.003660495031  -0.000258260612
  11  Al  2.013904221592  6.023890981906  0.064416637341  -0.125276662583  -0.006853410579  0.069655123006  0.000675045851  0.001376389369  0.004854007646
  12  Al  7.976622828855  4.023986420568  3.957245637842  0.245243171943  -0.022465642807  0.194652617517  -0.001756832370  0.001496562464  -0.003083441400
  13  Al  0.004943834327  5.985086877983  5.955581660709  -0.022012115988  0.017810851229  0.140452403810  0.000340867732  -0.001417749498  -0.003486217743
  14  Al  1.990923955403  3.980226706123  6.028174462972  -0.095241718358  -0.128992631099  -0.140159542234  -0.000959458852  -0.001928603034  0.001348056377
  15  Al  2.054052204786  6.012763104451  3.946888084216  -0.270018514422  -0.099601376931  0.029888807405  0.003369618672  0.000395077569  -0.004188426737
  16  Al  4.067450352174  0.069096032666  8.007539008401  -0.055811927585  -0.064865892742  0.176357342877  0.004588178350  0.004949643715  0.000222052914
  17  Al  3.928508600965  1.942445352359  1.992741032196  0.304687640795  0.130602575302  -0.009927492723  -0.004926623372  -0.004099134463  -0.000712876881
  18  Al  6.053922966821  7.948448016959  1.934118277901  -0.266633812713  0.044871182269  0.171743862799  0.003133477501  -0.004224854860  -0.004703699723
  19  Al  6.024866725819  2.066964322562  7.925168082874  -0.197857718478  -0.270447006210  0.113689389607  0.001122146157  0.004321797473  -0.005957203421
  20  Al  4.022280238678  0.071053936922  4.010754842000  -0.100154067612  -0.270905857339  -0.048334608758  0.001221480145  0.004721874801  0.000378530809
  21  Al  4.018401299065  1.981752614887  6.021999395892  0.027450073135  0.116885877991  0.125073527957  0.001163135537  -0.001274590683  0.001351117340
  22  Al  6.005595854772  0.007431668962  6.015092307536  0.011355013556  0.209997704190  0.071957239395  0.000103724236  0.000924737581  0.000753504552
  23  Al  6.056532571062  2.012193833314  3.987293405315  -0.183011445198  -0.018441410514  0.230831548810  0.003468035148  0.000730559377  -0.000818143230
  24  Al  4.016992151075  3.995578841242  0.072878121233  0.084503700786  -0.075434854507  -0.278845075396  0.001161085095  -0.000699519780  0.004864122479
  25  Al  3.979088087568  6.070769959516  2.064292222869  0.109321745717  -0.141216868845  -0.175114215677  -0.001607664720  0.004531092151  0.004247881735
  26  Al  5.969686975144  4.053927476648  1.956768435357  0.029684293459  -0.001217694962  0.139840362173  -0.002523921890  0.003715001367  -0.003101348473
  27  Al  5.978174899896  6.034150109554  0.059773550596  0.024078584920  -0.141888884697  -0.199816540045  -0.001869374131  0.001886369782  0.004073603850
  28  Al  4.017056478142  4.031373991354  4.052940761277  -0.033181151913  -0.018198595328  -0.222540984752  0.000950178478  0.002000665919  0.003134590219
  29  Al  3.947401601811  6.023748308375  6.093068099123  0.326592653194  -0.060445676930  -0.215811186908  -0.003497790551  0.001255838881  0.005912801438
  30  Al  6.020585233469  3.943034528635  6.019274831046  -0.039345816465  0.148904423772  -0.025054308073  0.001111855930  -0.004205074379  0.000941384766
  31  Al  6.059686427656  5.980729772444  3.997506086291  -0.171094694915  0.098281800887  -0.144413012506  0.003737952229  -0.001623157145  -0.000757807530


MDSTEP:  29
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.999957009089  0.000000000000  0.000000000000
  0.000000000000  8.000595026825  0.000000000000
  0.000000000000  0.000000000000  8.002643460227
VIRIAL (kbar)
  -53.126247997217  -0.169546744056  0.055161552210
  -0.169546744056  -53.357432599964  -0.882562571707
  0.055161552210  -0.882562571707  -49.341246205615
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.938429027217  7.982254540995  7.972027122504  0.228978013836  0.020686129187  -0.126968063629  -0.003951832358  -0.001254818449  -0.002377649661
  1  Al  7.971948723713  1.958169762345  1.943293133858  0.178283917503  0.129827479733  0.032802903224  -0.001653585750  -0.002739605564  -0.003986017086
  2  Al  1.964572247010  7.941700614350  1.970194011915  0.066281486969  0.103885153365  0.153497278124  -0.002355325273  -0.004036715900  -0.001877870162
  3  Al  1.961695195569  1.981767829274  7.989810388338  0.031341651077  -0.030256751242  -0.198492167611  -0.002624015615  -0.001339825887  -0.001280923756
  4  Al  0.011518199951  7.955394018306  4.090652868586  0.137755462351  0.059445332183  -0.332053812948  0.001053610029  -0.003098714043  0.005741474721
  5  Al  0.008074714765  1.998828624616  6.035931464250  -0.007564021363  -0.050792925701  -0.128924124257  0.000540975184  -0.000175030285  0.002183802637
  6  Al  1.982790954296  7.993316982338  5.989170068705  -0.052485616675  0.213615905191  0.084908621204  -0.001328768087  -0.000115569356  -0.000776962865
  7  Al  1.995230511968  2.011872354268  4.037400904274  -0.049877534176  -0.094644350139  0.024779111973  -0.000409465769  0.000654038703  0.002602446642
  8  Al  7.975107595311  4.054321858194  7.925028162821  0.017850697752  -0.164164040154  0.201903073052  -0.001726549714  0.003507084330  -0.005132198616
  9  Al  0.018298406309  5.992883790435  1.995863018553  -0.008723459278  -0.017398407188  0.100191699240  0.001288569896  -0.000551726004  -0.000147700260
  10  Al  2.034398717703  3.938663507088  1.992983960861  -0.132583376659  0.408865135290  0.187525335950  0.002225803421  -0.003591440620  -0.000225596613
  11  Al  2.012654778565  6.019879928691  0.066798115730  -0.130313320220  -0.009154020284  0.064534106711  0.000652753066  0.001376105385  0.004869939543
  12  Al  7.969491867510  4.021594791243  3.952720754208  0.257436106953  -0.027928531937  0.200654005925  -0.001713348333  0.001493303250  -0.003050583822
  13  Al  0.005109407059  5.979710090138  5.949342147821  -0.022602805027  0.018751426060  0.148360288170  0.000337163506  -0.001415661645  -0.003463210658
  14  Al  1.988876625457  3.976151824329  6.024284729083  -0.097569961550  -0.129574684515  -0.146723211617  -0.000977508307  -0.001953336525  0.001323490485
  15  Al  2.054112090658  6.008265918663  3.941811162048  -0.282717095644  -0.103344742933  0.039005459602  0.003323010896  0.000377256187  -0.004185656793
  16  Al  4.066548125246  0.071514122274  8.001603930014  -0.061232026750  -0.072739356534  0.181002052526  0.004581559827  0.004941463900  0.000254193343
  17  Al  3.922974057785  1.938886355050  1.990877556857  0.315822194961  0.136373152472  -0.008131204184  -0.004875260423  -0.004078675021  -0.000715069234
  18  Al  6.050724113433  7.940137321317  1.930311777436  -0.273970870758  0.053936550068  0.184110353557  0.003087756552  -0.004219540616  -0.004675682623
  19  Al  6.020688069333  2.067500850063  7.916202770718  -0.201050230292  -0.284993292240  0.127966481382  0.001087410591  0.004275724407  -0.005940414753
  20  Al  4.019728106226  0.073347405504  4.007909677527  -0.104892795187  -0.282481395745  -0.049010302597  0.001204166238  0.004676318946  0.000370131239
  21  Al  4.015828741024  1.979574651732  6.018127712438  0.025394415473  0.122136171228  0.126443830676  0.001168837659  -0.001254276152  0.001374706012
  22  Al  6.000932454126  0.007897635904  6.010924658499  0.011718171611  0.212771909573  0.072717572816  0.000105874853  0.000963319717  0.000767053781
  23  Al  6.053502688156  2.010988678900  3.983880099771  -0.188136480968  -0.020217309741  0.234712888408  0.003437750567  0.000727711031  -0.000777169533
  24  Al  4.014422223566  3.992108934736  0.075242688040  0.083891813025  -0.076738036716  -0.293064900250  0.001177120011  -0.000713712879  0.004816912227
  25  Al  3.975164621256  6.068293727164  2.064847715443  0.116446094105  -0.146210430171  -0.184878073091  -0.001588821607  0.004509163766  0.004219125437
  26  Al  5.963738732776  4.052622689554  1.953744581602  0.036553154154  -0.007320218548  0.149434218448  -0.002520115413  0.003717335419  -0.003077988425
  27  Al  5.972547024523  6.030380016860  0.061756286488  0.025504790780  -0.147768385933  -0.214837550246  -0.001866507970  0.001862036725  0.004039817722
  28  Al  4.014375785650  4.029228848306  4.051433984460  -0.035758252782  -0.019580029775  -0.229013046604  0.000944809964  0.001998955329  0.003096743544
  29  Al  3.942567637146  6.019674695012  6.091408355214  0.336601843370  -0.062040728238  -0.223696454926  -0.003441411222  0.001245931263  0.005878281842
  30  Al  6.016411876333  3.937862810353  6.015193627692  -0.041380279042  0.162455335857  -0.032053348907  0.001105568901  -0.004180733716  0.000937039616
  31  Al  6.056789562785  5.975257272485  3.994098461278  -0.179001687551  0.104597957528  -0.146703020121  0.003709776894  -0.001606365699  -0.000784457287


MDSTEP:  30
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.993524444938  0.000000000000  0.000000000000
  0.000000000000  7.994204417795  0.000000000000
  0.000000000000  0.000000000000  7.996457886810
VIRIAL (kbar)
  -50.993900712653  -0.177444571403  0.062415256641
  -0.177444571403  -51.247914561634  -0.936529527461
  0.062415256641  -0.936529527461  -46.977101813543
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.930080195618  7.975252079185  7.964670682267  0.238753221463  0.021517942032  -0.129596742052  -0.003913405207  -0.001252118558  -0.002402570833
  1  Al  7.964719830248  1.955241601183  1.939799483589  0.182800894736  0.136676857711  0.035843715215  -0.001622716178  -0.002718116502  -0.003983188452
  2  Al  1.961817849754  7.933343275359  1.967739064820  0.068659839802  0.116596947350  0.159781538867  -0.002345286249  -0.004020453918  -0.001851411421
  3  Al  1.958807201563  1.979513575407  7.982985385168  0.033802157683  -0.031196189879  -0.200772440682  -0.002620450689  -0.001346469638  -0.001317696525
  4  Al  0.012041913409  7.947492769928  4.090347015185  0.140740057306  0.064862257078  -0.349051532727  0.001079426074  -0.003090250289  0.005685328082
  5  Al  0.008338379305  1.997142239717  6.032352215053  -0.008199169335  -0.052074090980  -0.135712445324  0.000540031575  -0.000184380375  0.002161948400
  6  Al  1.980529894131  7.986883945208  5.984156093547  -0.048740961627  0.217148802591  0.090181574674  -0.001338966715  -0.000077141780  -0.000761948784
  7  Al  1.993419230068  2.010588137249  4.035582597536  -0.050668740020  -0.097360444685  0.021708746236  -0.000418811291  0.000637426433  0.002608766002
  8  Al  7.967832510447  4.052829657099  7.916345431603  0.018292514347  -0.170103814470  0.213133532575  -0.001724805096  0.003480192000  -0.005099342139
  9  Al  0.018927606283  5.987820226179  1.994250958250  -0.012061145445  -0.019124202527  0.101753152218  0.001287821464  -0.000555465046  -0.000129761714
  10  Al  2.033869917799  3.933739931850  1.991339078903  -0.139508728363  0.419893836064  0.194696459467  0.002203386306  -0.003520394443  -0.000191599442
  11  Al  2.011357016579  6.015759111956  0.069184406399  -0.131975023662  -0.012426585873  0.057928524123  0.000629857112  0.001375353888  0.004884937247
  12  Al  7.962238604062  4.019127899868  3.948149164147  0.266945444771  -0.033427565816  0.206655660175  -0.001667925358  0.001489094708  -0.003016689379
  13  Al  0.005272875269  5.974226683883  5.943018630861  -0.025722085040  0.018213626607  0.157092149191  0.000333132002  -0.001413568080  -0.003438768700
  14  Al  1.986784292335  3.971993321268  6.020283518667  -0.095867050044  -0.129168528654  -0.152916590697  -0.000995651318  -0.001978150909  0.001297791089
  15  Al  2.054109350646  6.003650731580  3.936673229199  -0.292072137655  -0.107725873034  0.049397953349  0.003274466787  0.000358701655  -0.004181227008
  16  Al  4.065566424511  0.073924550386  7.995554347932  -0.064775492692  -0.080649990926  0.185179361343  0.004574238408  0.004931977440  0.000287154444
  17  Al  3.917396105841  1.935304335774  1.988980817446  0.329927140660  0.143336589355  -0.006812066035  -0.004821707536  -0.004057151799  -0.000716999659
  18  Al  6.047390558570  7.931687584314  1.926490079314  -0.284570868362  0.063892130480  0.196097573524  0.003040462840  -0.004212616297  -0.004645561907
  19  Al  6.016381722844  2.067974587429  7.907119437930  -0.207491870695  -0.298348895896  0.143358783698  0.001051808608  0.004227213800  -0.005921082630
  20  Al  4.017093357236  0.075614421402  4.004994679642  -0.107806651641  -0.294327257870  -0.049172182399  0.001186180619  0.004628735788  0.000361657587
  21  Al  4.013185284079  1.977371734958  6.014169075265  0.025624149174  0.128841478280  0.128036625985  0.001174407961  -0.001232903590  0.001398607700
  22  Al  5.996160717825  0.008382507949  6.006665353599  0.008342682595  0.214859723567  0.073921932730  0.000107760296  0.001002391136  0.000780805828
  23  Al  6.050345736256  2.009745330462  3.980422686265  -0.197040388554  -0.020497703071  0.238319159262  0.003406263861  0.000724692855  -0.000735508765
  24  Al  4.011786652620  3.988559875732  0.077579958780  0.085963397867  -0.078054192881  -0.308342370096  0.001193325944  -0.000728168412  0.004767125538
  25  Al  3.971179061292  6.065694688358  2.065353070596  0.126431761463  -0.152122643131  -0.195134686256  -0.001568468395  0.004486343628  0.004188642950
  26  Al  5.957684980672  4.051243982258  1.950702091420  0.040816134745  -0.014357686097  0.158446072304  -0.002515367525  0.003718580461  -0.003053009355
  27  Al  5.966812509134  6.026487591961  0.063718918644  0.023822274170  -0.155549916271  -0.231231597585  -0.001863704834  0.001836503482  0.004003278450
  28  Al  4.011618747593  4.027009065267  4.049840646333  -0.035725370233  -0.020987791507  -0.234515913122  0.000939230868  0.001997039126  0.003057859389
  29  Al  3.937691803702  6.015486590250  6.089629282466  0.349046501436  -0.065139224494  -0.231507146945  -0.003383054152  0.001235623722  0.005842452686
  30  Al  6.012125181952  3.932634209833  6.011011337023  -0.047044576304  0.177341781231  -0.038834032263  0.001098613160  -0.004153923836  0.000931478027
  31  Al  6.053766393132  5.969685904064  3.990612463035  -0.190697912544  0.109460625715  -0.147932768753  0.003679908874  -0.001588596651  -0.000811460051


MDSTEP:  31
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.986953554037  0.000000000000  0.000000000000
  0.000000000000  7.987676395839  0.000000000000
  0.000000000000  0.000000000000  7.990149677326
VIRIAL (kbar)
  -48.794321839190  -0.186495250191  0.070898542659
  -0.186495250191  -49.065955319503  -0.994250099769
  0.070898542659  -0.994250099769  -44.538100292242
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.921615363825  7.968114416910  7.957180436676  0.251967235664  0.022482360593  -0.131923314017  -0.003872975015  -0.001249283234  -0.002428004472
  1  Al  7.957369402751  1.952291969701  1.936279170694  0.190690717085  0.141907460311  0.040134270890  -0.001590745933  -0.002695588214  -0.003979781869
  2  Al  1.959035572360  7.924859874452  1.965268169496  0.066487666122  0.130562358261  0.166359638108  -0.002335271939  -0.004001880358  -0.001823817304
  3  Al  1.955888255152  1.977222466864  7.976019964782  0.031634504744  -0.033549503059  -0.202403738841  -0.002616914468  -0.001353443291  -0.001354876558
  4  Al  0.012578032376  7.939460618875  4.089947394123  0.146018952610  0.071647398417  -0.366607143863  0.001106027626  -0.003080755882  0.005626158249
  5  Al  0.008601182507  1.995416864991  6.028668383222  -0.005152785753  -0.055324943130  -0.143782784184  0.000539314754  -0.000194147973  0.002138790361
  6  Al  1.978230164247  7.980333031565  5.979058383212  -0.049201831380  0.220832143042  0.095267898441  -0.001348910188  -0.000038037155  -0.000746010902
  7  Al  1.991568910244  2.009260675007  4.033704417705  -0.056463915017  -0.101411676028  0.018125244426  -0.000428763320  0.000620208524  0.002614548048
  8  Al  7.960421127805  4.051252687357  7.907560196214  0.023065228141  -0.176135847586  0.225213047166  -0.001722630756  0.003452282207  -0.005064475837
  9  Al  0.019555438510  5.982652010779  1.992617406309  -0.012420501030  -0.019271856833  0.103266482400  0.001286770229  -0.000559387118  -0.000111535697
  10  Al  2.033293515246  3.928786173330  1.989681057169  -0.151262283356  0.430399948608  0.202175473245  0.002179327780  -0.003447438082  -0.000156267274
  11  Al  2.010012668546  6.011533819634  0.071574959095  -0.137854887001  -0.014562835886  0.051042945632  0.000606280606  0.001374148257  0.004898839212
  12  Al  7.954871370614  4.016588979033  3.943535409769  0.280163785631  -0.040209464745  0.212198607505  -0.001620466920  0.001483816904  -0.002981794607
  13  Al  0.005433962549  5.968642172755  5.936617912276  -0.025619434691  0.019812520382  0.165903219661  0.000328834550  -0.001411408912  -0.003412806375
  14  Al  1.984648978387  3.967754937381  6.016176347145  -0.098495691997  -0.128934109051  -0.159618253988  -0.001013915003  -0.002002973073  0.001270942895
  15  Al  2.054045050388  5.998922727356  3.931479214956  -0.305939765371  -0.110912462631  0.060244764415  0.003223875782  0.000339462076  -0.004174978021
  16  Al  4.064508714030  0.076326643484  7.989398706961  -0.071440559943  -0.089467159787  0.189309255807  0.004566098821  0.004921095206  0.000320892006
  17  Al  3.911779716617  1.931701744695  1.987052944259  0.340450219675  0.148818553944  -0.004586248273  -0.004766011939  -0.004034586114  -0.000718629080
  18  Al  6.043927004016  7.923107096427  1.922656229640  -0.290309763317  0.074942520489  0.209390281543  0.002991733820  -0.004203899958  -0.004613248349
  19  Al  6.011952745295  2.068386231057  7.897927480401  -0.209001476643  -0.314335915384  0.159961319247  0.001015487683  0.004176129797  -0.005898991830
  20  Al  4.014379490290  0.077853961769  4.002013874707  -0.113413841500  -0.305963296806  -0.049262181848  0.001167443447  0.004579113052  0.000353161558
  21  Al  4.010474705025  1.975146310870  6.010129690655  0.022048852082  0.133739220380  0.128597229337  0.001179709901  -0.001210501865  0.001422750212
  22  Al  5.991285967866  0.008886473740  6.002320560295  0.009466908312  0.216451362847  0.074345419435  0.000109448420  0.001041847601  0.000794730734
  23  Al  6.047066569461  2.008465625310  3.976925511558  -0.200787738010  -0.023003986360  0.241081668788  0.003373693560  0.000721438777  -0.000693258161
  24  Al  4.009089378589  3.984935257629  0.079888615083  0.083821014772  -0.078987434817  -0.323354366703  0.001209566108  -0.000742853697  0.004714683879
  25  Al  3.967136037189  6.062977918850  2.065809429786  0.133337300206  -0.156706994141  -0.205693222415  -0.001546621409  0.004462663650  0.004156357443
  26  Al  5.951531706326  4.049794464143  1.947643759407  0.049769946680  -0.022052675304  0.168763486948  -0.002509489081  0.003718590788  -0.003026341940
  27  Al  5.960976813570  6.022477725618  0.065660019994  0.026336579610  -0.161006393918  -0.247993206252  -0.001860866114  0.001809804525  0.003963823634
  28  Al  4.008789123011  4.024718244404  4.048164323504  -0.039253267617  -0.022819107903  -0.240543635139  0.000933355103  0.001994875523  0.003017972791
  29  Al  3.932778933514  6.011189298006  6.087736293451  0.357904812690  -0.066165802871  -0.239525154924  -0.003322815720  0.001224965497  0.005805295258
  30  Al  6.007730275362  3.927353742437  6.006733415485  -0.048422948221  0.192488506269  -0.046853366810  0.001091045780  -0.004124496012  0.000924606826
  31  Al  6.050621524485  5.964021661031  3.987052014565  -0.198123033179  0.116737112694  -0.149233635737  0.003648386055  -0.001569761447  -0.000838728172


MDSTEP:  32
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.980252023175  0.000000000000  0.000000000000
  0.000000000000  7.981018592873  0.000000000000
  0.000000000000  0.000000000000  7.983727103518
VIRIAL (kbar)
  -46.520313356587  -0.193558118918  0.079419543824
  -0.193558118918  -46.817579281817  -1.049097809324
  0.079419543824  -1.049097809324  -42.029415943090
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.913043363666  7.960849261777  7.949564427918  0.261052556236  0.022436664525  -0.134098154513  -0.003830597358  -0.001246389895  -0.002453909626
  1  Al  7.949905816330  1.949323219016  1.932734605381  0.194004944101  0.149730017950  0.043223137553  -0.001557779151  -0.002671929983  -0.003975789443
  2  Al  1.956227121601  7.916259258491  1.962783959556  0.069164331373  0.144375400138  0.172264249151  -0.002325253689  -0.003980891241  -0.001795118340
  3  Al  1.952940062097  1.974896190919  7.968922244701  0.034629690172  -0.033758507284  -0.203425373503  -0.002613357257  -0.001360681218  -0.001392352101
  4  Al  0.013127034587  7.931305777792  4.089456636941  0.147529624295  0.077218453059  -0.384305913054  0.001133283984  -0.003070213682  0.005563893394
  5  Al  0.008863401458  1.993654117279  6.024885475807  -0.006794897693  -0.055889558587  -0.150787795836  0.000538734470  -0.000204269656  0.002114305512
  6  Al  1.975893635776  7.973672197173  5.973883586845  -0.043903107898  0.222375573951  0.101297583302  -0.001358458824  0.000001568911  -0.000729079560
  7  Al  1.989680953587  2.007891520549  4.031770206019  -0.056871560289  -0.103384675560  0.014009725023  -0.000439288238  0.000602449742  0.002619697129
  8  Al  7.952881546608  4.049594257292  7.898681751961  0.022952254840  -0.181407219177  0.237218598140  -0.001720074691  0.003423410339  -0.005027523509
  9  Al  0.020181881268  5.977384850707  1.990964562088  -0.017193803052  -0.021747599541  0.103904858181  0.001285286618  -0.000563559258  -0.000093103713
  10  Al  2.032670401151  3.923806949303  1.988012626128  -0.158128496645  0.441235664152  0.208809763520  0.002153629173  -0.003372581654  -0.000119645462
  11  Al  2.008623138534  6.007209595623  0.073969205731  -0.138379193859  -0.019009363754  0.042307969525  0.000582123235  0.001372382136  0.004911450957
  12  Al  7.947399016953  4.013981250378  3.938884086776  0.288689529084  -0.045880361979  0.217963291721  -0.001571056026  0.001477452318  -0.002945916232
  13  Al  0.005592681017  5.962962411686  5.930146945344  -0.029772105486  0.018537690166  0.175783791456  0.000324178081  -0.001409248977  -0.003385216072
  14  Al  1.982472364657  3.963440496749  6.011968835667  -0.095571313387  -0.126355526553  -0.165316477399  -0.001032190349  -0.002027608485  0.001242987194
  15  Al  2.053919904260  5.994087350008  3.926234182342  -0.314697968765  -0.116087345345  0.072593082840  0.003171285082  0.000319464790  -0.004166729998
  16  Al  4.063378279690  0.078719654110  7.983145646631  -0.074584124675  -0.099593897175  0.192748142860  0.004557172707  0.004908614040  0.000355341753
  17  Al  3.906129628571  1.928080944374  1.985096197281  0.355719778615  0.156707352657  -0.003185766739  -0.004708061952  -0.004010890638  -0.000719949493
  18  Al  6.040338732360  7.914404443210  1.918813433773  -0.301251039790  0.085823218087  0.221961569657  0.002941533565  -0.004193304126  -0.004578683118
  19  Al  6.007406779892  2.068736299292  7.888636592004  -0.215339910716  -0.327718282451  0.177606403172  0.000978454136  0.004122462757  -0.005873933242
  20  Al  4.011589859382  0.080065029496  3.998971395493  -0.115088855667  -0.318758924286  -0.048789771039  0.001148063257  0.004527358811  0.000344699262
  21  Al  4.007700536483  1.972900713071  6.006015823609  0.022886221927  0.141163252326  0.129755155527  0.001184797035  -0.001187004014  0.001447094759
  22  Al  5.986314070219  0.009409678672  5.997896526374  0.004952941208  0.216322637522  0.075532403357  0.000110837227  0.001081492241  0.000808827055
  23  Al  6.043670649484  2.007151253630  3.973392944946  -0.210161688037  -0.022707085676  0.243627762132  0.003339992989  0.000717999604  -0.000650509839
  24  Al  4.006334061039  3.981238808746  0.082167369769  0.086100348580  -0.078769871166  -0.339518513796  0.001225859021  -0.000757631913  0.004659500083
  25  Al  3.963039995156  6.060148772134  2.066217963641  0.145297765085  -0.163443987150  -0.217143050695  -0.001523100712  0.004438045330  0.004122156277
  26  Al  5.945285454606  4.048277292704  1.944572541838  0.054393639289  -0.029716755525  0.178216624852  -0.002502444889  0.003717306819  -0.002997941958
  27  Al  5.955045911777  6.018355671684  0.067578136801  0.023702390775  -0.169616774875  -0.266268994417  -0.001858075532  0.001781862337  0.003921277968
  28  Al  4.005890448362  4.022360054512  4.046408649909  -0.038167658941  -0.023652545210  -0.245662843202  0.000927275684  0.001992514257  0.002977113369
  29  Al  3.927833627176  6.006788461695  6.085734940308  0.371286101170  -0.069797809743  -0.246720149889  -0.003260605630  0.001213907289  0.005766857686
  30  Al  6.003232807923  3.922026542332  6.002365359240  -0.055164259600  0.210146276981  -0.054264552551  0.001082768833  -0.004092196070  0.000916367545
  31  Al  6.047360091434  5.958270903065  3.983421130859  -0.211292132249  0.121223889526  -0.149336755337  0.003615071424  -0.001549890912  -0.000866161573


MDSTEP:  33
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.973427743421  0.000000000000  0.000000000000
  0.000000000000  7.974238820011  0.000000000000
  0.000000000000  0.000000000000  7.977198614083
VIRIAL (kbar)
  -44.183307503360  -0.203107264212  0.088015077621
  -0.203107264212  -44.497605200953  -1.106186940612
  0.088015077621  -1.106186940612  -39.448348684903
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.904372856133  7.953464408476  7.941830885183  0.274775267938  0.023908585761  -0.135345822324  -0.003786220558  -0.001243392137  -0.002480189343
  1  Al  7.942337238725  1.946337972775  1.929168128658  0.201826746334  0.156015895927  0.048456101389  -0.001523818546  -0.002647043610  -0.003971123210
  2  Al  1.953394685233  7.907550434144  1.960289049753  0.066760656526  0.160676281712  0.179922516739  -0.002315250188  -0.003957271944  -0.001765214497
  3  Al  1.949964836850  1.972536669449  7.961700572100  0.032800485434  -0.035249957741  -0.203551976698  -0.002609746833  -0.001368105962  -0.001429989216
  4  Al  0.013689062358  7.923036525539  4.088877459614  0.152949653120  0.085211580383  -0.403367720796  0.001161208753  -0.003058512194  0.005498389508
  5  Al  0.009124894913  1.991855898150  6.021009231140  -0.003542225701  -0.058061009303  -0.159897578579  0.000538308904  -0.000214649491  0.002088397191
  6  Al  1.973522743916  7.966909385348  5.968638569461  -0.042991660493  0.225271710271  0.105795428615  -0.001367489005  0.000041608138  -0.000711205326
  7  Al  1.987757293318  2.006482458472  4.029783848514  -0.062264388035  -0.106449150561  0.008997170364  -0.000450350726  0.000584236700  0.002624083091
  8  Al  7.945221631018  4.047857837952  7.889719556707  0.027963343205  -0.188165153027  0.250442070710  -0.001717113954  0.003393507084  -0.004988375800
  9  Al  0.020806520133  5.972024377917  1.989294590685  -0.017659807858  -0.022726593554  0.105715471066  0.001283359762  -0.000568055843  -0.000074438216
  10  Al  2.032001957986  3.918807091179  1.986336484556  -0.170244958893  0.450203969111  0.217179504974  0.002126253977  -0.003295955556  -0.000081651722
  11  Al  2.007190361538  6.002791913633  0.076366420129  -0.143615237364  -0.022459347997  0.033607904081  0.000557440632  0.001369936522  0.004922605838
  12  Al  7.939830174917  4.011308126580  3.934199894478  0.302488217471  -0.053981633895  0.222906883851  -0.001519635827  0.001469880705  -0.002909103398
  13  Al  0.005748662875  5.957193131054  5.923612906418  -0.029248242146  0.019087819950  0.184572816892  0.000319199523  -0.001407181039  -0.003355994720
  14  Al  1.980256678344  3.959054119946  6.007666829858  -0.096921476276  -0.125150263399  -0.173033379323  -0.001050363092  -0.002051969826  0.001213830206
  15  Al  2.053735139625  5.989150000800  3.920943410838  -0.328336517573  -0.120200448969  0.085260059417  0.003116708964  0.000298625188  -0.004156314932
  16  Al  4.062178831178  0.081102724800  7.976803921941  -0.081994789322  -0.108970196962  0.196403761002  0.004547389182  0.004894478667  0.000390462937
  17  Al  3.900451099170  1.924444551431  1.983112805893  0.366152880178  0.163453913683  0.000346472975  -0.004647857906  -0.003985947549  -0.000720843289
  18  Al  6.036630719114  7.905588368237  1.914964869742  -0.306633958109  0.099206745595  0.236778364372  0.002889888440  -0.004180615167  -0.004541723146
  19  Al  6.002749193145  2.069025594394  7.879256727860  -0.216406839717  -0.343400870211  0.196794838432  0.000940744672  0.004066232540  -0.005845667592
  20  Al  4.008728274045  0.082246530660  3.995871514119  -0.121158722801  -0.330066267914  -0.048582383885  0.001127996478  0.004473495309  0.000336296739
  21  Al  4.004866809407  1.970637543959  6.001833927240  0.018573579362  0.147278422352  0.128692314633  0.001189602628  -0.001162298369  0.001471496155
  22  Al  5.981250540151  0.009952115539  5.993399701712  0.005223894194  0.217123011698  0.074996790072  0.000111850112  0.001121255407  0.000823009085
  23  Al  6.040163093488  2.005804202058  3.969829423542  -0.214304401082  -0.024308254434  0.244935545636  0.003305122049  0.000714455495  -0.000607391341
  24  Al  4.003524858643  3.977474448922  0.084414840004  0.083239036045  -0.079642813539  -0.355254419309  0.001242140290  -0.000772497867  0.004601501370
  25  Al  3.958895933048  6.057212550198  2.066579813754  0.152809150703  -0.168948557523  -0.227472078149  -0.001497848561  0.004412401494  0.004086053877
  26  Al  5.938952532754  4.046695723062  1.941491357298  0.064037547184  -0.039496739962  0.189696370452  -0.002494170167  0.003714538353  -0.002967700582
  27  Al  5.949025467836  6.014126539193  0.069471686068  0.025773805100  -0.176403738513  -0.284478046613  -0.001855371357  0.001752554420  0.003875504702
  28  Al  4.002926776125  4.019938346061  4.044577433970  -0.042157537669  -0.026350949963  -0.251305464901  0.000920950214  0.001989876159  0.002935310898
  29  Al  3.922860986405  6.002289628026  6.083630990435  0.379506146774  -0.071913799069  -0.255558364378  -0.003196474312  0.001202350017  0.005727059651
  30  Al  5.998638106416  3.916658051758  5.997912852905  -0.057573718935  0.226713144893  -0.063767028861  0.001073688364  -0.004056890290  0.000906625331
  31  Al  6.043986873895  5.952439872495  3.979724021375  -0.219825927593  0.127794665198  -0.149886121860  0.003579860314  -0.001529045351  -0.000893693580


MDSTEP:  34
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.966488770004  0.000000000000  0.000000000000
  0.000000000000  7.967345076669  0.000000000000
  0.000000000000  0.000000000000  7.970572836095
VIRIAL (kbar)
  -41.772762273185  -0.208740940259  0.098425120658
  -0.208740940259  -42.114062813158  -1.161433866092
  0.098425120658  -1.161433866092  -36.799759257539
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.895613075184  7.945967973794  7.933988295257  0.284628274896  0.024401147966  -0.136711906105  -0.003739769654  -0.001240240746  -0.002506770680
  1  Al  7.934672402362  1.943338760217  1.925582311641  0.205341847328  0.163203550345  0.052083717695  -0.001488842778  -0.002620981917  -0.003965731157
  2  Al  1.950540034421  7.898742812828  1.957786253296  0.068921315828  0.177246485729  0.185886106765  -0.002305305589  -0.003930769763  -0.001734096969
  3  Al  1.946964399782  1.970145754765  7.954363550609  0.035694037587  -0.036468180378  -0.202878168780  -0.002606090283  -0.001375807331  -0.001467636692
  4  Al  0.014264608986  7.914661541204  4.088212554322  0.154467466851  0.092539110319  -0.422275294891  0.001189803539  -0.003045490676  0.005429528952
  5  Al  0.009385960017  1.990024012353  6.017045336536  -0.004711606739  -0.059488532816  -0.167404286459  0.000538080092  -0.000225365176  0.002061016699
  6  Al  1.971119570805  7.960052848366  5.963330191719  -0.036965404875  0.226230505376  0.112274124963  -0.001375934606  0.000082030249  -0.000692345995
  7  Al  1.985799457433  2.005035223883  4.027749244220  -0.063065343106  -0.109307327436  0.003386068772  -0.000461986607  0.000565488662  0.002627569635
  8  Al  7.937449864944  4.046046866921  7.880683347640  0.028574156600  -0.194056440288  0.263645720000  -0.001713682125  0.003362512495  -0.004946918318
  9  Al  0.021429327611  5.966576498572  1.987609806335  -0.022272037149  -0.024336998661  0.105592272300  0.001281002689  -0.000572799572  -0.000055606369
  10  Al  2.031289143120  3.913791352057  1.984655530624  -0.177889517986  0.459223297433  0.223603806915  0.002097128427  -0.003217715217  -0.000042302155
  11  Al  2.005715893360  5.998286479717  0.078765886707  -0.143958982178  -0.026396528518  0.023127711944  0.000532247056  0.001366855307  0.004932143088
  12  Al  7.932174109367  4.008572899382  3.929487543207  0.311465504383  -0.061431728734  0.228061692187  -0.001466160903  0.001460940503  -0.002871406225
  13  Al  0.005901958887  5.951340363489  5.917023002698  -0.033058937835  0.018730548798  0.195435198128  0.000313928739  -0.001405122065  -0.003325049399
  14  Al  1.978003804180  3.954599896095  6.003276130700  -0.093387508149  -0.121958050907  -0.178797150678  -0.001068378639  -0.002076001553  0.001183462993
  15  Al  2.053491593469  5.984116317729  3.915612291189  -0.337187287821  -0.124524382499  0.099261675240  0.003060132905  0.000277017542  -0.004143579443
  16  Al  4.060913785435  0.083475072517  7.970382486012  -0.086226843877  -0.119732650786  0.199471594859  0.004536646548  0.004878626773  0.000426223962
  17  Al  3.894749028439  1.920795121337  1.981105233560  0.381012260195  0.170798840050  0.002107710292  -0.004585428703  -0.003959800591  -0.000721277303
  18  Al  6.032808564377  7.896668020904  1.911113953708  -0.316787153895  0.112780000612  0.250224041414  0.002836863464  -0.004165586946  -0.004502283242
  19  Al  5.997985947601  2.069254766490  7.869798150319  -0.221789881261  -0.358368551985  0.217098968461  0.000902441912  0.004007289902  -0.005813948664
  20  Al  4.005798234770  0.084397511437  3.992718568790  -0.123291285042  -0.342450494893  -0.047786927802  0.001107199942  0.004417552128  0.000327982369
  21  Al  4.001977178100  1.968359334106  5.997590392005  0.018319123097  0.154028609978  0.129039799193  0.001194028141  -0.001136442280  0.001495881732
  22  Al  5.976101443944  0.010513861513  5.988836517137  0.000531798345  0.216038208150  0.075956705058  0.000112470759  0.001161052557  0.000837256481
  23  Al  6.036549614456  2.004426335714  3.966239361680  -0.223187786188  -0.024947047454  0.245898700239  0.003269119811  0.000710722030  -0.000564041860
  24  Al  4.000665554254  3.973646093629  0.086629688682  0.084388862821  -0.079489027316  -0.371816764740  0.001258308690  -0.000787457425  0.004540643946
  25  Al  3.954708530761  6.054174813200  2.066896273032  0.164974212407  -0.174906957401  -0.239787431142  -0.001470842977  0.004385796761  0.004047966666
  26  Al  5.932539816306  4.045052920813  1.938403345401  0.069787469766  -0.049485601084  0.199715567495  -0.002484560977  0.003710073436  -0.002935562149
  27  Al  5.942921686898  6.009795744225  0.071339096957  0.023212807317  -0.184311434358  -0.304450262188  -0.001852745729  0.001721939963  0.003826344568
  28  Al  3.999901788496  4.017456899929  4.042674531345  -0.041618437628  -0.028131423225  -0.256218534805  0.000914328688  0.001986874800  0.002892579175
  29  Al  3.917865728499  5.997698622340  6.081430207247  0.392255375899  -0.074542150295  -0.262712217998  -0.003130471664  0.001190381691  0.005685897750
  30  Al  5.993952009598  3.911253703384  5.993381529310  -0.064606114078  0.245673487340  -0.072073830929  0.001063776477  -0.004018455176  0.000895297690
  31  Al  6.040507194689  5.946535136773  3.975964943685  -0.233570385511  0.133439716937  -0.148958405403  0.003542695581  -0.001507118366  -0.000921232410


MDSTEP:  35
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.959443347248  0.000000000000  0.000000000000
  0.000000000000  7.960345520368  0.000000000000
  0.000000000000  0.000000000000  7.963858553896
VIRIAL (kbar)
  -39.300382722606  -0.217010994239  0.109240103093
  -0.217010994239  -39.661175716301  -1.218805833175
  0.109240103093  -1.218805833175  -34.083946150706
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.886773091875  7.938368143228  7.926045287878  0.297548946170  0.025558461845  -0.137567627613  -0.003691309935  -0.001236962732  -0.002533617839
  1  Al  7.926919841201  1.940328226731  1.921979615099  0.211849745467  0.169411985590  0.056543413653  -0.001452965964  -0.002593747875  -0.003959678507
  2  Al  1.947665391995  7.889845982322  1.955278268382  0.067033757968  0.195489160633  0.192350685750  -0.002295371765  -0.003901204530  -0.001701868972
  3  Al  1.943941036687  1.967725361146  7.946920010665  0.034948124316  -0.038322619251  -0.201818908517  -0.002602288690  -0.001383817399  -0.001505188659
  4  Al  0.014853820547  7.906189597968  4.087464714357  0.158433302429  0.101444106865  -0.441915689540  0.001218939211  -0.003031063696  0.005357250273
  5  Al  0.009646499432  1.988160370400  6.012999743870  -0.002627877041  -0.061846445960  -0.175769552321  0.000537943279  -0.000236433971  0.002032226719
  6  Al  1.968686701099  7.953110823240  5.957965608182  -0.034042990971  0.227583179584  0.118400650979  -0.001383614576  0.000122699097  -0.000672353801
  7  Al  1.983809431060  2.003551610806  4.025670321291  -0.067700200254  -0.112682930434  -0.002571076042  -0.000474128764  0.000546176160  0.002630069536
  8  Al  7.929574525357  4.044164943446  7.871583009626  0.032668580293  -0.200635922452  0.277582177158  -0.001709859401  0.003330437945  -0.004903079883
  9  Al  0.022049907504  5.961047180140  1.985912389504  -0.024245574757  -0.025049121083  0.105458276120  0.001278079160  -0.000577766597  -0.000036781241
  10  Al  2.030533364362  3.908764563399  1.982972527649  -0.189651347225  0.467094886472  0.230519531352  0.002066279946  -0.003137951878  -0.000001724158
  11  Al  2.004201775455  5.993699076950  0.081166738226  -0.147710085912  -0.029912812431  0.011855583701  0.000506673462  0.001363130894  0.004939827689
  12  Al  7.924439840630  4.005778999932  3.924751836156  0.324223239280  -0.070402538299  0.232844344535  -0.001410719254  0.001450551282  -0.002832834738
  13  Al  0.006052232819  5.945410176988  5.910384739429  -0.033749852486  0.019536374170  0.206487322648  0.000308256369  -0.001403048138  -0.003292172451
  14  Al  1.975716109325  3.950082168155  5.998802833709  -0.092850822173  -0.119134309317  -0.185230606377  -0.001086068041  -0.002099558108  0.001151997256
  15  Al  2.053190583170  5.978992039053  3.910246405722  -0.349782233362  -0.128315664233  0.114224481746  0.003001643945  0.000254668868  -0.004128312411
  16  Al  4.059586945162  0.085835797510  0.000035532433  -0.093239226695  -0.130602256617  0.202076691525  0.004524975898  0.004860919167  0.000462532378
  17  Al  3.889028799172  1.917135296621  1.979075823647  0.392640846378  0.177555573647  0.004733726645  -0.004520659593  -0.003932443936  -0.000721331623
  18  Al  6.028877588366  7.887652719559  1.907264011474  -0.322602524082  0.127901194606  0.264543596257  0.002782414542  -0.004148058355  -0.004460400733
  19  Al  5.993122763462  2.069424575341  7.860271369721  -0.223062151136  -0.374984538195  0.238492763167  0.000863524765  0.003945543691  -0.005778570431
  20  Al  4.002803690434  0.086516928547  3.989517029491  -0.128287892529  -0.354171022568  -0.046553311380  0.001085767346  0.004359485073  0.000319847467
  21  Al  3.999035755994  1.966068708577  5.993291854552  0.014511774105  0.159968103030  0.128464541660  0.001198117745  -0.001109448564  0.001520294780
  22  Al  5.970872546151  0.011094826635  5.984213656336  -0.000714649546  0.215014647098  0.076374558772  0.000112563022  0.001200721361  0.000851654432
  23  Al  6.032835648672  2.003019646343  3.962627220361  -0.228032510312  -0.026894906564  0.246237781421  0.003231918677  0.000706767379  -0.000520545859
  24  Al  3.997760385660  3.969757828132  0.088810512094  0.081870587426  -0.079506280024  -0.388857449747  0.001274394555  -0.000802434187  0.004476802835
  25  Al  3.950482976385  6.051041205920  2.067168502539  0.174447821223  -0.180153854092  -0.252234560845  -0.001441904683  0.004358249177  0.004007698903
  26  Al  5.926053970661  4.043352117332  1.935311549852  0.079587744487  -0.060682238342  0.210465337590  -0.002473599937  0.003703781011  -0.002901586808
  27  Al  5.936740498901  6.005368723943  0.073178647066  0.024186440821  -0.191055735543  -0.325015811855  -0.001850295502  0.001690019145  0.003773579016
  28  Al  3.996819668556  4.014919661040  4.040703946273  -0.044637425314  -0.030908779279  -0.260953889150  0.000907496757  0.001983501278  0.002848994745
  29  Al  3.912853064917  5.993021344573  6.079138631716  0.401425273542  -0.076379513136  -0.270246014544  -0.003062506124  0.001178025547  0.005643481533
  30  Al  5.989180086433  3.905819216877  5.988777247494  -0.068517758720  0.264515442722  -0.081098065408  0.001052896882  -0.003976679982  0.000882424862
  31  Al  6.036926058303  5.940563296845  3.972148364805  -0.243921061390  0.140568371558  -0.147822901341  0.003503408895  -0.001484057127  -0.000948627627


MDSTEP:  36
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.952299867486  0.000000000000  0.000000000000
  0.000000000000  7.953248477239  0.000000000000
  0.000000000000  0.000000000000  7.957064701577
VIRIAL (kbar)
  -36.759350484452  -0.221205485647  0.123168081613
  -0.221205485647  -37.146571697841  -1.272614098392
  0.123168081613  -1.272614098392  -31.303883423037
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.877862393770  7.930673328399  7.918010684322  0.307001088748  0.025431694467  -0.138415326682  -0.003640870822  -0.001233612371  -0.002560683613
  1  Al  7.919088502391  1.937308968212  1.918362605407  0.214196042395  0.177707419132  0.061416451905  -0.001416289360  -0.002565238405  -0.003952849937
  2  Al  1.944772652363  7.880869842528  1.952767872631  0.069713319450  0.213739726004  0.199393783006  -0.002285400297  -0.003868419131  -0.001668430499
  3  Al  1.940896741072  1.965277386067  7.939378964775  0.038802789542  -0.038743543663  -0.199649676891  -0.002598253948  -0.001392064484  -0.001542511359
  4  Al  0.015457063626  7.897629773973  4.086636751015  0.158761498809  0.109162801389  -0.461748339046  0.001248510139  -0.003015192231  0.005281460919
  5  Al  0.009906707467  1.986266841476  6.008878443852  -0.004617636935  -0.062275270334  -0.184574211745  0.000537824786  -0.000247767147  0.002001907289
  6  Al  1.966226477003  7.946091750700  5.952552053132  -0.025969752435  0.226419999913  0.124233560934  -0.001390344395  0.000163426594  -0.000651284253
  7  Al  1.981788892923  2.002033410111  4.023551055882  -0.067462647410  -0.114666265228  -0.009456470159  -0.000486684929  0.000526375778  0.002631465923
  8  Al  7.921604346110  4.042215694837  7.862428634967  0.032526807282  -0.206133363947  0.291657214700  -0.001705711355  0.003297314050  -0.004856775019
  9  Al  0.022668101417  5.955442595989  1.984204556961  -0.030058449408  -0.027633441253  0.105617609409  0.001274480214  -0.000583044025  -0.000017936902
  10  Al  2.029735701643  3.903731533043  1.981290320152  -0.196919086456  0.475243855938  0.237650688029  0.002033737917  -0.003056736663  0.000040147996
  11  Al  2.002649782579  5.989035654561  0.083568044252  -0.146635565950  -0.035072994763  -0.001154403109  0.000480844993  0.001358652173  0.004945428031
  12  Al  7.916636872633  4.002929809935  3.919997613487  0.332465546776  -0.078259000836  0.237752198518  -0.001353371582  0.001438673887  -0.002793406686
  13  Al  0.006199427817  5.939408867816  5.903705745873  -0.038283498076  0.018276073476  0.217309276722  0.000302116925  -0.001401038944  -0.003257362006
  14  Al  1.973395728502  3.945505327433  5.994253088768  -0.087427695098  -0.113749113947  -0.192015488548  -0.001103261916  -0.002122442312  0.001119338683
  15  Al  2.052833133173  5.973783077616  3.904851491144  -0.357549098455  -0.133404621391  0.130759534701  0.002941332798  0.000231508994  -0.004110281138
  16  Al  4.058201945318  0.088183997913  0.000275807009  -0.097487813808  -0.143073233741  0.204217348526  0.004512371184  0.004841197150  0.000499306623
  17  Al  3.883295572245  1.913467703217  1.977027033158  0.408460555131  0.186059726860  0.007964548845  -0.004453456712  -0.003903768923  -0.000720873891
  18  Al  6.024843614575  7.878552083217  1.903418477297  -0.333104254388  0.143204369348  0.279845625137  0.002726505051  -0.004127868673  -0.004415902404
  19  Al  5.988165840972  2.069535681840  7.850687134503  -0.228521372342  -0.389501173232  0.261379362956  0.000823983714  0.003881026416  -0.005739292790
  20  Al  3.999748409615  0.088603805032  3.986271480810  -0.129703881187  -0.367203262847  -0.044904866446  0.001063760570  0.004299228855  0.000311967967
  21  Al  3.996046414648  1.963768260287  5.988944983589  0.014344063108  0.167680448590  0.126877080534  0.001201878177  -0.001081228256  0.001544561887
  22  Al  5.965570030506  0.011694927953  5.979537868105  -0.006933889864  0.211543361175  0.075931695227  0.000111989722  0.001240048910  0.000866077425
  23  Al  6.029027109519  2.001586051915  3.958997478595  -0.237754760560  -0.026830722096  0.245709018043  0.003193438728  0.000702653558  -0.000477034765
  24  Al  3.994813338523  3.965813805588  0.090955871006  0.083087639815  -0.078145173715  -0.406282981666  0.001290403528  -0.000817320190  0.004409892397
  25  Al  3.946224289163  6.047817570036  2.067397695407  0.188217650101  -0.187083629738  -0.264242709523  -0.001410886137  0.004329666831  0.003965271537
  26  Al  5.919502130626  4.041596525930  1.932219112462  0.085550348697  -0.072086543575  0.221843967479  -0.002461264535  0.003695529875  -0.002865647843
  27  Al  5.930488257983  6.000851148715  0.074988566971  0.020629875964  -0.200256977849  -0.347176756913  -0.001848108478  0.001656672601  0.003717004202
  28  Al  3.993684356704  4.012330572547  4.038669778446  -0.043459013145  -0.032544620225  -0.265241521643  0.000900510490  0.001979766646  0.002804609046
  29  Al  3.907827956178  5.988263893703  6.076762392210  0.414618015753  -0.079748402286  -0.278419457760  -0.002992531333  0.001165213673  0.005599712772
  30  Al  5.984328297482  3.900360379435  5.984105916029  -0.077021308537  0.286283385100  -0.091080618543  0.001040915892  -0.003931305985  0.000867854408
  31  Al  6.033248889035  5.934531210372  3.968278843881  -0.259465517520  0.145658493276  -0.145196135995  0.003461833203  -0.001459908252  -0.000975727311


MDSTEP:  37
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.945066884537  0.000000000000  0.000000000000
  0.000000000000  7.946062412812  0.000000000000
  0.000000000000  0.000000000000  7.950200347310
VIRIAL (kbar)
  -34.157669901992  -0.228168144143  0.134784607170
  -0.228168144143  -34.565672039953  -1.328140040662
  0.134784607170  -1.328140040662  -28.460446528247
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.868890313926  7.922891963656  7.909893436748  0.319968804887  0.026211467775  -0.138242677805  -0.003588441666  -0.001230222361  -0.002587875064
  1  Al  7.911187120109  1.934283798021  1.914733913210  0.220198395095  0.184508447961  0.066774094064  -0.001378855019  -0.002535396383  -0.003945161046
  2  Al  1.941864154952  7.871824427635  1.950257926188  0.067270446296  0.233681622494  0.206356507610  -0.002275438798  -0.003832254471  -0.001633733460
  3  Al  1.937833954015  1.962803887940  7.931749656533  0.038061672076  -0.040095718116  -0.196989416756  -0.002593983375  -0.001400503206  -0.001579461355
  4  Al  0.016074381391  7.888991176159  4.085731533902  0.162058802001  0.118846842833  -0.482600997050  0.001278457148  -0.002997802461  0.005202042535
  5  Al  0.010166415111  1.984345501752  6.004687491673  -0.002663103957  -0.064003163973  -0.193940045708  0.000537712685  -0.000259308850  0.001969964915
  6  Al  1.963741739502  7.939003985964  5.947096834106  -0.022027824871  0.226182945147  0.130310918173  -0.001396031186  0.000204071989  -0.000629139541
  7  Al  1.979739996997  2.000482572869  4.021395412265  -0.072333484052  -0.117524789671  -0.016797656626  -0.000499676729  0.000506132185  0.002631631923
  8  Al  7.913547841150  4.040202919950  7.853230454725  0.036888978650  -0.212583810086  0.306654675328  -0.001701212333  0.003263147762  -0.004807901167
  9  Al  0.023283409691  5.949768855793  1.982488585098  -0.032516896026  -0.028733289345  0.105242592692  0.001270160761  -0.000588666620  0.000000905727
  10  Al  2.028897680322  3.898697158306  1.979611805373  -0.209304199753  0.482243998869  0.244687947489  0.001999442254  -0.002974140932  0.000083327708
  11  Al  2.001062162178  5.984302121394  0.085968726606  -0.149941420971  -0.039590379770  -0.014307075318  0.000454799921  0.001353327734  0.004948770213
  12  Al  7.908774464733  4.000028882563  3.915229789056  0.345032706694  -0.088004070758  0.241966946360  -0.001294129960  0.001425236149  -0.002753168575
  13  Al  0.006343143971  5.933342649949  5.896993726100  -0.038921313136  0.018577823269  0.228750120476  0.000295514251  -0.001399138564  -0.003220577775
  14  Al  1.971045272075  3.940874060915  5.989633116751  -0.086181134883  -0.109211335076  -0.198743873801  -0.001119896124  -0.002144499529  0.001085457835
  15  Al  2.052420744814  5.968495335238  3.899433485387  -0.370289444198  -0.137732519185  0.147508474041  0.002879180313  0.000207488111  -0.004089319429
  16  Al  4.056762755776  0.090518635991  0.000534358192  -0.105023234646  -0.155552993993  0.206221376547  0.004498780981  0.004819310564  0.000536494161
  17  Al  3.877554956688  1.909795152148  1.974961405584  0.420257221398  0.193545330705  0.011491961045  -0.004383796931  -0.003873705237  -0.000719822417
  18  Al  6.020712173208  7.869375880385  1.899580899794  -0.338088684893  0.160023397436  0.295469037311  0.002669203838  -0.004104859757  -0.004368664240
  19  Al  5.983121128699  2.069588975474  7.841056451668  -0.228836995564  -0.406217764707  0.285448443373  0.000783901653  0.003813721234  -0.005695866977
  20  Al  3.996636563517  0.090657053382  3.982986612007  -0.134439024809  -0.379125196558  -0.043196410857  0.001041200853  0.004236758038  0.000304386077
  21  Al  3.993013433577  1.961460773770  5.984556460195  0.009980174781  0.174207222666  0.124915910351  0.001205258607  -0.001051725820  0.001568558511
  22  Al  5.960199757431  0.012313865294  5.974815926144  -0.008554918853  0.208701533424  0.075617827397  0.000110716598  0.001278872808  0.000880459813
  23  Al  6.025129600625  2.000127686200  3.955354603880  -0.242257344360  -0.028338644712  0.244468577126  0.003153705577  0.000698419110  -0.000433648061
  24  Al  3.991828815086  3.961818370942  0.093064298848  0.079867629826  -0.077113829092  -0.423848701445  0.001306272429  -0.000832021522  0.004339857136
  25  Al  3.941937950879  6.044509707969  2.067585123837  0.198561354927  -0.192883648050  -0.277171050235  -0.001377705300  0.004299995105  0.003920634986
  26  Al  5.912891205199  4.039789416546  1.929129260222  0.096464036505  -0.084758489001  0.233594125999  -0.002447451599  0.003685183221  -0.002827650500
  27  Al  5.924171031469  5.996248576427  0.076766950504  0.021488815846  -0.207576352999  -0.369290889431  -0.001846193761  0.001621845094  0.003656473268
  28  Al  3.990500250768  4.009693752343  4.036576239211  -0.046411632072  -0.035532932602  -0.269652822159  0.000893374763  0.001975650138  0.002759446655
  29  Al  3.902795798149  5.983432338151  6.074307669420  0.423477785307  -0.082012060003  -0.286108230368  -0.002920568303  0.001151906193  0.005554570484
  30  Al  5.979402315548  3.894883303564  5.979373459694  -0.081404090773  0.307243846408  -0.101394554771  0.001027789088  -0.003882135709  0.000851468223
  31  Al  6.029480773528  5.928445655043  3.964361139033  -0.270382076472  0.152616508710  -0.143195133052  0.003417911599  -0.001434684013  -0.001002453870


MDSTEP:  38
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.937753083560  0.000000000000  0.000000000000
  0.000000000000  7.938795938657  0.000000000000
  0.000000000000  0.000000000000  7.943274683939
VIRIAL (kbar)
  -31.492651351002  -0.231701502517  0.150214937003
  -0.231701502517  -31.925943154321  -1.380186224064
  0.150214937003  -1.380186224064  -25.557309920922
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.859866625378  7.915032708499  7.901702709204  0.331235920164  0.026474376884  -0.138378929334  -0.003533853658  -0.001226756803  -0.002615127443
  1  Al  7.903224884455  1.931255428398  1.911096237411  0.223924493818  0.192343444117  0.071988006976  -0.001340536430  -0.002504258785  -0.003936577137
  2  Al  1.938941810529  7.862720063136  1.947751310533  0.067952597221  0.254408819503  0.213489996576  -0.002265663928  -0.003792481629  -0.001597766200
  3  Al  1.934754734572  1.960306876285  7.924041495768  0.040438075260  -0.041158569292  -0.193468667450  -0.002589606918  -0.001409190466  -0.001615917277
  4  Al  0.016706084277  7.880283228540  4.084751912098  0.163541402151  0.128108327757  -0.503190273378  0.001308884005  -0.002978752107  0.005118917397
  5  Al  0.010425806804  1.982398347416  6.000432989000  -0.003085770911  -0.064928616248  -0.203131627410  0.000537746754  -0.000271103933  0.001936360888
  6  Al  1.961234991041  7.931856113160  5.941607372987  -0.014419557937  0.224228322314  0.136419796305  -0.001400714677  0.000244565704  -0.000605892777
  7  Al  1.977664472675  1.998901009295  4.019207380395  -0.073759514526  -0.120100272681  -0.024797052982  -0.000513253499  0.000485390893  0.002630464624
  8  Al  7.905414055806  4.038130410673  7.843998899444  0.038625842139  -0.218587945588  0.321561396865  -0.001696192552  0.003227889166  -0.004756376149
  9  Al  0.023895634480  5.944032310557  1.980766733626  -0.037142593477  -0.030685469591  0.104569617909  0.001265225189  -0.000594577961  0.000019672777
  10  Al  2.028020404228  3.893666301801  1.977939903376  -0.218752611732  0.488657120981  0.251616684594  0.001963193474  -0.002890313509  0.000127799375
  11  Al  1.999440803753  5.979504555364  0.088367702035  -0.150059752507  -0.044520621838  -0.029404623976  0.000428430077  0.001347176139  0.004949661508
  12  Al  7.900862392097  3.997079677345  3.910453272620  0.355016056663  -0.097377840238  0.246503927612  -0.001232833713  0.001410099297  -0.002712149372
  13  Al  0.006483330111  5.927217984335  5.890256527891  -0.041772407027  0.018002704730  0.240551807105  0.000288597928  -0.001397284748  -0.003181726546
  14  Al  1.968667008267  3.936193049689  5.984949238861  -0.081525242659  -0.102989449993  -0.205557667330  -0.001136038505  -0.002165653339  0.001050349056
  15  Al  2.051954512267  5.963134891709  3.893998401467  -0.379569046466  -0.142195001030  0.166088749315  0.002815045030  0.000182660396  -0.004065237649
  16  Al  4.055273125154  0.092838680706  0.000811366743  -0.111374242240  -0.168891481095  0.207347231018  0.004484012494  0.004795175421  0.000574005328
  17  Al  3.871812260604  1.906120393777  1.972881540991  0.434201037075  0.201786667742  0.015241367008  -0.004311839909  -0.003842271154  -0.000718129642
  18  Al  6.016489390532  7.860134154802  1.895754880550  -0.346128090026  0.177631003041  0.311374078060  0.002610725772  -0.004078818916  -0.004318624757
  19  Al  5.977995134937  2.069585191696  7.831390549679  -0.231732354478  -0.422052658620  0.310490541253  0.000743505370  0.003743502330  -0.005648090358
  20  Al  3.993472093965  0.092675692155  3.979667180573  -0.137550813254  -0.391816224203  -0.040634194088  0.001017934403  0.004172095682  0.000297183338
  21  Al  3.989940784637  1.959148962362  5.980133027918  0.007534934219  0.181279023562  0.122424994637  0.001208054182  -0.001020995470  0.001592203067
  22  Al  5.954768097056  0.012951396491  5.970054710526  -0.013695751366  0.204192164041  0.074955012498  0.000108839281  0.001317100156  0.000894781622
  23  Al  6.021149295731  1.998646580035  3.951703061556  -0.250073304175  -0.028957103058  0.242830650205  0.003112884769  0.000694002205  -0.000390483399
  24  Al  3.988810888500  3.957775911474  0.095134323468  0.078672432670  -0.075524753748  -0.442084090589  0.001321784968  -0.000846517532  0.004266616025
  25  Al  3.937629200553  6.041123639471  2.067732015183  0.211356547763  -0.199252937359  -0.289921177319  -0.001342445001  0.004269278907  0.003873716280
  26  Al  5.906228640777  4.037934024466  1.926045280013  0.105014343475  -0.098107428572  0.245434405456  -0.002431925918  0.003672562012  -0.002787548104
  27  Al  5.917795377068  5.991566845353  0.078511901453  0.019454641352  -0.216223033531  -0.393251985108  -0.001844414042  0.001585582353  0.003591816655
  28  Al  3.987271446340  4.007013273506  4.034427595700  -0.047051843779  -0.037990381322  -0.273367775029  0.000885925857  0.001971076318  0.002713554468
  29  Al  3.897761660261  5.978532956513  6.071780789771  0.434559868041  -0.084610034607  -0.294295583037  -0.002846799146  0.001138170270  0.005508046296
  30  Al  5.974408281899  3.889394096542  5.974585868430  -0.088811145024  0.330230832351  -0.112087677699  0.001013612182  -0.003829051805  0.000833199837
  31  Al  6.025627315986  5.922313682766  3.960400013314  -0.285024150426  0.158627015591  -0.139316938663  0.003371718399  -0.001408299091  -0.001028695031


MDSTEP:  39
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.930367282276  0.000000000000  0.000000000000
  0.000000000000  7.931457783767  0.000000000000
  0.000000000000  0.000000000000  7.936297011485
VIRIAL (kbar)
  -28.770070118477  -0.236438081067  0.163664684492
  -0.236438081067  -29.224165513412  -1.431812623642
  0.163664684492  -1.431812623642  -22.595581401117
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.850801076037  7.907104291763  7.893447741244  0.345508086024  0.027073280958  -0.137347662554  -0.003476983464  -0.001223230794  -0.002642362704
  1  Al  7.895210912370  1.928226689514  1.907452284693  0.230535125576  0.199222099769  0.078319582469  -0.001301275994  -0.002471814489  -0.003927006827
  2  Al  1.936007838751  7.853567256457  1.945250946677  0.064000278209  0.276529488359  0.220879096951  -0.002256208895  -0.003748897976  -0.001560487029
  3  Al  1.931661449560  1.957788413711  7.916264074003  0.038727878844  -0.042712928996  -0.189056493361  -0.002585209101  -0.001418143877  -0.001651721707
  4  Al  0.017352322430  7.871515430264  4.083700819861  0.167189241488  0.139061064058  -0.525204374269  0.001339822630  -0.002957923209  0.005031971514
  5  Al  0.010684855326  1.980427475368  5.996121136495  -0.000420629387  -0.066583443879  -0.213328076580  0.000537990311  -0.000283146322  0.001901016779
  6  Al  1.958709092867  7.924656680483  5.936091173922  -0.010449861817  0.222485396373  0.142549259177  -0.001404390496  0.000284774091  -0.000581537072
  7  Al  1.975564389668  1.997290685058  4.016990949032  -0.079907191393  -0.123048548554  -0.033697038212  -0.000527530128  0.000464142315  0.002627821168
  8  Al  7.897211930616  4.036002062510  7.834744491278  0.044146260840  -0.225178715127  0.337662686264  -0.001690546465  0.003191521073  -0.004702093359
  9  Al  0.024504386147  5.938239322251  1.979041262392  -0.039142067757  -0.031662816769  0.103753291461  0.001259712826  -0.000600767154  0.000038325230
  10  Al  2.027105275985  3.888643827689  1.976277551485  -0.232878218836  0.494172316192  0.258701055392  0.001924831229  -0.002805381031  0.000173569650
  11  Al  1.997787915687  5.974649087566  0.090763721045  -0.153934868961  -0.049218457534  -0.044738334308  0.000401682998  0.001340179228  0.004947900520
  12  Al  7.892910329381  3.994085747814  3.905673051993  0.368559617042  -0.108324022695  0.250143282554  -0.001169390419  0.001393152644  -0.002670396423
  13  Al  0.006619737659  5.921041339454  5.883502106687  -0.041452802159  0.018463551232  0.252648261911  0.000281452826  -0.001395462239  -0.003140743998
  14  Al  1.966263541566  3.931467180959  5.980207850718  -0.080419010981  -0.096865137213  -0.212701120015  -0.001151700827  -0.002185760072  0.001013972171
  15  Al  2.051435876819  5.957707903184  3.888552463454  -0.393347300620  -0.146407393272  0.184847809453  0.002748827842  0.000157034388  -0.004037849021
  16  Al  4.053736981271  0.095143031515  0.001106935742  -0.120560588595  -0.182610032150  0.208637055966  0.004467913061  0.004768674354  0.000611777184
  17  Al  3.866073043380  1.902446269478  1.970790084994  0.444854190019  0.209444968026  0.019560758092  -0.004237679969  -0.003809445994  -0.000715723484
  18  Al  6.012181223415  7.850837132005  1.891944066371  -0.349142837623  0.196544894613  0.328169161866  0.002551241923  -0.004049551869  -0.004265671528
  19  Al  5.972794238116  2.069525179945  7.821700842430  -0.229961890839  -0.439397070838  0.337065900052  0.000702979211  0.003670305507  -0.005595728632
  20  Al  3.990259155852  0.094658677641  3.976318074426  -0.143234102814  -0.403694367909  -0.038280716058  0.000993874149  0.004105238269  0.000290417362
  21  Al  3.986832679337  1.956835615883  5.975681465755  0.001624888719  0.187676821286  0.119103808766  0.001210125219  -0.000989045718  0.001615372979
  22  Al  5.949281204398  0.013607132108  5.965261151879  -0.014641189372  0.199739296492  0.073895747929  0.000106417439  0.001354586598  0.000908975819
  23  Al  6.017092176794  1.997144874195  3.948047334263  -0.252948911586  -0.030767483550  0.240079577969  0.003071117047  0.000689374952  -0.000347674548
  24  Al  3.985763881194  3.953690921820  0.097164419556  0.073715998066  -0.073694913740  -0.460138070926  0.001336785025  -0.000860736471  0.004190116741
  25  Al  3.933303560530  6.037665428046  2.067839645604  0.221420618679  -0.204993846413  -0.303389021571  -0.001305125944  0.004237518335  0.003824460486
  26  Al  5.899521768123  4.036033588662  1.922970489210  0.118072759964  -0.112515984286  0.257922772962  -0.002414491597  0.003657505528  -0.002745269187
  27  Al  5.911367690345  5.986811765649  0.080221364043  0.021350317645  -0.223632920205  -0.417027772887  -0.001842675314  0.001547872448  0.003522876984
  28  Al  3.984002313426  4.004293318285  4.032228235248  -0.051187694412  -0.041401976919  -0.277298503773  0.000878056714  0.001966005284  0.002666971256
  29  Al  3.892730872206  5.973572087328  6.069188124225  0.441853427922  -0.086718204810  -0.302217213429  -0.002771357507  0.001124018086  0.005460112276
  30  Al  5.969352168441  3.883899099736  5.969749179895  -0.092514858166  0.353012083006  -0.123485652502  0.000998443618  -0.003771882876  0.000812949266
  31  Al  6.021693892331  5.916142346627  3.956400449669  -0.295414663719  0.166003004495  -0.136029058789  0.003323294289  -0.001380713009  -0.001054335158


MDSTEP:  40
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.922918407485  0.000000000000  0.000000000000
  0.000000000000  7.924056797125  0.000000000000
  0.000000000000  0.000000000000  7.929276727191
VIRIAL (kbar)
  -25.986704056523  -0.238571483911  0.182552559068
  -0.238571483911  -26.467608963481  -1.482154783252
  0.182552559068  -1.482154783252  -19.580421136039
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.841703786132  7.899115590392  7.885137969884  0.355232279016  0.027734073392  -0.136238187515  -0.003417962314  -0.001219607680  -0.002669468031
  1  Al  7.887154685666  1.925200352157  1.903804879801  0.232480930261  0.207259029779  0.083518183942  -0.001261229736  -0.002438041233  -0.003916447097
  2  Al  1.933064068680  7.844376753859  1.942759800346  0.065310954120  0.299676953886  0.227717908518  -0.002247015839  -0.003701278960  -0.001521918739
  3  Al  1.928556123706  1.955250546676  7.908427157167  0.042289042244  -0.043505791098  -0.183616286274  -0.002580681880  -0.001427338823  -0.001686701975
  4  Al  0.018013441579  7.862697547101  4.082581120511  0.166530703826  0.149736679339  -0.546888147930  0.001371082061  -0.002935184618  0.004941096809
  5  Al  0.010943810349  1.978434946880  5.991758120841  -0.002430260823  -0.067299432978  -0.222573923071  0.000538301235  -0.000295417721  0.001863923528
  6  Al  1.956166606128  7.917414375322  5.930555814932  -0.000737419161  0.219569902229  0.149287184294  -0.001406868472  0.000324612010  -0.000556013936
  7  Al  1.973441422024  1.995653563268  4.014750079093  -0.080169113044  -0.125342462662  -0.043317025946  -0.000542403294  0.000442410086  0.002623552966
  8  Al  7.888950850851  4.033821783560  7.825477949065  0.044828366057  -0.231789710662  0.353810434110  -0.001684366337  0.003153984557  -0.004644933818
  9  Al  0.025109511764  5.932396429045  1.977314442749  -0.045623975268  -0.033630347890  0.102013044367  0.001253455936  -0.000607235622  0.000056767992
  10  Al  2.026153310298  3.883634575238  1.974627725536  -0.241583892488  0.498741899616  0.264935439557  0.001884417097  -0.002719502454  0.000220578818
  11  Al  1.996105398462  5.969741961917  0.093155520670  -0.152452004667  -0.054781079392  -0.061645380829  0.000374700347  0.001332278364  0.004943318764
  12  Al  7.884928376739  3.991050569022  3.900894079110  0.376934370086  -0.119071614754  0.253871778220  -0.001103938803  0.001374269878  -0.002627978032
  13  Al  0.006752401932  5.914819364199  5.876738512312  -0.045634604935  0.017844546047  0.265595492574  0.000273959242  -0.001393673922  -0.003097521927
  14  Al  1.963837184698  3.926701389939  5.975415392958  -0.073757483617  -0.089666606132  -0.219015001788  -0.001166702857  -0.002204730358  0.000976368836
  15  Al  2.050865909175  5.952220638443  3.883101953817  -0.401286125351  -0.151043253605  0.204944376013  0.002680642333  0.000130592809  -0.004007010678
  16  Al  4.052158059888  0.097430561269  0.001421183851  -0.125963985915  -0.196779704027  0.209232054367  0.004450562246  0.004739726250  0.000649763046
  17  Al  3.860342618115  1.898775592529  1.968689757381  0.460218003894  0.218121771628  0.023494367957  -0.004161182276  -0.003775185536  -0.000712586123
  18  Al  6.007794163804  7.841495268112  1.888152201316  -0.357534859722  0.216535116301  0.344432013722  0.002490715888  -0.004016838283  -0.004209764806
  19  Al  5.967525316801  2.069409690483  7.811998969499  -0.233033223418  -0.455829442912  0.364806595013  0.000662305463  0.003594069205  -0.005538529987
  20  Al  3.987001730285  0.096605045301  3.972944211933  -0.144672172186  -0.415947376953  -0.035410218459  0.000969167461  0.004036217559  0.000284115736
  21  Al  3.983693075789  1.954523492326  5.971208553873  -0.000042441564  0.194974445652  0.115968918496  0.001211539725  -0.000955853350  0.001638009516
  22  Al  5.943745691478  0.014280689681  5.960442219708  -0.021364584768  0.194030089737  0.073278994120  0.000103308796  0.001391224284  0.000923046057
  23  Al  6.012964754062  1.995624633976  3.944391853091  -0.261719401172  -0.031391028379  0.236741844296  0.003028312424  0.000684536027  -0.000305372444
  24  Al  3.982691835868  3.949567976857  0.099153084535  0.072999936422  -0.071880629783  -0.478801612580  0.001351314430  -0.000874657747  0.004110312323
  25  Al  3.928966361548  6.034141290036  2.067909257362  0.236413250017  -0.211467797039  -0.317113732200  -0.001265547264  0.004204698840  0.003772773712
  26  Al  5.892778399175  4.034091318961  1.919908283178  0.126570656196  -0.127934034944  0.270039438654  -0.002395148999  0.003639823038  -0.002700783526
  27  Al  5.904894797129  5.981989350479  0.081893304446  0.018120355256  -0.232294795798  -0.442440694542  -0.001841083163  0.001508710179  0.003449515468
  28  Al  3.980696965425  4.001538046683  4.029982578759  -0.050485224850  -0.044725612920  -0.280811988579  0.000869886091  0.001960357451  0.002619710942
  29  Al  3.887708475102  5.968556204694  6.066536149029  0.454140368775  -0.089372773587  -0.309938820982  -0.002694129381  0.001109442875  0.005410802998
  30  Al  5.964240361481  3.878404690325  5.964869442817  -0.101631244882  0.377391480645  -0.134606481509  0.000982128243  -0.003710495567  0.000790675097
  31  Al  6.017686345516  5.909938909615  3.952367425295  -0.311947198339  0.172137507264  -0.131270566015  0.003272463837  -0.001351911538  -0.001079294776


MDSTEP:  41
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.915415497702  0.000000000000  0.000000000000
  0.000000000000  7.916601919847  0.000000000000
  0.000000000000  0.000000000000  7.922223304035
VIRIAL (kbar)
  -23.150434451070  -0.241645566104  0.198452107634
  -0.241645566104  -23.655484136077  -1.529455779462
  0.198452107634  -1.529455779462  -16.511173895197
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.832584575625  7.891075577132  7.876782910725  0.370206782933  0.027547135608  -0.134317167926  -0.003356720752  -0.001215956649  -0.002696362266
  1  Al  7.879065378796  1.922179310012  1.900156759108  0.239036148568  0.214092750984  0.090841287527  -0.001220399605  -0.002402938822  -0.003904804858
  2  Al  1.930112824206  7.835159480096  1.940280804727  0.061547374796  0.323137814905  0.235851291566  -0.002238066204  -0.003649496311  -0.001481991258
  3  Al  1.925441276828  1.952695410571  7.900540676266  0.041358037357  -0.045490329998  -0.177451578648  -0.002575953370  -0.001436813282  -0.001720700052
  4  Al  0.018689404579  7.853839407791  4.081395752180  0.170345220669  0.160907563162  -0.569689530202  0.001402677500  -0.002910511981  0.004846212640
  5  Al  0.011202504490  1.976422929741  5.987350273283  0.000511807235  -0.068991607356  -0.233801629971  0.000538703979  -0.000307921877  0.001824984697
  6  Al  1.953610631169  7.910137872759  5.925008984455  0.004825100301  0.215651494397  0.154921807355  -0.001408003908  0.000363885487  -0.000529365363
  7  Al  1.971297797035  1.993991689244  4.012488708960  -0.085710342865  -0.128613253246  -0.053669446558  -0.000557819441  0.000420163854  0.002617526270
  8  Al  7.880639878314  4.031593530978  7.816210064503  0.050777498878  -0.237730235911  0.370820022849  -0.001677611820  0.003115333094  -0.004584808215
  9  Al  0.025710459617  5.926510148752  1.975588482460  -0.047548614531  -0.034390108377  0.101173473757  0.001246459306  -0.000613963955  0.000074999203
  10  Al  2.025166037268  3.878643340998  1.972993344737  -0.255635581551  0.503420419894  0.272397492440  0.001841952877  -0.002632746979  0.000268862929
  11  Al  1.994395660142  5.964789416102  0.095541704772  -0.155428585707  -0.059475938783  -0.078983696190  0.000347561127  0.001323471652  0.004935730044
  12  Al  7.876926282189  3.987977681827  3.896121347698  0.390609072037  -0.130203080931  0.256954793758  -0.001036462167  0.001353430814  -0.002584940093
  13  Al  0.006880956247  5.908558677890  5.869973922787  -0.044642742418  0.018565532322  0.277768643809  0.000266176503  -0.001391895492  -0.003052047640
  14  Al  1.961390773208  3.921900750697  5.970578438616  -0.071385649026  -0.081384744776  -0.226757205316  -0.001180930302  -0.002222369007  0.000937482521
  15  Al  2.050246234288  5.946679397697  3.877653306476  -0.414512528516  -0.154750029284  0.225615232625  0.002610531684  0.000103379115  -0.003972544167
  16  Al  4.050540497822  0.099700109594  0.001754168634  -0.136440790424  -0.212247856974  0.209773939201  0.004431839470  0.004708167704  0.000687896684
  17  Al  3.854626768282  1.895111284573  1.966583261330  0.470322695296  0.225754660866  0.028930727919  -0.004082387962  -0.003739486739  -0.000708616270
  18  Al  6.003334310737  7.832119201661  1.884382994458  -0.360259140683  0.236854521995  0.362499351365  0.002429168823  -0.003980544892  -0.004150783030
  19  Al  5.962194901645  2.069239583545  7.802296742107  -0.230864220433  -0.473618314898  0.393834988026  0.000621517860  0.003514745505  -0.005476264270
  20  Al  3.983704235301  0.098513803211  3.969550596022  -0.150964130481  -0.428424015170  -0.032439991895  0.000943757727  0.003964972672  0.000278333695
  21  Al  3.980526369127  1.952215451734  5.966721148404  -0.007093119226  0.201040159273  0.111032795881  0.001212194130  -0.000921445042  0.001659966966
  22  Al  5.938167737675  0.014971576418  5.955604981303  -0.023340182287  0.187328730978  0.071184073574  0.000099420313  0.001426811332  0.000936899200
  23  Al  6.008773099406  1.994088054849  3.940741034034  -0.264804815604  -0.033339795312  0.232407916561  0.002984447467  0.000679472183  -0.000263717834
  24  Al  3.979599232236  3.945411694853  0.101098767502  0.066946762072  -0.068815689560  -0.497209896867  0.001365274042  -0.000888170367  0.004027162429
  25  Al  3.924623428885  6.030557451749  2.067942094389  0.246653863435  -0.216949749365  -0.330504914851  -0.001223688623  0.004170838394  0.003718656033
  26  Al  5.886006018256  4.032110386397  1.916862038941  0.140197711284  -0.143417813933  0.283539236704  -0.002373842876  0.003619412421  -0.002653995138
  27  Al  5.898383145873  5.977105572446  0.083525547529  0.019499075904  -0.239827392723  -0.467709226530  -0.001839682572  0.001468080735  0.003371589522
  28  Al  3.977360005516  3.998751675593  4.027695126341  -0.055125955175  -0.047962091923  -0.284454565785  0.000861367614  0.001954146277  0.002571795304
  29  Al  3.882700007993  5.963491804649  6.063831423441  0.460458503096  -0.091012596243  -0.318453472688  -0.002615195735  0.001094484824  0.005360058432
  30  Al  5.959078848733  3.872917428968  5.959952788584  -0.106152954690  0.402524335790  -0.147283121744  0.000964590449  -0.003644670514  0.000766259737
  31  Al  6.013610058323  5.903710590800  3.948306085101  -0.323386300244  0.179819524586  -0.126821629744  0.003219126710  -0.001321864155  -0.001103469133


MDSTEP:  42
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.907867673743  0.000000000000  0.000000000000
  0.000000000000  7.909102180880  0.000000000000
  0.000000000000  0.000000000000  7.915146286216
VIRIAL (kbar)
  -20.258654091356  -0.242143906340  0.220261537270
  -0.242143906340  -20.790655238401  -1.576054688924
  0.220261537270  -1.576054688924  -13.396474425548
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.823453811107  7.882993234898  7.868392218909  0.379814068404  0.028308650563  -0.132748765421  -0.003293262563  -0.001212267667  -0.002723002634
  1  Al  7.870952658740  1.919166367523  1.896510860693  0.240198879192  0.223297252988  0.096248004884  -0.001178852693  -0.002366398619  -0.003892056991
  2  Al  1.927155992685  7.825926470427  1.937817024357  0.062820012600  0.348329055555  0.242539953197  -0.002229361729  -0.003593358609  -0.001440714492
  3  Al  1.922319043764  1.950125053981  7.892614695647  0.045482027562  -0.045112014378  -0.170844508871  -0.002570970966  -0.001446462025  -0.001753610017
  4  Al  0.019380576333  7.844950968827  4.080147595910  0.168797844433  0.172779515233  -0.591719216156  0.001434529701  -0.002883793385  0.004747277844
  5  Al  0.011461213881  1.974393525947  5.982903803996  -0.001921623258  -0.068386053123  -0.243221192829  0.000539160345  -0.000320540973  0.001784180485
  6  Al  1.951043915851  7.902835846529  5.919458324993  0.015874147202  0.211418110648  0.162141557836  -0.001407674806  0.000402476938  -0.000501546052
  7  Al  1.969135289711  1.992307043568  4.010210751118  -0.085654872827  -0.129812719226  -0.064133514225  -0.000573750803  0.000397500003  0.002609661562
  8  Al  7.872288625433  4.029321370534  7.806951770651  0.051425251630  -0.244761104288  0.387375774109  -0.001670283931  0.003075524528  -0.004521671934
  9  Al  0.026307087274  5.920587172066  1.973865687731  -0.054634001489  -0.037375936158  0.098520518746  0.001238667037  -0.000621043263  0.000092937395
  10  Al  2.024144532350  3.873674971091  1.971377456416  -0.264309965520  0.506372686522  0.277884685089  0.001797436555  -0.002545253850  0.000318357388
  11  Al  1.992660731238  5.959797833228  0.097920846159  -0.153010466029  -0.066520862089  -0.098478699335  0.000320347767  0.001313624318  0.004924895704
  12  Al  7.868914348367  3.984870638635  3.891359825426  0.398521929060  -0.142127193415  0.260713110985  -0.000966996896  0.001330526538  -0.002541276204
  13  Al  0.007005496829  5.902266083361  5.863216495774  -0.048929632244  0.016867882853  0.291695032828  0.000258094473  -0.001390222375  -0.003004227738
  14  Al  1.958926777971  3.917070474763  5.965703487795  -0.063542669899  -0.072839516471  -0.232737233371  -0.001194276204  -0.002238553050  0.000897340102
  15  Al  2.049578028908  5.941090630216  3.872213036386  -0.421978594707  -0.160352799188  0.248096647848  0.002538532116  0.000075305118  -0.003934228500
  16  Al  4.048888026211  0.101950407114  0.002105944035  -0.142407088626  -0.227259905980  0.209168057186  0.004411689081  0.004673916232  0.000726071205
  17  Al  3.848930842171  1.891456190199  1.964473451123  0.485854182642  0.235894172315  0.033056737377  -0.004001274218  -0.003702213457  -0.000703795214
  18  Al  5.998808335377  7.822719682562  1.880640327776  -0.368078534972  0.259081727123  0.379266984965  0.002366647232  -0.003940463831  -0.004088673194
  19  Al  5.956810054488  2.069015625304  7.792606149674  -0.233242932491  -0.489277930344  0.423574085172  0.000580676563  0.003432395342  -0.005408741726
  20  Al  3.980370697576  0.100383945463  3.966142274620  -0.152148438781  -0.440265760934  -0.028473987169  0.000917665443  0.003891533034  0.000273169390
  21  Al  3.977336516174  1.949914264622  5.962226000441  -0.009281204794  0.209454899750  0.107168705551  0.001212040165  -0.000885717892  0.001681178622
  22  Al  5.932554008635  0.015679212909  5.950756426692  -0.030716670664  0.180157792851  0.070298978357  0.000094692550  0.001461215894  0.000950510611
  23  Al  6.004523859208  1.992537236804  3.937099239214  -0.273498162077  -0.033024911714  0.227941757022  0.002939524433  0.000674266476  -0.000222811087
  24  Al  3.976490116070  3.941226848472  0.102999946354  0.065505976690  -0.066593774138  -0.516733729818  0.001378597829  -0.000901237190  0.003940581497
  25  Al  3.920280202408  6.026920300435  2.067939453834  0.262359995386  -0.224509190321  -0.345127531720  -0.001179481620  0.004135834756  0.003662020394
  26  Al  5.879212626438  4.030094005428  1.913835271038  0.149311757567  -0.160932617254  0.295781952776  -0.002350513632  0.003596079991  -0.002604887168
  27  Al  5.891839655915  5.972166573169  0.085115935937  0.015957967376  -0.249702174146  -0.495249588630  -0.001838500170  0.001425871796  0.003288899666
  28  Al  3.973995601658  3.995938476593  4.025370406111  -0.054322842027  -0.051985037029  -0.287006868288  0.000852509022  0.001947307005  0.002523306434
  29  Al  3.877710513505  5.958385541495  6.061080497489  0.472390747724  -0.094705042091  -0.325939830599  -0.002534582198  0.001079049452  0.005307892650
  30  Al  5.953874091800  3.867443982266  5.955005263929  -0.115927901788  0.428468603525  -0.158807592512  0.000945768789  -0.003574258431  0.000739663715
  31  Al  6.009470935411  5.897464811506  3.944221580239  -0.340709185274  0.185114192359  -0.120250284983  0.003163205573  -0.001290642806  -0.001126694985


MDSTEP:  43
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.900284139761  0.000000000000  0.000000000000
  0.000000000000  7.901566682175  0.000000000000
  0.000000000000  0.000000000000  7.908055258193
VIRIAL (kbar)
  -17.317402761142  -0.243222428998  0.240328829531
  -0.243222428998  -17.878083509183  -1.618102698200
  0.240328829531  -1.618102698200  -10.234278085698
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.814321457704  7.874877702558  7.859975554141  0.394367866908  0.026275911567  -0.130524131174  -0.003227618752  -0.001208704810  -0.002749360150
  1  Al  7.862825791936  1.916164555845  1.892869955625  0.246051216194  0.229571176259  0.103523609420  -0.001136649051  -0.002328466398  -0.003878203226
  2  Al  1.924195929025  7.816688982694  1.935371402732  0.059047992567  0.372020978840  0.250008034473  -0.002220901535  -0.003532836306  -0.001398144494
  3  Al  1.919192028089  1.947541752754  7.884659356791  0.045267386106  -0.047593350770  -0.163686123459  -0.002565668269  -0.001456328893  -0.001785341226
  4  Al  0.020086844660  7.836042318149  4.078839628427  0.171528307737  0.183338743367  -0.614477004547  0.001466541810  -0.002855078489  0.004644286171
  5  Al  0.011719734944  1.972349060655  5.978425117427  0.000523394020  -0.070504188973  -0.254405341194  0.000539625545  -0.000333313357  0.001741510540
  6  Al  1.948469717274  7.895517015787  5.913911650364  0.022962776961  0.204375224608  0.168683159961  -0.001405742023  0.000440106947  -0.000472472656
  7  Al  1.966956195296  1.990601810812  4.007920131982  -0.090780428400  -0.133349725491  -0.075068153258  -0.000590160779  0.000374393346  0.002599902634
  8  Al  7.863906311467  4.027009311616  7.797713993843  0.057443862234  -0.248982583726  0.404632023123  -0.001662374391  0.003034708021  -0.004455494813
  9  Al  0.026898792810  5.914634044451  1.972148212891  -0.057308015435  -0.037462097375  0.096348969127  0.001230010099  -0.000628413418  0.000110463459
  10  Al  2.023090375202  3.868734190025  1.969782942131  -0.278320676521  0.511189080618  0.284372172745  0.001750866991  -0.002457005624  0.000368977123
  11  Al  1.990903145876  5.954773442980  0.100291332001  -0.154908804606  -0.071129825348  -0.118584053302  0.000293155628  0.001302741694  0.004910560764
  12  Al  7.860902444792  3.981732959348  3.886614556806  0.411863116018  -0.152499672131  0.263969521855  -0.000895567997  0.001305621104  -0.002496967205
  13  Al  0.007125648367  5.895948219847  5.856474571649  -0.048175654550  0.018290354069  0.305159540297  0.000249691130  -0.001388590878  -0.002953940850
  14  Al  1.956448178021  3.912215830408  5.960797229466  -0.059838570450  -0.061437046168  -0.239874733561  -0.001206619932  -0.002253000617  0.000855992766
  15  Al  2.048863009411  5.935460670558  3.866787834949  -0.434630762887  -0.163600282868  0.271271740015  0.002464689038  0.000046410132  -0.003891831754
  16  Al  4.047204827900  0.104180232138  0.002476462599  -0.153144986850  -0.245731259047  0.208092706677  0.004390082341  0.004636695938  0.000764142279
  17  Al  3.843260708811  1.887813390821  1.962363072973  0.496004596359  0.243156739887  0.038407943797  -0.003917829194  -0.003663393376  -0.000698129031
  18  Al  5.994222519522  7.813307698587  1.876927971368  -0.370249949136  0.279603789422  0.397252869450  0.002303195998  -0.003896568903  -0.004023434734
  19  Al  5.951377494020  2.068738795508  7.782939277833  -0.230511012813  -0.508075955825  0.454136935063  0.000539830284  0.003346920376  -0.005335813909
  20  Al  3.977005643455  0.102214528651  3.962724405239  -0.157964968964  -0.454337712389  -0.024038030111  0.000890930982  0.003815748687  0.000268754219
  21  Al  3.974127951969  1.947622928524  5.957729989657  -0.016829406652  0.214849925288  0.101799650796  0.001211031549  -0.000848728822  0.001701604137
  22  Al  5.926910749754  0.016402979914  5.945903685707  -0.033560316695  0.170058030832  0.068407874212  0.000089046752  0.001494132623  0.000963897822
  23  Al  6.000223245533  1.990974501464  3.933470838795  -0.276527666082  -0.035730591749  0.222840936805  0.002893543733  0.000668850411  -0.000182720460
  24  Al  3.973368989266  3.937018170168  0.104855004694  0.058628155621  -0.061072352236  -0.536377907611  0.001391210696  -0.000913637721  0.003850450389
  25  Al  3.915942650611  6.023236098588  2.067902537994  0.273454306598  -0.229540141564  -0.359759863483  -0.001132845233  0.004099723040  0.003602749014
  26  Al  5.872405880325  4.028045250691  1.910831388077  0.163541595788  -0.176203589018  0.309101918146  -0.002325102760  0.003569838367  -0.002553470151
  27  Al  5.885270866368  5.967178341671  0.086662113587  0.016793911134  -0.256516700032  -0.522746352519  -0.001837583349  0.001382143665  0.003201237247
  28  Al  3.970608451464  3.993102690379  4.023013067405  -0.058996383618  -0.053988527534  -0.289390393192  0.000843306132  0.001939947636  0.002474353259
  29  Al  3.872745573992  5.953243942389  6.058290051068  0.478559214474  -0.095609554119  -0.333710393118  -0.002452296190  0.001063200797  0.005254365351
  30  Al  5.948632146530  3.861991120799  5.950033049657  -0.121271087513  0.456882564788  -0.171566274243  0.000925587166  -0.003498956312  0.000710876278
  31  Al  6.005274422684  5.891208832519  3.940119270028  -0.353019007548  0.193752636818  -0.113800851191  0.003104615827  -0.001258158859  -0.001148792056


MDSTEP:  44
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.892674159591  0.000000000000  0.000000000000
  0.000000000000  7.894004578223  0.000000000000
  0.000000000000  0.000000000000  7.900959844809
VIRIAL (kbar)
  -14.330484109990  -0.242660571076  0.262327774075
  -0.242660571076  -14.917850553967  -1.660520973860
  0.262327774075  -1.660520973860  -7.031082112577
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.805197977799  7.866737919905  7.851542670897  0.405521580591  0.027436237975  -0.127598965491  -0.003159644459  -0.001205231569  -0.002775311541
  1  Al  7.854694522147  1.913176653984  1.889236986370  0.248109597080  0.238659806303  0.109893154300  -0.001093705878  -0.002289148306  -0.003863152939
  2  Al  1.921234548667  7.807458188432  1.932946961254  0.057876339843  0.399231834526  0.257313502941  -0.002212902660  -0.003467739799  -0.001354222757
  3  Al  1.916062456537  1.944947538000  7.876684888091  0.047605762295  -0.047461042664  -0.155320785756  -0.002560202610  -0.001466435338  -0.001815734443
  4  Al  0.020808482128  7.827123474826  4.077474787928  0.170826145556  0.196601505107  -0.637545050917  0.001498789374  -0.002824237876  0.004537134721
  5  Al  0.011978301056  1.970291628121  5.973920492905  -0.000936799562  -0.069828249494  -0.264729865929  0.000540186257  -0.000346232999  0.001696889718
  6  Al  1.945890951387  7.888189901725  5.908376743537  0.032836475083  0.199493007463  0.175489280737  -0.001402307846  0.000476717115  -0.000442179894
  7  Al  1.964762359798  1.988877980182  4.005620759872  -0.092839886141  -0.134731661871  -0.087000437448  -0.000607239072  0.000350826190  0.002588113940
  8  Al  7.855502693027  4.024661645412  7.788507757116  0.059549653403  -0.256639673387  0.422299249998  -0.001653750702  0.002992823168  -0.004386169380
  9  Al  0.027485370470  5.908657609018  1.970438265609  -0.063537524600  -0.040160549320  0.093571355202  0.001220562963  -0.000636048773  0.000127566100
  10  Al  2.022004685761  3.863825911790  1.968212783811  -0.289361347942  0.512430629474  0.290050242129  0.001702027738  -0.002368150361  0.000420741136
  11  Al  1.989125067614  5.949722734064  0.102651502066  -0.154213873487  -0.078267858796  -0.139274493823  0.000265829653  0.001290813086  0.004892610494
  12  Al  7.852900984868  3.978568330588  3.881890558090  0.420822244105  -0.165798845879  0.266845079722  -0.000822077163  0.001278587726  -0.002452088484
  13  Al  0.007241486535  5.889612042843  5.849756475661  -0.050848262741  0.016907398262  0.319156091046  0.000241110111  -0.001386971846  -0.002901174760
  14  Al  1.953957595512  3.907342364337  5.955866280462  -0.053384211050  -0.052267104111  -0.246355509083  -0.001218084036  -0.002265652689  0.000813392933
  15  Al  2.048102446944  5.929796103190  3.861384470312  -0.444234259556  -0.168861683536  0.294785770412  0.002388805447  0.000016722991  -0.003845253385
  16  Al  4.045494695543  0.106388060341  0.002865636213  -0.161119246763  -0.261104504830  0.207132083386  0.004366834223  0.004596466927  0.000802078260
  17  Al  3.837621780358  1.884185718514  1.960254991747  0.509756426724  0.253451699413  0.043418799734  -0.003832204400  -0.003623007215  -0.000691537032
  18  Al  5.989583697986  7.803894132177  1.873249808701  -0.374925002055  0.303828203764  0.415062257651  0.002239091963  -0.003848673310  -0.003954966686
  19  Al  5.945904441331  2.068409811042  7.773308318808  -0.229822108303  -0.524113859572  0.486008382559  0.000499251922  0.003258278658  -0.005257278754
  20  Al  3.973613216272  0.104004415350  3.959302208044  -0.160578938894  -0.465405802337  -0.019904914909  0.000863424386  0.003737681487  0.000265103598
  21  Al  3.970904663979  1.945344183058  5.953239894086  -0.020935345010  0.223055356022  0.096503758216  0.001208994875  -0.000810493578  0.001721113710
  22  Al  5.921244656469  0.017141998546  5.941053830041  -0.039038369781  0.162347831109  0.066610974275  0.000082651510  0.001525511459  0.000976978562
  23  Al  5.995878025802  1.989401914528  3.929860166215  -0.282598734745  -0.035493134294  0.216900422118  0.002846735401  0.000663216203  -0.000143577686
  24  Al  3.970239899581  3.932790712294  0.106662320614  0.055129492297  -0.058874005757  -0.555639787652  0.001402927097  -0.000925373010  0.003756783932
  25  Al  3.911616358093  6.019511380122  2.067832563450  0.288181720986  -0.236922845352  -0.374440666451  -0.001083862265  0.004062513908  0.003540829872
  26  Al  5.865593935290  4.025967428743  1.907853901554  0.175593869363  -0.195495586117  0.322228643678  -0.002297342764  0.003540522125  -0.002499659532
  27  Al  5.878683749580  5.962147181815  0.088161732452  0.015547593419  -0.266307816827  -0.550719685597  -0.001836725749  0.001336900004  0.003108554035
  28  Al  3.967202794025  3.990248767297  4.020627798385  -0.059625670272  -0.059073461415  -0.291988746082  0.000833629571  0.001931971007  0.002424928194
  29  Al  3.867810282902  5.948073824654  6.055466776651  0.488207327042  -0.099029117572  -0.341614797640  -0.002368536181  0.001046961623  0.005199432451
  30  Al  5.943359510990  3.856565857520  5.945042247322  -0.129133481920  0.483154237439  -0.184193425192  0.000904213942  -0.003418725000  0.000679795371
  31  Al  6.001026463390  5.884950251250  3.936004521325  -0.368431164966  0.199239056276  -0.106941916132  0.003043521601  -0.001224392008  -0.001169733010


MDSTEP:  45
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.885047039945  0.000000000000  0.000000000000
  0.000000000000  7.886425069831  0.000000000000
  0.000000000000  0.000000000000  7.893869687186
VIRIAL (kbar)
  -11.296898482935  -0.240979955387  0.287646134278
  -0.240979955387  -11.915707236244  -1.696658266551
  0.287646134278  -1.696658266551  -3.790310453814
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.796093568369  7.858583156706  7.843103398344  0.419310291174  0.026032637102  -0.124474996852  -0.003089401500  -0.001201790809  -0.002800774261
  1  Al  7.846568295397  1.910205700973  1.885614812942  0.252777180729  0.245634498728  0.117491382347  -0.001050126442  -0.002248377488  -0.003846872699
  2  Al  1.918274006907  7.798245615487  1.930546709224  0.054843361321  0.425227389114  0.265037761350  -0.002205297678  -0.003397853843  -0.001308923045
  3  Al  1.912932790987  1.942344683822  7.868701639355  0.048674116742  -0.049306694681  -0.146363880423  -0.002554457022  -0.001476723956  -0.001844626566
  4  Al  0.021545456811  7.818204741988  4.076055998757  0.172155672672  0.208496851235  -0.660856886349  0.001531147053  -0.002791146872  0.004425763963
  5  Al  0.012236797298  1.968223583395  5.969396300911  0.000068912402  -0.071020324182  -0.276101322292  0.000540713458  -0.000359217302  0.001650297037
  6  Al  1.943310791868  7.880863265766  5.902861422958  0.041742666896  0.191860966562  0.182054970322  -0.001397206912  0.000512254200  -0.000410663410
  7  Al  1.962555913031  1.987137745542  4.003316465664  -0.096703622783  -0.137737313617  -0.099385779365  -0.000624873539  0.000326844708  0.002574161345
  8  Al  7.847087217403  4.022282383384  7.779344130702  0.064729042560  -0.261739051651  0.440230587406  -0.001644485707  0.002949787046  -0.004313627184
  9  Al  0.028066298369  5.902664509083  1.968738003706  -0.067353380539  -0.040809014426  0.090846626719  0.001210221480  -0.000643999650  0.000144195627
  10  Al  2.020888862406  3.858954750744  1.966669896112  -0.302311351875  0.515173243124  0.296183026212  0.001651008675  -0.002278868935  0.000473619564
  11  Al  1.987328902861  5.944652005630  0.104999650667  -0.154856941593  -0.083697609162  -0.160888794882  0.000238481091  0.001277762692  0.004870901968
  12  Al  7.844920032313  3.975380202142  3.877192816314  0.432785167905  -0.177419174460  0.269801167003  -0.000746642936  0.001249310834  -0.002406663511
  13  Al  0.007352780987  5.883264289705  5.843070589055  -0.050979643741  0.017714295928  0.332956601032  0.000232271629  -0.001385419313  -0.002845893530
  14  Al  1.951457907397  3.902455443542  5.950917329390  -0.048126440879  -0.040328149806  -0.253514996905  -0.001228527962  -0.002276457984  0.000769535868
  15  Al  2.047297899088  5.924103367136  3.856009743976  -0.455597887840  -0.172511873499  0.319121821373  0.002310990669  -0.000013793960  -0.003794381272
  16  Al  4.043761696652  0.108572650868  0.003273388423  -0.171890522861  -0.279555104365  0.205453325030  0.004341936124  0.004553223403  0.000839825142
  17  Al  3.832019807090  1.880576282861  1.958152045036  0.520310974000  0.261788032339  0.049227572134  -0.003744356290  -0.003580953562  -0.000683976655
  18  Al  5.984898517005  7.794490237800  1.869609706348  -0.377239283357  0.326599937114  0.433666601120  0.002174318359  -0.003796567425  -0.003883205933
  19  Al  5.940397967657  2.068029651449  7.763725591210  -0.227025590242  -0.542461158244  0.518337207941  0.000458946161  0.003166502425  -0.005172966812
  20  Al  3.970197868245  0.105752741835  3.955880884690  -0.165647396608  -0.478599637153  -0.015031137409  0.000835210384  0.003657402797  0.000262257203
  21  Al  3.967670970574  1.943081029685  5.948762513104  -0.028048782928  0.228971514846  0.090033007226  0.001205966954  -0.000770962621  0.001739606871
  22  Al  5.915562220904  0.017895605804  5.936213953513  -0.043046963924  0.151668066888  0.064069368253  0.000075401567  0.001555298517  0.000989693813
  23  Al  5.991494731724  1.987821817340  3.926271487940  -0.286378822835  -0.037556936447  0.210804866871  0.002799028105  0.000657420406  -0.000105471854
  24  Al  3.967107220383  3.928549251909  0.108420311105  0.048201702573  -0.053911506481  -0.575120841397  0.001413740833  -0.000936491949  0.003659588270
  25  Al  3.907307254418  6.015752509312  2.067730751183  0.300355836000  -0.242496923468  -0.389155012648  -0.001032431496  0.004024153696  0.003476248894
  26  Al  5.858784781029  4.023863514770  1.904906306570  0.189669140343  -0.212931433906  0.335969414267  -0.002267242475  0.003507930933  -0.002443412173
  27  Al  5.872085121142  5.957079167826  0.089612405566  0.015845843134  -0.273784841621  -0.579266498002  -0.001835974158  0.001290077774  0.003010746639
  28  Al  3.963783252607  3.987380908191  4.018219279390  -0.063560834763  -0.062247392347  -0.294250404524  0.000823544003  0.001923270147  0.002375038786
  29  Al  3.862910063051  5.942881816989  6.052617374193  0.494700415892  -0.100254292042  -0.349777025212  -0.002283267644  0.001030301650  0.005143052303
  30  Al  5.938062491382  3.851175032570  5.940038983100  -0.135393375203  0.511914687734  -0.197718094530  0.000881564593  -0.003333523577  0.000646348952
  31  Al  5.996732759750  5.878696416438  3.931882743963  -0.382009482374  0.207286310845  -0.099379635813  0.002979802874  -0.001189391983  -0.001189416590


MDSTEP:  46
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.877412127446  0.000000000000  0.000000000000
  0.000000000000  7.878837382005  0.000000000000
  0.000000000000  0.000000000000  7.886794427925
VIRIAL (kbar)
  -8.225970458140  -0.238877056183  0.312901240224
  -0.238877056183  -8.871774632220  -1.732658659485
  0.312901240224  -1.732658659485  -0.516365073873
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.787018697715  7.850422475989  7.834667580689  0.428807139756  0.027393296702  -0.120812552068  -0.003017031608  -0.001198363703  -0.002825680129
  1  Al  7.838456829549  1.907254549979  1.882006400226  0.252600103388  0.255784316530  0.123990491216  -0.001006108186  -0.002206054818  -0.003829346345
  2  Al  1.915316299289  7.789062703069  1.928173692311  0.054764983806  0.453880348118  0.272081259193  -0.002197987438  -0.003323040010  -0.001262265519
  3  Al  1.909805385947  1.939735291329  7.860720011971  0.052663472115  -0.048192611425  -0.136899836716  -0.002548281505  -0.001487106316  -0.001871916824
  4  Al  0.022297920881  7.809296321015  4.074586169434  0.169304090205  0.222660213453  -0.684038935004  0.001563422351  -0.002755719622  0.004310153845
  5  Al  0.012495330016  1.966147119981  5.964858821326  -0.003013427012  -0.069317318109  -0.286573588588  0.000541061625  -0.000372174518  0.001601715098
  6  Al  1.940732333936  7.873545648545  5.897373486425  0.053738486377  0.185938667052  0.189127164934  -0.001390246388  0.000546624452  -0.000377897236
  7  Al  1.960338832413  1.985383161957  4.001011043927  -0.097208113047  -0.138083825787  -0.111892728579  -0.000642925669  0.000302540251  0.002557988924
  8  Al  7.838669644189  4.019875781717  7.770234204486  0.065462094073  -0.269860200336  0.458441867359  -0.001634700053  0.002905553723  -0.004237811537
  9  Al  0.028641272110  5.896661588372  1.967049590403  -0.075355036306  -0.044322355664  0.087371932475  0.001198824998  -0.000652339019  0.000160289377
  10  Al  2.019744144876  3.854125464731  1.965157235881  -0.312164190461  0.514913336965  0.301071688782  0.001597911193  -0.002189291415  0.000527543541
  11  Al  1.985516948627  5.939567729395  0.107333996129  -0.152174064648  -0.092003705095  -0.183462564606  0.000211286914  0.001263483552  0.004845258608
  12  Al  7.836969958671  3.972172187462  3.872526323371  0.439826050543  -0.191682758141  0.272340563669  -0.000669432386  0.001217700072  -0.002360719104
  13  Al  0.007459528848  5.876911909702  5.836425273149  -0.054882539034  0.015547487481  0.347523312744  0.000223064966  -0.001384002436  -0.002788040322
  14  Al  1.948951891816  3.897560691447  5.945957005973  -0.039617243442  -0.030173089247  -0.259673306337  -0.001237766109  -0.002285324952  0.000724447716
  15  Al  2.046450779020  5.918389063363  3.850670526883  -0.463738955933  -0.178432158770  0.344353133127  0.002231369813  -0.000045201298  -0.003739053444
  16  Al  4.042009674947  0.110732493895  0.003699580066  -0.179183296588  -0.295463038297  0.203538558180  0.004315443380  0.004506909888  0.000877297399
  17  Al  3.826460268337  1.876988019551  1.956057141275  0.535529214803  0.273255857052  0.054501852828  -0.003654146374  -0.003537122080  -0.000675422653
  18  Al  5.980173866732  7.785107159353  1.866011597496  -0.382359166255  0.352688232392  0.451767180037  0.002108831513  -0.003740075873  -0.003808118673
  19  Al  5.934865363122  2.067599099730  7.754203449610  -0.226714058711  -0.557727865746  0.551876467691  0.000418878256  0.003071652713  -0.005082717311
  20  Al  3.966763853197  0.107458459052  3.952465704197  -0.166695137824  -0.488962886923  -0.010190737818  0.000806427001  0.003574968666  0.000260278890
  21  Al  3.964430942938  1.940836270452  5.944304544749  -0.031549287211  0.237960072741  0.084079972930  0.001201999874  -0.000730062963  0.001757022751
  22  Al  5.909870096492  0.018662875499  5.931391085981  -0.050056624340  0.142848672802  0.061979315360  0.000067158738  0.001583392403  0.001002016427
  23  Al  5.987080133690  1.986236352477  3.922709057385  -0.293436124221  -0.036551086981  0.203557636040  0.002750329435  0.000651530963  -0.000068520176
  24  Al  3.963975040542  3.924298823916  0.110127377843  0.045333201076  -0.051470191226  -0.594864136118  0.001423706483  -0.000946971712  0.003558812057
  25  Al  3.903021059732  6.011966035827  2.067598323873  0.316792037994  -0.250579138760  -0.404567652903  -0.000978395355  0.003984574752  0.003408933970
  26  Al  5.851986614940  4.021736666660  1.901992150571  0.201361768106  -0.234064644151  0.349203049288  -0.002234829068  0.003471893158  -0.002384713049
  27  Al  5.865481961884  5.951980600458  0.091011697921  0.013370206684  -0.284542292902  -0.608642441302  -0.001835437294  0.001241586739  0.002907680137
  28  Al  3.960354176054  3.984503499536  4.015792224611  -0.062817546632  -0.068217598388  -0.296202484282  0.000813170904  0.001913763474  0.002324739617
  29  Al  3.858050072219  5.937674763794  6.049748528599  0.505202282911  -0.104508702679  -0.357346486385  -0.002196408822  0.001013144598  0.005085248345
  30  Al  5.932747568219  3.845825716691  5.935029304544  -0.144856676241  0.539297849687  -0.210408205472  0.000857493306  -0.003243242668  0.000610527809
  31  Al  5.992399211847  5.872454922469  3.927759409613  -0.398933643929  0.211987117653  -0.091229789674  0.002913317761  -0.001153225998  -0.001207725433


MDSTEP:  47
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.869778776720  0.000000000000  0.000000000000
  0.000000000000  7.871250758191  0.000000000000
  0.000000000000  0.000000000000  7.879743694016
VIRIAL (kbar)
  -5.114402409401  -0.234678552625  0.341250917297
  -0.234678552625  -5.796703355090  -1.761966026586
  0.341250917297  -1.761966026586  2.789443403780
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.777983454800  7.842265204626  7.826245090496  0.443082088498  0.025827451860  -0.116367065569  -0.002942485077  -0.001194963849  -0.002849908583
  1  Al  7.830369416260  1.904326339838  1.878414605821  0.257453792028  0.261695466175  0.132766523548  -0.000961632254  -0.002162271170  -0.003810463980
  2  Al  1.912363684375  7.779921142477  1.925830890193  0.051166126030  0.480997223657  0.280613774426  -0.002191021134  -0.003243188416  -0.001214174717
  3  Al  1.906682855483  1.937121728610  7.852750434270  0.053688300329  -0.051040917596  -0.126240305337  -0.002541677477  -0.001497671387  -0.001897450233
  4  Al  0.023065655184  7.800408630917  4.073068216920  0.170491244614  0.235169571833  -0.708087300855  0.001595602025  -0.002717895821  0.004190228808
  5  Al  0.012753640855  1.964064694188  5.960314404351  -0.001760196295  -0.071412229331  -0.299005065650  0.000541252311  -0.000385185402  0.001551044958
  6  Al  1.938158949221  7.866245762906  5.891920765181  0.062949615427  0.177306703271  0.194945868879  -0.001381395730  0.000579737495  -0.000343946043
  7  Al  1.958113396595  1.983616527084  3.998708273834  -0.101258718183  -0.142033332558  -0.125693511271  -0.000661412588  0.000277827270  0.002539465494
  8  Al  7.830259341246  4.017445839494  7.761189072773  0.071488033783  -0.274899486207  0.477314019971  -0.001624316022  0.002860124168  -0.004158630332
  9  Al  0.029209614642  5.890655447294  1.965375118319  -0.078888546687  -0.043805317625  0.084878011121  0.001186396455  -0.000660962786  0.000175867567
  10  Al  2.018572053550  3.849342549831  1.963677646173  -0.325645901936  0.516516446348  0.307571845717  0.001542683034  -0.002099515834  0.000582547507
  11  Al  1.983691801379  5.934476135395  0.109652677285  -0.152946722312  -0.096677155690  -0.205748155553  0.000184234945  0.001248040716  0.004815612067
  12  Al  7.829060703184  3.968947674282  3.867896023263  0.452061293928  -0.203784936678  0.274390932321  -0.000590416939  0.001183708138  -0.002314333165
  13  Al  0.007561390298  5.870561598075  5.829828942877  -0.054198882430  0.017684458162  0.360873830772  0.000213562245  -0.001382601377  -0.002727649583
  14  Al  1.946442617841  3.892663578006  5.940992018224  -0.034255677500  -0.017336318206  -0.267489666257  -0.001245787136  -0.002292169674  0.000678067128
  15  Al  2.045562792510  5.912659603382  3.845373757794  -0.475471811455  -0.180889018368  0.369204456962  0.002149904412  -0.000077393952  -0.003679215323
  16  Al  4.040242795000  0.112866312882  0.004144052460  -0.191070976701  -0.314714173231  0.201672339334  0.004287250600  0.004457447076  0.000914477909
  17  Al  3.820949059942  1.873424144142  1.953973136416  0.545026099919  0.280652586786  0.061584231017  -0.003561661922  -0.003491591317  -0.000665759398
  18  Al  5.975416395008  7.775756350981  1.862459362005  -0.383354654677  0.376707089560  0.471556462357  0.002042745592  -0.003679078240  -0.003729591252
  19  Al  5.929313702029  2.067119222475  7.744754335318  -0.222605928484  -0.577273546922  0.585876691780  0.000379164601  0.002973614562  -0.004986369093
  20  Al  3.963315789306  0.109120775460  3.949061925203  -0.172159051544  -0.501886595125  -0.005354773446  0.000777036992  0.003490396443  0.000259165964
  21  Al  3.961188980867  1.938612986004  5.939872724200  -0.039889558850  0.242549471840  0.075907100196  0.001196981873  -0.000687910310  0.001773206894
  22  Al  5.904174674332  0.019443050095  5.926592287461  -0.053800741882  0.131144451019  0.058145420417  0.000057945324  0.001609699076  0.001013829827
  23  Al  5.982640718633  1.984647942446  3.919177017387  -0.296490266516  -0.039819202664  0.196060809763  0.002700700122  0.000645439448  -0.000032848557
  24  Al  3.960847817872  3.920044245656  0.111781902841  0.036964886925  -0.046148941157  -0.613775643782  0.001432693419  -0.000956779048  0.003454498076
  25  Al  3.898763878386  6.008158304350  2.067436441820  0.328458719995  -0.254957123297  -0.418820958710  -0.000921794371  0.003943878972  0.003338919733
  26  Al  5.845207424615  4.019589725487  1.899114929148  0.216563491449  -0.252350373216  0.364048283027  -0.002199996818  0.003432325623  -0.002323457990
  27  Al  5.858881008006  5.946857502368  0.092357103116  0.014327893234  -0.290756409969  -0.637231642413  -0.001835055068  0.001191536021  0.002799341260
  28  Al  3.956920336530  3.981620689686  4.013351370853  -0.067479794161  -0.071840967145  -0.298733861687  0.000802444090  0.001903408306  0.002274003526
  29  Al  3.853235828156  5.932459253802  6.046866972537  0.510457283589  -0.104481698480  -0.366285645817  -0.002108065133  0.000995600810  0.005025944731
  30  Al  5.927420942581  3.840524863022  5.930019322459  -0.150748173433  0.568574134100  -0.225104025936  0.000832030267  -0.003147826089  0.000572223620
  31  Al  5.988031430141  5.866233077046  3.923640032889  -0.412153266705  0.221282688859  -0.083472979322  0.002844091620  -0.001115779450  -0.001224640055


MDSTEP:  48
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.862156354649  0.000000000000  0.000000000000
  0.000000000000  7.863674425338  0.000000000000
  0.000000000000  0.000000000000  7.872727088941
VIRIAL (kbar)
  -1.972548615799  -0.231712736134  0.369908190139
  -0.231712736134  -2.685643853533  -1.789782364936
  0.369908190139  -1.789782364936  6.117764272572
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.768998364493  7.834120389777  7.817845842654  0.452616638313  0.025962969806  -0.112058101702  -0.002865752375  -0.001191699956  -0.002873399270
  1  Al  7.822315808184  1.901423823912  1.874842480031  0.256898572089  0.271955590603  0.139746334670  -0.000916730329  -0.002117012578  -0.003790177997
  2  Al  1.909418105898  7.770832467905  1.923521408745  0.050701879301  0.509793051804  0.287525268539  -0.002184431948  -0.003158276607  -0.001164659290
  3  Al  1.903567548088  1.934506003248  7.844803415153  0.058097938261  -0.049639580050  -0.115715574809  -0.002534604882  -0.001508392848  -0.001921128982
  4  Al  0.023848804198  7.791551923185  4.071504973137  0.166945340987  0.249047510383  -0.731290136230  0.001627623376  -0.002677695576  0.004065977450
  5  Al  0.013011859834  1.961978418023  5.955769208838  -0.005289896678  -0.069141725586  -0.309748295778  0.000541244935  -0.000398199252  0.001498258232
  6  Al  1.935593761685  7.858972063968  5.886510960759  0.075591771878  0.169416345919  0.202336383318  -0.001370593782  0.000611416145  -0.000308779334
  7  Al  1.955881569125  1.981839812464  3.996411810288  -0.101872602614  -0.142027351251  -0.138913579591  -0.000680344486  0.000252736116  0.002518522564
  8  Al  7.821866159642  4.014996826434  7.752219860801  0.072483665641  -0.282027766503  0.495691957873  -0.001613308055  0.002813582873  -0.004076060757
  9  Al  0.029771049907  5.884653033202  1.963716762257  -0.087228337508  -0.047325051514  0.080733204216  0.001172903311  -0.000669871562  0.000190869802
  10  Al  2.017373789080  3.844610658441  1.962234109731  -0.335416000001  0.516066148438  0.311794402484  0.001485326904  -0.002009555640  0.000638573401
  11  Al  1.981855751793  5.929383767520  0.111953864801  -0.149864957534  -0.105507377793  -0.229890430341  0.000157360330  0.001231384779  0.004781813691
  12  Al  7.821202681642  3.965710236431  3.863306801864  0.458701016118  -0.217675407886  0.277004720577  -0.000509628344  0.001147364161  -0.002267496133
  13  Al  0.007658435762  5.864220420591  5.823289883884  -0.057978401305  0.015472855618  0.375805605629  0.000203773811  -0.001381219158  -0.002664682997
  14  Al  1.943932874435  3.887769801639  5.936028908626  -0.025258562968  -0.005242377645  -0.273385540610  -0.001252545279  -0.002296814954  0.000630415002
  15  Al  2.044635329620  5.906921695493  3.840126325626  -0.483576013845  -0.186963238639  0.395543340296  0.002066592410  -0.000110387205  -0.003614759361
  16  Al  4.038464822608  0.114972537767  0.004606652924  -0.199202159656  -0.332321996160  0.198793491771  0.004257277168  0.004404675165  0.000951279982
  17  Al  3.815491568129  1.869887499929  1.951903041436  0.559670813246  0.292662929918  0.066955969715  -0.003466947145  -0.003444307407  -0.000654976341
  18  Al  5.970633129987  7.766449061231  1.858957020769  -0.387369846315  0.402841774487  0.489930838081  0.001976155878  -0.003613561396  -0.003647591527
  19  Al  5.923750407558  2.066590702494  7.735390701936  -0.221345972246  -0.592203175960  0.620344971743  0.000339889337  0.002872410358  -0.004883827359
  20  Al  3.959857906926  0.110738674401  3.945674794598  -0.173110798053  -0.512904304705  0.000242972628  0.000747047078  0.003403620932  0.000258986876
  21  Al  3.957949059233  1.936413859136  5.935473573103  -0.043982328414  0.251611200700  0.069263111239  0.001190857804  -0.000644495326  0.001788095077
  22  Al  5.898482646588  0.020235116458  5.921824445942  -0.060789634546  0.120326815537  0.055563686989  0.000047761842  0.001634037184  0.001025088897
  23  Al  5.978183344019  1.983058624345  3.915679476985  -0.302852361527  -0.038662172937  0.188290202921  0.002650198308  0.000639158572  0.000001495371
  24  Al  3.957729526711  3.915790582346  0.113382345843  0.033020375010  -0.042416118258  -0.633586147426  0.001440603429  -0.000965797203  0.003346632390
  25  Al  3.894541393793  6.004335983236  2.067246366747  0.344944369222  -0.263268971624  -0.434703313410  -0.000862619348  0.003902040924  0.003266157729
  26  Al  5.838455517831  4.017425782677  1.896278273733  0.228982267685  -0.273514350403  0.377307666429  -0.002162675698  0.003389218328  -0.002259639304
  27  Al  5.852289309158  5.941716291053  0.093646187386  0.012211509489  -0.301575443344  -0.667313931163  -0.001834794190  0.001139916453  0.002685657490
  28  Al  3.953486030131  3.978736830979  4.010901393928  -0.067027075142  -0.077335220811  -0.300130284940  0.000791336361  0.001892244698  0.002222877279
  29  Al  3.848472383425  5.927242247288  6.043979304784  0.520140793300  -0.108755314220  -0.373650291781  -0.002018304721  0.000977667061  0.004965153500
  30  Al  5.922089144955  3.835279582697  5.925014950905  -0.159986898918  0.597364337684  -0.238168977940  0.000805192844  -0.003047137937  0.000531399211
  31  Al  5.983635368834  5.860038585205  3.919530079719  -0.428855103267  0.225985414391  -0.074319523399  0.002772137716  -0.001077049143  -0.001240068520


MDSTEP:  49
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.854554206577  0.000000000000  0.000000000000
  0.000000000000  7.856117603099  0.000000000000
  0.000000000000  0.000000000000  7.865754162751
VIRIAL (kbar)
  1.200627256695  -0.225930210014  0.402342729090
  -0.225930210014  0.449438408388  -1.813041630801
  0.402342729090  -1.813041630801  9.468721306678
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.760073503414  7.825997221772  7.809479682398  0.466487343365  0.023547659905  -0.107971315975  -0.002786863613  -0.001188647272  -0.002896181653
  1  Al  7.814305252145  1.898550140163  1.871292894669  0.260918803121  0.278453391433  0.148191462689  -0.000871474948  -0.002070222518  -0.003768513397
  2  Al  1.906481779505  7.761808353210  1.921248194838  0.047109866972  0.536952890211  0.295386420078  -0.002178218018  -0.003068291085  -0.001113776239
  3  Al  1.900462106124  1.931890498707  7.836889395322  0.059696891167  -0.051685643701  -0.105191740495  -0.002527009883  -0.001519198277  -0.001942962102
  4  Al  0.024647091819  7.782736561231  4.069899322163  0.167300964910  0.261122462509  -0.754004105583  0.001659411305  -0.002635152374  0.003937509817
  5  Al  0.013269690101  1.959890791250  5.951229505578  -0.004514783831  -0.070357184170  -0.321847395383  0.000540996113  -0.000411137383  0.001443380567
  6  Al  1.933040195026  7.851733066898  5.881151875300  0.085516270443  0.158891860593  0.208731339690  -0.001357773301  0.000641489664  -0.000272343565
  7  Al  1.953645614245  1.980055341500  3.994125336226  -0.105648843341  -0.145189628876  -0.152005987202  -0.000699697214  0.000227336111  0.002495218748
  8  Al  7.813499477164  4.012532825203  7.743337592262  0.078657221174  -0.286461833412  0.513680017464  -0.001601660865  0.002765979835  -0.003990174129
  9  Al  0.030324873544  5.878660926049  1.962076536505  -0.091306276446  -0.047243867903  0.077333896070  0.001158294543  -0.000679104367  0.000205214537
  10  Al  2.016150879803  3.839934253856  1.960829393999  -0.348759027827  0.517276092703  0.317064457523  0.001425850585  -0.001919442630  0.000695512554
  11  Al  1.980011429682  5.924296794019  0.114235568853  -0.150066509046  -0.111048252786  -0.254818308783  0.000130713726  0.001213435577  0.004743618671
  12  Al  7.813405788366  3.962463285263  3.858763566450  0.470241565718  -0.229362338854  0.280019333689  -0.000427124770  0.001108701080  -0.002220118965
  13  Al  0.007750336814  5.857895046875  5.816816480682  -0.057194451365  0.017183668934  0.389807937979  0.000193707971  -0.001379892934  -0.002599076678
  14  Al  1.941425768507  3.882884987649  5.931074351359  -0.019381740506  0.009329803674  -0.280495852203  -0.001257992231  -0.002299101531  0.000581552030
  15  Al  2.043670101208  5.901181718589  3.834935222042  -0.495161863661  -0.189768469383  0.422733142328  0.001981441741  -0.000144213702  -0.003545467888
  16  Al  4.036679853975  0.117049750726  0.005087139983  -0.211624431250  -0.352865511801  0.195002363846  0.004225469598  0.004348470662  0.000987530811
  17  Al  3.810093625023  1.866381336668  1.949849700393  0.568939136827  0.300862681426  0.073653583136  -0.003370015610  -0.003395193188  -0.000643106068
  18  Al  5.965830815647  7.757196716506  1.855508451453  -0.387434875498  0.427219564253  0.509221394197  0.001909142320  -0.003543484261  -0.003562156582
  19  Al  5.918182632178  2.066014636171  7.726124986932  -0.216346863442  -0.611127905368  0.654319700360  0.000301131663  0.002768088040  -0.004775082752
  20  Al  3.956394829677  0.112311313299  3.942309601054  -0.178449685619  -0.526174008730  0.006768104357  0.000716466638  0.003314604594  0.000259893526
  21  Al  3.954715523335  1.934241970278  5.931113712169  -0.052953300474  0.256581208932  0.060952166870  0.001183569009  -0.000599781221  0.001801672424
  22  Al  5.892800399070  0.021038143071  5.917094522738  -0.064564918033  0.106775761246  0.051837316332  0.000036604154  0.001656238610  0.001035802046
  23  Al  5.973714558437  1.981470829862  3.912220494438  -0.305403994195  -0.041355198962  0.180961697443  0.002598865070  0.000632738993  0.000034525695
  24  Al  3.954624528080  3.911542752180  0.114927088855  0.023753521637  -0.036127281161  -0.653634908276  0.001447354024  -0.000973938223  0.003235105543
  25  Al  3.890359709056  6.000505388591  2.067029204441  0.356705828931  -0.268126261895  -0.449659619943  -0.000800857081  0.003859012888  0.003190578732
  26  Al  5.831738935050  4.015247672682  1.893485658737  0.244796704414  -0.292098041216  0.391820357843  -0.002122805769  0.003342537361  -0.002193281458
  27  Al  5.845713621507  5.936562967797  0.094876385070  0.013378965206  -0.308099564722  -0.697671872620  -0.001834634722  0.001086696706  0.002566461377
  28  Al  3.950056000391  3.975856107295  4.008447046535  -0.071727803220  -0.080685062308  -0.300972688944  0.000779843060  0.001880294656  0.002171509199
  29  Al  3.843765174050  5.922030315729  6.041092230306  0.524639767707  -0.109121200066  -0.382102257496  -0.001927190403  0.000959306729  0.004902912131
  30  Al  5.916758391138  3.830096936936  5.920022209647  -0.165772153361  0.627991495636  -0.252633587304  0.000776987864  -0.002941047245  0.000488071623
  31  Al  5.979216657468  5.853878734899  3.915435112435  -0.441831330475  0.234708713860  -0.064475051689  0.002697471307  -0.001037083291  -0.001253821778


MDSTEP:  50
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.846981655060  0.000000000000  0.000000000000
  0.000000000000  7.848589466249  0.000000000000
  0.000000000000  0.000000000000  7.858834409494
VIRIAL (kbar)
  4.395899917344  -0.221660876476  0.435573481379
  -0.221660876476  3.610303516661  -1.833423698414
  0.435573481379  -1.833423698414  12.834332234442
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.751219310361  7.817904616524  7.801156375063  0.477017790103  0.023784575118  -0.102606707619  -0.002705723820  -0.001185796100  -0.002918158688
  1  Al  7.806347380606  1.895708077062  1.867768834110  0.261187651583  0.288928960745  0.155152441049  -0.000825790559  -0.002021877680  -0.003745467359
  2  Al  1.903556632603  7.752860278712  1.919014265672  0.046477241123  0.566614153492  0.301926066372  -0.002172393193  -0.002973144839  -0.001061555935
  3  Al  1.897368911674  1.929277276943  7.829018756662  0.064420217131  -0.049932331992  -0.093233921064  -0.002518861895  -0.001530055442  -0.001962818246
  4  Al  0.025460593362  7.773972699755  4.068254166620  0.164248924419  0.275617505222  -0.777243878355  0.001691009118  -0.002590205727  0.003804813661
  5  Al  0.013527220364  1.957803990081  5.946701403029  -0.007486830278  -0.067662661011  -0.332365970026  0.000540555063  -0.000423961730  0.001386428098
  6  Al  1.930501422750  7.844537007611  5.875851180223  0.098521118318  0.150399698686  0.216410908683  -0.001342898314  0.000669902476  -0.000234610883
  7  Al  1.951407506569  1.978265143071  3.991852520708  -0.106184859401  -0.144869945822  -0.166161051747  -0.000719464152  0.000201654339  0.002469465763
  8  Al  7.805169109720  4.010058139724  7.734553196371  0.080992798289  -0.293917162500  0.532647077136  -0.001589252513  0.002717281809  -0.003900910240
  9  Al  0.030870763516  5.872685993038  1.960456508441  -0.098730111245  -0.050849001212  0.072314974368  0.001142649711  -0.000688668919  0.000218822893
  10  Al  2.014904530008  3.835317924118  1.959466347889  -0.358492359831  0.515585992857  0.320329890957  0.001364252832  -0.001829284578  0.000753280499
  11  Al  1.978161165508  5.919221644777  0.116495734641  -0.146854067333  -0.120278184401  -0.279567286212  0.000104306514  0.001194154703  0.004700964070
  12  Al  7.805680333557  3.959210407442  3.854271230037  0.477519072283  -0.243879430461  0.282075660504  -0.000342845390  0.001067658704  -0.002172248761
  13  Al  0.007837173119  5.851592461808  5.810416990508  -0.059645344982  0.015072692674  0.405149180714  0.000183482935  -0.001378612798  -0.002530788478
  14  Al  1.938924120631  3.878014957640  5.926134869947  -0.010215896450  0.021875929019  -0.285886529040  -0.001262110590  -0.002298984697  0.000531521094
  15  Al  2.042668502716  5.895446309460  3.829807483565  -0.503285338946  -0.195799315313  0.449237408563  0.001894445617  -0.000178871044  -0.003471317482
  16  Al  4.034891595526  0.119096276071  0.005585192397  -0.221621680935  -0.370647107853  0.191745531185  0.004191655289  0.004288810058  0.001023195694
  17  Al  3.804760567451  1.862908548662  1.947816061296  0.581689377020  0.313408898088  0.078934131355  -0.003271030088  -0.003344195392  -0.000630154950
  18  Al  5.961016533783  7.748010537959  1.852117596556  -0.390272009900  0.454246836885  0.527343240206  0.001841807254  -0.003468758024  -0.003473301684
  19  Al  5.912617845531  2.065391753466  7.716969523538  -0.213953118776  -0.625713439425  0.689597282551  0.000262992689  0.002660670993  -0.004660051411
  20  Al  3.952930778141  0.113837651156  3.938971688560  -0.180600476061  -0.536488817086  0.012466517744  0.000685186674  0.003223403826  0.000261895909
  21  Al  3.951492272410  1.932100022757  5.926799573529  -0.058678771660  0.265561310737  0.053878663588  0.001174967123  -0.000553772575  0.001813897941
  22  Al  5.887134587636  0.021850956323  5.912409336297  -0.071252562740  0.095582470076  0.049069860489  0.000024497852  0.001676266551  0.001045951438
  23  Al  5.969241236899  1.979886635990  3.908804140010  -0.311034466996  -0.040040373518  0.172434654193  0.002546762131  0.000626194115  0.000066173697
  24  Al  3.951536697761  3.907305878129  0.116414494804  0.017724308908  -0.032527992029  -0.672727876393  0.001452756481  -0.000981212523  0.003119974086
  25  Al  3.886224493392  5.996673115983  2.066786132251  0.371775414975  -0.276556700878  -0.466019838212  -0.000736629561  0.003814779456  0.003112133734
  26  Al  5.825066000994  4.013058441618  1.890740654962  0.257820736896  -0.314121536403  0.404862706404  -0.002080327717  0.003292198573  -0.002124398740
  27  Al  5.839160975201  5.931403884769  0.096045107005  0.011841528213  -0.318842057850  -0.727545195920  -0.001834523699  0.001031880065  0.002441762385
  28  Al  3.946634519625  3.972982873980  4.005993104884  -0.072645210992  -0.086943361471  -0.302500225388  0.000767840420  0.001867487421  0.002119885104
  29  Al  3.839119159739  5.916830347246  6.038212320116  0.532305519815  -0.113323911516  -0.389118514090  -0.001834898100  0.000940524672  0.004839245899
  30  Al  5.911435189192  3.824984126743  5.915046951138  -0.174531785048  0.656495462902  -0.265561745465  0.000747455540  -0.002829569437  0.000442249524
  31  Al  5.974781244135  5.847761139149  3.911360725419  -0.458056807500  0.239218844239  -0.055037456530  0.002620128612  -0.000995896256  -0.001265871848


MDSTEP:  51
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.839447970431  0.000000000000  0.000000000000
  0.000000000000  7.841099146207  0.000000000000
  0.000000000000  0.000000000000  7.851977242507
VIRIAL (kbar)
  7.611423783765  -0.214349940757  0.470589734714
  -0.214349940757  6.787211858481  -1.848513105102
  0.470589734714  -1.848513105102  16.213176596724
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.742445871206  7.809851682200  7.792885715634  0.489998285946  0.022491572144  -0.096621354055  -0.002622406770  -0.001183045432  -0.002939157808
  1  Al  7.798451438099  1.892900766063  1.864273125845  0.264054338223  0.296085887513  0.164121179535  -0.000779778515  -0.001971915117  -0.003720988624
  2  Al  1.900644841413  7.743999902912  1.916822499865  0.043623879175  0.595333147071  0.310004510192  -0.002166890249  -0.002872688788  -0.001007976192
  3  Al  1.894290610044  1.926668726618  7.821201925913  0.067328678524  -0.051192943821  -0.080679879844  -0.002510041247  -0.001540893290  -0.001980512467
  4  Al  0.026289082113  7.765270663945  4.066572323740  0.163348589478  0.289074583609  -0.800825923904  0.001722303595  -0.002542726701  0.003667802651
  5  Al  0.013784205002  1.955720528723  5.942191090953  -0.007910768703  -0.067965357127  -0.344696100918  0.000539813919  -0.000436590442  0.001327376328
  6  Al  1.927980879330  7.837392261501  5.870616601725  0.109654307095  0.140415769894  0.222470758100  -0.001325857118  0.000696701025  -0.000195609301
  7  Al  1.949169496095  1.976471546369  3.989596899827  -0.108792565458  -0.147329185099  -0.180873552588  -0.000739541083  0.000175752793  0.002441114000
  8  Al  7.796884476093  4.007576784847  7.725877606244  0.086408322469  -0.299663261117  0.551825127404  -0.001576148605  0.002667367503  -0.003808155264
  9  Al  0.031408099818  5.866734738258  1.958858580951  -0.103705459472  -0.051223295313  0.068718179825  0.001125886276  -0.000698606040  0.000231676388
  10  Al  2.013636254320  3.830765975287  1.958147622915  -0.370531426497  0.514678184785  0.325197995632  0.001300645836  -0.001739268114  0.000811842234
  11  Al  1.976307581642  5.914164388525  0.118732328032  -0.145916817264  -0.126593850921  -0.304097024278  0.000078240333  0.001173470171  0.004653876849
  12  Al  7.798036195019  3.955954915561  3.849834577905  0.487673729707  -0.257003097017  0.283864278015  -0.000256910463  0.001024104334  -0.002123992595
  13  Al  0.007918735229  5.845319274337  5.804099728092  -0.059442900408  0.016310788915  0.418786524587  0.000173046201  -0.001377420133  -0.002459845616
  14  Al  1.936431030782  3.873165327632  5.921217080797  -0.003151495493  0.035796242242  -0.293042997462  -0.001264791762  -0.002296518410  0.000480315902
  15  Al  2.041632227049  5.889721783226  3.824750042471  -0.513804039595  -0.198976607775  0.475637416144  0.001805694581  -0.000214393938  -0.003392370262
  16  Al  4.033103949061  0.121110689427  0.006100538543  -0.234167203423  -0.390258482981  0.188443429602  0.004155817395  0.004225768809  0.001058317368
  17  Al  3.799498014859  1.859472404532  1.945804924818  0.591076257740  0.322709532566  0.086094888064  -0.003169973660  -0.003291210233  -0.000616079804
  18  Al  5.956197080517  7.738901937197  1.848788271503  -0.390193058965  0.480281608429  0.546995249509  0.001774160786  -0.003389225454  -0.003380987385
  19  Al  5.907063244979  2.064723163072  7.707936677522  -0.208917952443  -0.643549051503  0.725019300866  0.000225475549  0.002550249438  -0.004538592531
  20  Al  3.949470232155  0.115316913805  3.935666287258  -0.185252492438  -0.548027018930  0.018170250499  0.000653266816  0.003130167260  0.000264921575
  21  Al  3.948283471002  1.929991067600  5.922537641757  -0.067502904477  0.271073832036  0.044678835394  0.001165062787  -0.000506418203  0.001824689476
  22  Al  5.881491568405  0.022672595673  5.907775731679  -0.075681089721  0.082638582211  0.044531546919  0.000011383174  0.001694171994  0.001055463189
  23  Al  5.964769942416  1.978308467880  3.905434337061  -0.314077734302  -0.042051882781  0.163516005571  0.002493841981  0.000619584223  0.000096295921
  24  Al  3.948470176700  3.903084819736  0.117843013563  0.008446009315  -0.027465923898  -0.691185838815  0.001456807280  -0.000987728289  0.003001372981
  25  Al  3.882141685826  5.992845413185  2.066518184024  0.383897499945  -0.281898213880  -0.480841973038  -0.000669900070  0.003769292587  0.003030828585
  26  Al  5.818444749913  4.010860809647  1.888046680393  0.273215175865  -0.334525117417  0.419599075073  -0.002035273913  0.003238031844  -0.002052966168
  27  Al  5.832638117074  5.926244984923  0.097149807766  0.012716852313  -0.325938431573  -0.756759667042  -0.001834486032  0.000975411866  0.002311653791
  28  Al  3.943226173028  3.970121206834  4.003544245174  -0.076785925769  -0.092022743550  -0.304291846842  0.000755377208  0.001853665806  0.002067917756
  29  Al  3.834539556319  5.911648855339  6.035346217644  0.536776601880  -0.114168307326  -0.397741802098  -0.001741426125  0.000921276644  0.004774133804
  30  Al  5.906125742535  3.819948139980  5.910095104251  -0.180854287841  0.685824552389  -0.280251909044  0.000716545254  -0.002712810573  0.000393909246
  31  Al  5.970334749285  5.841693001199  3.907312434663  -0.471530405407  0.247138488223  -0.045764681003  0.002540058908  -0.000953557142  -0.001276267234


MDSTEP:  52
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.831962362594  0.000000000000  0.000000000000
  0.000000000000  7.833655701049  0.000000000000
  0.000000000000  0.000000000000  7.845191988678
VIRIAL (kbar)
  10.842399189157  -0.208014280541  0.507985442840
  -0.208014280541  9.979534134308  -1.859113337176
  0.507985442840  -1.859113337176  19.595705995999
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.733763428697  7.801847315494  7.784677464321  0.500474763871  0.021533103832  -0.090507248362  -0.002536911665  -0.001180501486  -0.002959109021
  1  Al  7.790626840791  1.890131022236  1.860808751416  0.263989233032  0.304818923095  0.171843640174  -0.000733467070  -0.001920486722  -0.003695004677
  2  Al  1.897748365907  7.735238725380  1.914675891936  0.042879590737  0.624308290085  0.316912133027  -0.002161717985  -0.002766974625  -0.000953001431
  3  Al  1.891229666268  1.924066946612  7.813449294088  0.072441894739  -0.050937539452  -0.067976593275  -0.002500510419  -0.001551844931  -0.001995974491
  4  Al  0.027132526353  7.756640610820  4.064856538325  0.159755299135  0.302726417411  -0.823731164123  0.001753245259  -0.002492785331  0.003526498213
  5  Al  0.014040626821  1.953642634381  5.937704532611  -0.011088850631  -0.066537067028  -0.355765180957  0.000538753517  -0.000449136461  0.001266172272
  6  Al  1.925481815587  7.830306998464  5.865455656961  0.123162683177  0.130135858078  0.229551031598  -0.001306600955  0.000721723456  -0.000155390559
  7  Al  1.946933631241  1.974676613563  3.987361918804  -0.109107712663  -0.148433153864  -0.195331887752  -0.000759908413  0.000149503351  0.002410131529
  8  Al  7.788655208292  4.005092893760  7.717321684938  0.089077040549  -0.305930463933  0.570790142464  -0.001562317245  0.002616339227  -0.003711902078
  9  Al  0.031936482389  5.860813898605  1.957284762934  -0.111176640544  -0.053049584682  0.063775819685  0.001107997659  -0.000708756735  0.000243781000
  10  Al  2.012347346560  3.826282746203  1.956875994404  -0.380111490149  0.513075607396  0.328364505449  0.001235039086  -0.001649383026  0.000871189720
  11  Al  1.974453081629  5.909131300467  0.120943338839  -0.142449206246  -0.134389641187  -0.329576382927  0.000052537959  0.001151507523  0.004602283152
  12  Al  7.790483448560  3.952700210427  3.845458326656  0.494635929794  -0.270446760496  0.285882323103  -0.000169344763  0.000978129695  -0.002075351547
  13  Al  0.007995050932  5.839082336197  5.797872789636  -0.061605560472  0.016073208418  0.433420312011  0.000162423026  -0.001376146531  -0.002386306119
  14  Al  1.933949394432  3.868341797281  5.916327377112  0.006220534149  0.049970185063  -0.298790184089  -0.001266014787  -0.002291552744  0.000427902494
  15  Al  2.040562738523  5.884014654178  3.819769776279  -0.521796125065  -0.203160396096  0.502659257650  0.001715195735  -0.000250618582  -0.003308571618
  16  Al  4.031320562779  0.123091406550  0.006632904671  -0.245156161648  -0.409634613319  0.184415440863  0.004117861433  0.004159196540  0.001092825828
  17  Al  3.794311253679  1.856075861567  1.943819237714  0.602933287736  0.333756336691  0.092154574832  -0.003066920079  -0.003236366502  -0.000600809153
  18  Al  5.951379468400  7.729882161404  1.845524404915  -0.391840823928  0.506784724520  0.565676217821  0.001706306698  -0.003304924329  -0.003285156705
  19  Al  5.901526218394  2.064009665718  7.699038738477  -0.205416311376  -0.659206303945  0.760502520356  0.000188679353  0.002436720585  -0.004410676445
  20  Al  3.946017417974  0.116748219673  3.932398584960  -0.187513083374  -0.559101182147  0.024380971617  0.000620695556  0.003034821064  0.000269017302
  21  Al  3.945092977620  1.927917827802  5.918334148787  -0.074135346605  0.277979495975  0.036333168815  0.001153772390  -0.000457901024  0.001833930484
  22  Al  5.875877853872  0.023501946282  5.903200332191  -0.082163240701  0.069476745802  0.040599435124  -0.000002722892  0.001709775515  0.001064231767
  23  Al  5.960307426134  1.976738435596  3.902114931368  -0.319144438537  -0.042469731825  0.154484602222  0.002440151575  0.000612753734  0.000124845790
  24  Al  3.945428786952  3.898884529404  0.119211152796  0.001298590955  -0.022659746970  -0.709857486117  0.001459403868  -0.000993376118  0.002879332968
  25  Al  3.878116932094  5.989028752699  2.066226511315  0.398316894770  -0.288550122724  -0.496639639374  -0.000600722353  0.003722706697  0.002946707635
  26  Al  5.811883381033  4.008657607756  1.885407281965  0.286851628724  -0.355867206657  0.433086863518  -0.001987584466  0.003180090653  -0.001978939044
  27  Al  5.826151962063  5.921092482240  0.098188000724  0.011825066321  -0.334751333550  -0.786501824044  -0.001834462795  0.000917461259  0.002176138656
  28  Al  3.939835228111  3.967275252265  4.001105078142  -0.078243712024  -0.097548169067  -0.305483240658  0.000742403838  0.001838892735  0.002015634932
  29  Al  3.830031263275  5.906492599457  6.032500362060  0.543302481747  -0.116448915399  -0.405335248517  -0.001646872439  0.000901733127  0.004707518701
  30  Al  5.900836427430  3.814996000713  5.905172374902  -0.189090500397  0.715038372953  -0.293654407077  0.000684301244  -0.002590697363  0.000343004912
  31  Al  5.965882995712  5.835681773766  3.903295696563  -0.487125715076  0.253444663024  -0.035682473056  0.002457312399  -0.000909902650  -0.001284947668


MDSTEP:  53
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.824533965193  0.000000000000  0.000000000000
  0.000000000000  7.826268111625  0.000000000000
  0.000000000000  0.000000000000  7.838487860819
VIRIAL (kbar)
  14.083352845912  -0.200503617932  0.546913983701
  -0.200503617932  13.178153730734  -1.865901127003
  0.546913983701  -1.865901127003  22.982518779059
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.725181924204  7.793900364444  7.776541275171  0.514278685293  0.020022320229  -0.084208857858  -0.002449159376  -0.001178183180  -0.002977981291
  1  Al  7.782882666517  1.887401781075  1.857378549110  0.267477341392  0.310837056882  0.181924474656  -0.000686799147  -0.001867690654  -0.003667411660
  2  Al  1.894869333067  7.726588190432  1.912577303507  0.039904142559  0.653339884565  0.325442898817  -0.002156886184  -0.002655964887  -0.000896588601
  3  Al  1.888188720697  1.921474150014  7.805771149035  0.076074305938  -0.052866401369  -0.055209510030  -0.002490201993  -0.001562969418  -0.002009181560
  4  Al  0.027990656259  7.748092635772  4.063109559050  0.159268754973  0.316525365130  -0.846546856150  0.001783869953  -0.002440345799  0.003380960722
  5  Al  0.014296222994  1.951572668948  5.933247718327  -0.010859708942  -0.067432676552  -0.368913299783  0.000537431521  -0.000461652613  0.001202739082
  6  Al  1.923007674558  7.823289285925  5.860375869548  0.134768894860  0.119372210324  0.234964949581  -0.001285083744  0.000744897808  -0.000114010699
  7  Al  1.944702145018  1.972882508327  3.985150990334  -0.111641242041  -0.151555433748  -0.209896963421  -0.000780559622  0.000122845822  0.002376526772
  8  Al  7.780490614951  4.002610516450  7.708896160728  0.095989005212  -0.311524739822  0.589239578543  -0.001547622465  0.002564206818  -0.003612208758
  9  Al  0.032455288949  5.854930022229  1.955736915001  -0.115328423671  -0.052153129557  0.060445815778  0.001089055204  -0.000719007263  0.000255159696
  10  Al  2.011039301434  3.821872474780  1.955654059363  -0.391703747223  0.511133609482  0.333210658074  0.001167468441  -0.001559719633  0.000931321695
  11  Al  1.972600275757  5.904128466421  0.123126675611  -0.141014788161  -0.139922319237  -0.355355815694  0.000027243904  0.001128334231  0.004546062716
  12  Al  7.783031809874  3.949449625764  3.841147155283  0.505393547707  -0.283795528477  0.288138515481  -0.000080091096  0.000929710511  -0.002026281580
  13  Al  0.008065936567  5.832888307719  5.791744274070  -0.060094348723  0.018538994907  0.446312114420  0.000151730006  -0.001374681156  -0.002310231645
  14  Al  1.931482292843  3.863550047874  5.911472191738  0.013751210813  0.064380320163  -0.306318441545  -0.001265735392  -0.002284039369  0.000374245610
  15  Al  2.039461708474  5.878331287695  3.814873559568  -0.532149732478  -0.205237013527  0.529953951506  0.001622959369  -0.000287447693  -0.003219833316
  16  Al  4.029545189927  0.125036867596  0.007181954090  -0.259572042317  -0.429647779383  0.179880592545  0.004077614287  0.004089049486  0.001126609643
  17  Al  3.789205751478  1.852722011247  1.941861819531  0.610486000745  0.342455766638  0.099983048355  -0.002962027558  -0.003179712897  -0.000584281437
  18  Al  5.946570499141  7.720962420428  1.842329808857  -0.390521801151  0.533207064073  0.585692434137  0.001638353583  -0.003215811006  -0.003185770246
  19  Al  5.896013958921  2.063252238075  7.690287885779  -0.199584344362  -0.677631059028  0.795424894296  0.000152675594  0.002320024873  -0.004276336795
  20  Al  3.942576737584  0.118130730260  3.929173758182  -0.193215655317  -0.570222978370  0.031068461213  0.000587377279  0.002937396669  0.000274272101
  21  Al  3.941924809645  1.925883132049  5.914195319494  -0.084759857753  0.282404282548  0.025980239307  0.001140932307  -0.000408315984  0.001841514932
  22  Al  5.870299715423  0.024337875990  5.898689731095  -0.086347821604  0.055834227470  0.034855318033  -0.000017799890  0.001723011009  0.001072147836
  23  Al  5.955860202930  1.975178772934  3.898849702344  -0.321363010674  -0.045540426825  0.145658433282  0.002385761386  0.000605607145  0.000151829984
  24  Al  3.942416504628  3.894709896832  0.120517401252  -0.010269856405  -0.017571369167  -0.728239389101  0.001460338715  -0.000998152064  0.002753854201
  25  Al  3.874156045906  5.985229435334  2.065912151092  0.408771615820  -0.292884904939  -0.510946775217  -0.000529241297  0.003675107453  0.002859811215
  26  Al  5.805389877918  4.006451546800  1.882825866124  0.302464767848  -0.376614896227  0.448309791863  -0.001937234691  0.003118336874  -0.001902269095
  27  Al  5.819709207769  5.915952379209  0.099157151147  0.013117452607  -0.340316752850  -0.815689332374  -0.001834415461  0.000858162025  0.002035210975
  28  Al  3.936466154708  3.964449079986  3.998680212077  -0.084012461729  -0.103091439572  -0.306381286234  0.000728773394  0.001823124180  0.001963114437
  29  Al  3.825599325569  5.901368153395  6.029681202502  0.545507070221  -0.116198511069  -0.414483592933  -0.001551436088  0.000881990837  0.004639348241
  30  Al  5.895573391989  3.810134683687  5.900284497699  -0.194992639551  0.743754908141  -0.308992195983  0.000650758626  -0.002463274871  0.000289475175
  31  Al  5.961431560526  5.829734707254  3.899315981308  -0.499821313886  0.262401349163  -0.025303853568  0.002371952709  -0.000864837254  -0.001291811539


MDSTEP:  54
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.817171818574  0.000000000000  0.000000000000
  0.000000000000  7.818945254818  0.000000000000
  0.000000000000  0.000000000000  7.831873958880
VIRIAL (kbar)
  17.324506799415  -0.192758068735  0.589070810361
  -0.192758068735  16.385340968204  -1.867382697186
  0.589070810361  -1.867382697186  26.361283741162
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.716711502532  7.786019522525  7.768486702266  0.522791283844  0.018753690571  -0.077283463452  -0.002359320170  -0.001176117739  -0.002995698974
  1  Al  7.775228217729  1.884715708605  1.853985536676  0.265425176849  0.321753455333  0.188645584960  -0.000639951030  -0.001813328110  -0.003638294737
  2  Al  1.892009644783  7.718059643296  1.910529713572  0.039364871349  0.681554775354  0.331277173402  -0.002152375423  -0.002539718180  -0.000838831188
  3  Al  1.885170255476  1.918892326732  7.798177669058  0.081458916814  -0.050336018013  -0.041533802907  -0.002479088986  -0.001574062593  -0.002020042948
  4  Al  0.028863482381  7.739636742043  4.061334086077  0.153548855097  0.329533082167  -0.868656446269  0.001813986269  -0.002385460525  0.003231253542
  5  Al  0.014551035846  1.949512759806  5.928826367563  -0.016340347654  -0.063687406407  -0.378775199298  0.000535641276  -0.000473931465  0.001137181096
  6  Al  1.920561705039  7.816347045322  5.855384530395  0.148184291738  0.108303135887  0.242758404646  -0.001261309989  0.000766151121  -0.000071404325
  7  Al  1.942477047473  1.971091187417  3.982967462758  -0.111632309464  -0.150636263152  -0.224652883329  -0.000801465796  0.000095960277  0.002340268429
  8  Al  7.772400289388  4.000133712594  7.700611601640  0.097110527015  -0.317831823718  0.608350437934  -0.001532200429  0.002510963086  -0.003509055445
  9  Al  0.032964194734  5.849089821732  1.954217014221  -0.124647463062  -0.055968038243  0.054343528990  0.001068891402  -0.000729535302  0.000265707824
  10  Al  2.009713410215  3.817539316940  1.954484539217  -0.400817023258  0.509220200010  0.334446890156  0.001097971701  -0.001470303849  0.000992066095
  11  Al  1.970751568731  5.899162097197  0.125280223385  -0.137487637289  -0.149799139312  -0.380946684257  0.000002363647  0.001103761685  0.004485197087
  12  Al  7.775691242570  3.946206451629  3.836905706708  0.509664748737  -0.296811787652  0.289772003226  0.000010612996  0.000878880899  -0.001976814958
  13  Al  0.008131536864  5.826744011535  5.785722039421  -0.063582715373  0.016535621318  0.461472799754  0.000140848236  -0.001373180838  -0.002231570265
  14  Al  1.929032617996  3.858795727669  5.906657712695  0.022834058737  0.079231138816  -0.310643956263  -0.001263976814  -0.002273913157  0.000319470472
  15  Al  2.038330573538  5.872678158419  3.810068233766  -0.539826846393  -0.210838352789  0.556404142139  0.001529009361  -0.000325009080  -0.003126198364
  16  Al  4.027781234297  0.126945458414  0.007747306788  -0.269507040816  -0.449081387776  0.175644548564  0.004035164302  0.004015314749  0.001159648851
  17  Al  3.784186543396  1.849413707164  1.939935619555  0.623194319298  0.355653372491  0.105132520056  -0.002855214485  -0.003121052111  -0.000566576201
  18  Al  5.941777170077  7.712153811666  1.839208385698  -0.391415527770  0.559131952831  0.602999533614  0.001570366838  -0.003121928303  -0.003082944248
  19  Al  5.890533797494  2.062451583156  7.681696134725  -0.195098101129  -0.690549072432  0.830727832104  0.000117552741  0.002200400599  -0.004135578966
  20  Al  3.939152238507  0.119463603682  3.925996970098  -0.193948350697  -0.580901478317  0.037083521074  0.000553446964  0.002837923870  0.000280669587
  21  Al  3.938782581832  1.923889561934  5.910127116733  -0.090056773908  0.290835488442  0.018165884273  0.001126659245  -0.000357524455  0.001847487333
  22  Al  5.864763559491  0.025179211700  5.894250276305  -0.092360757288  0.042395641615  0.031513668809  -0.000033807181  0.001733849980  0.001079262601
  23  Al  5.951434973795  1.973631450995  3.895642392107  -0.326046105402  -0.043753936791  0.136273178959  0.002330702632  0.000598340785  0.000177215198
  24  Al  3.939436865508  3.890565783830  0.121760273352  -0.016415520162  -0.012692576211  -0.745876868335  0.001459698497  -0.001002048019  0.002625022794
  25  Al  3.870264440913  5.981453893873  2.065576246193  0.424154572227  -0.301293465043  -0.527353654030  -0.000455366724  0.003626333549  0.002770079331
  26  Al  5.798972329913  4.004245340593  1.880305966151  0.316552881513  -0.397855751797  0.460781929657  -0.001884179106  0.003052772252  -0.001823042523
  27  Al  5.813316675052  5.910830890221  0.100054772457  0.012967834029  -0.350828937492  -0.844476897807  -0.001834276396  0.000797359250  0.001888947970
  28  Al  3.933122991078  3.961646707666  3.996274225842  -0.083655564151  -0.108727349018  -0.307811349352  0.000714646768  0.001806347706  0.001910333020
  29  Al  3.821248355548  5.896282239744  6.026894967645  0.552771114666  -0.120189585308  -0.421245621455  -0.001455047769  0.000861895716  0.004569691547
  30  Al  5.890342922977  3.805371067600  5.895436948531  -0.202433568901  0.772625920457  -0.321171215731  0.000615986145  -0.002330564256  0.000233426074
  31  Al  5.956986210798  5.823859211184  3.895378727670  -0.514751799195  0.266254894181  -0.015365539832  0.002284033557  -0.000818577541  -0.001296868896


MDSTEP:  55
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.809884841768  0.000000000000  0.000000000000
  0.000000000000  7.811695908774  0.000000000000
  0.000000000000  0.000000000000  7.825359236360
VIRIAL (kbar)
  20.569077838353  -0.183198604594  0.632186785183
  -0.183198604594  19.585024490347  -1.865367157175
  0.632186785183  -1.865367157175  29.732745570661
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.708361714037  7.778213404906  7.760523206037  0.537010759564  0.017254968277  -0.070273710406  -0.002267351842  -0.001174303621  -0.003012195283
  1  Al  7.767672180788  1.882075883479  1.850632392349  0.269138133270  0.328169163917  0.198215370045  -0.000592901452  -0.001757359887  -0.003607695414
  2  Al  1.889171388359  7.709664257654  1.908535824316  0.036008238342  0.710018169942  0.339179788810  -0.002148218733  -0.002418276149  -0.000779783075
  3  Al  1.882176876898  1.916323838726  7.790678965073  0.084849252572  -0.051660094100  -0.028148401338  -0.002467190356  -0.001585069453  -0.002028499492
  4  Al  0.029750549962  7.731282762241  4.059532808225  0.153159135192  0.343069358304  -0.890591032142  0.001843601417  -0.002328147954  0.003077448072
  5  Al  0.014804597702  1.947465423778  5.924446382921  -0.015990912088  -0.063908323435  -0.391240086491  0.000533392615  -0.000485912225  0.001069556037
  6  Al  1.918147286617  7.809488073280  5.850489034440  0.159089483635  0.097359662411  0.248295175947  -0.001235338615  0.000785464782  -0.000027558853
  7  Al  1.940260544301  1.969304943678  3.980814595265  -0.114472881201  -0.153476387760  -0.239163353915  -0.000822654421  0.000068871314  0.002301356756
  8  Al  7.764393184801  3.997666430152  7.692478488063  0.104736713794  -0.323725434826  0.626765168950  -0.001515985211  0.002456577733  -0.003402438644
  9  Al  0.033462413570  5.843299513448  1.952726753751  -0.128177566575  -0.055333319451  0.050419709869  0.001047559484  -0.000740364256  0.000275371231
  10  Al  2.008371154818  3.813287382313  1.953369798670  -0.412698978511  0.506651691262  0.337864714851  0.001026519158  -0.001381190051  0.001053295466
  11  Al  1.968909521407  5.894237941732  0.127401886490  -0.136615649182  -0.155651138167  -0.406507530165  -0.000022152909  0.001077758675  0.004419697475
  12  Al  7.768471011354  3.942973958104  3.832738494547  0.520074638384  -0.309893856842  0.291878137355  0.000102739150  0.000825660704  -0.001926963132
  13  Al  0.008191549472  5.820655795274  5.779814036871  -0.061323621680  0.018962711417  0.474169917392  0.000129844177  -0.001371648111  -0.002150334710
  14  Al  1.926603369109  3.854084472887  5.901890303235  0.029531647014  0.093631835812  -0.317331844220  -0.001260810966  -0.002261170289  0.000263650554
  15  Al  2.037170978447  5.867061350588  3.805360491324  -0.550717648067  -0.212700122708  0.583032883149  0.001433293564  -0.000363284625  -0.003027718451
  16  Al  4.026032442537  0.128815619065  0.008328611468  -0.285216398889  -0.468906464105  0.170853906407  0.003990390041  0.003938001496  0.001191919149
  17  Al  3.779259064654  1.846154178510  1.938043310938  0.629190332055  0.364745158837  0.112489600521  -0.002746614764  -0.003060344012  -0.000547733860
  18  Al  5.937006189638  7.703467288362  1.836163759046  -0.388521638494  0.585277904033  0.622224393809  0.001502485520  -0.003023292210  -0.002976743201
  19  Al  5.885092853026  2.061608871042  7.673275388325  -0.187621892548  -0.707729628267  0.865098045401  0.000083458459  0.002077952801  -0.003988441910
  20  Al  3.935748351601  0.120746038304  3.922873250996  -0.200386981887  -0.591452160966  0.043684043774  0.000518837298  0.002736448377  0.000288203083
  21  Al  3.935670325291  1.921940033386  5.906135622344  -0.101778632346  0.295188348755  0.007888197811  0.001110852436  -0.000305530622  0.001851851460
  22  Al  5.859275537626  0.026024800544  5.889888421865  -0.095373505077  0.028684022415  0.025684119376  -0.000050641210  0.001742282424  0.001085566866
  23  Al  5.947038129368  1.972098850894  3.892496620465  -0.327043784599  -0.046296149035  0.127270495272  0.002275081598  0.000591001324  0.000200983889
  24  Al  3.936493830902  3.886456982981  0.122938348865  -0.029289503865  -0.007868944296  -0.763329773551  0.001457363590  -0.001005086032  0.002492915825
  25  Al  3.866447912104  5.977708125522  2.065219715149  0.433056359840  -0.305613381447  -0.541697791495  -0.000379233566  0.003576382066  0.002677503313
  26  Al  5.792638598530  4.002041611063  1.877850833349  0.333096247433  -0.418601432956  0.475420088907  -0.001828329445  0.002983389746  -0.001741307252
  27  Al  5.806980963058  5.905733712756  0.100878411459  0.015581233236  -0.356391924816  -0.872642348646  -0.001833926128  0.000735050155  0.001737433267
  28  Al  3.929810262796  3.958872096802  3.993891577765  -0.089950625861  -0.114605064654  -0.308725011600  0.000699975664  0.001788530864  0.001857287489
  29  Al  3.816983358172  5.891241128295  6.024147991901  0.553407245525  -0.120034572865  -0.430043728928  -0.001357844623  0.000841438033  0.004498574977
  30  Al  5.885151078346  3.800711996398  5.890635374490  -0.206919958840  0.800289413708  -0.335750324040  0.000580108184  -0.002192650417  0.000174922285
  31  Al  5.952552422877  5.818062165062  3.891489260492  -0.525829240142  0.274545991606  -0.004988820708  0.002193694165  -0.000771180578  -0.001300117097


MDSTEP:  56
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.802681840770  0.000000000000  0.000000000000
  0.000000000000  7.804528708615  0.000000000000
  0.000000000000  0.000000000000  7.818952503470
VIRIAL (kbar)
  23.800894809382  -0.175021730941  0.678711752852
  -0.175021730941  22.781100072431  -1.857861779469
  0.678711752852  -1.857861779469  33.089481468430
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.700142506364  7.770490462146  7.752660107958  0.545734245255  0.015752220050  -0.063019675692  -0.002173230612  -0.001172761325  -0.003027437598
  1  Al  7.760223645032  1.879484946251  1.847322010830  0.267366886876  0.336948371654  0.206961618038  -0.000545624197  -0.001699973584  -0.003575428491
  2  Al  1.886356368902  7.701413087614  1.906598488051  0.035784264490  0.737762146659  0.346335411921  -0.002144386922  -0.002291671961  -0.000719323947
  3  Al  1.879210982570  1.913770665911  7.783284976672  0.091275477004  -0.050627972070  -0.014527346420  -0.002454410287  -0.001596123055  -0.002034552160
  4  Al  0.030651883361  7.723040432730  4.057708356572  0.147423142718  0.356041625715  -0.911723857937  0.001872712469  -0.002268406329  0.002919624666
  5  Al  0.015056962528  1.945432786614  5.920113325801  -0.021202727225  -0.061689341310  -0.402753018193  0.000530708671  -0.000497730892  0.000999713028
  6  Al  1.915767545688  7.802720035846  5.845696468684  0.173041167558  0.085869932672  0.254394371661  -0.001207117962  0.000802798557  0.000017375700
  7  Al  1.938054556815  1.967525697429  3.978695598279  -0.113986363650  -0.153982468318  -0.253575389725  -0.000844082796  0.000041450874  0.002259817982
  8  Al  7.756478721771  3.995212583185  7.684507094930  0.106939666989  -0.329673860027  0.644894704433  -0.001498877990  0.002401079400  -0.003292439770
  9  Al  0.033949677283  5.837565603271  1.951267986204  -0.136809965858  -0.056959015658  0.045659689166  0.001025118587  -0.000751298309  0.000284268863
  10  Al  2.007013740540  3.809120651721  1.952312364382  -0.420787343433  0.504044620776  0.340050486571  0.000953198782  -0.001292438883  0.001115094811
  11  Al  1.967076428370  5.889362001737  0.129489574031  -0.132300183909  -0.163765965072  -0.432389997646  -0.000046235037  0.001050480174  0.004349529632
  12  Al  7.761380819194  3.939755337135  3.828650002760  0.524635076740  -0.322727308819  0.294036614547  0.000196315792  0.000770062362  -0.001876677309
  13  Al  0.008246185718  5.814630294203  5.774027890342  -0.064008691024  0.019196867800  0.487287202796  0.000118789347  -0.001369881923  -0.002066703266
  14  Al  1.924197302729  3.849421806348  5.897176006544  0.039220704971  0.108593960737  -0.323056144832  -0.001256181093  -0.002245796153  0.000206659225
  15  Al  2.035984251294  5.861487174087  3.800756969153  -0.557760596649  -0.216419998926  0.609558016681  0.001335864723  -0.000402107049  -0.002924379257
  16  Al  4.024301991345  0.130645755947  0.008925469291  -0.296512851956  -0.488695907413  0.165605851238  0.003943163933  0.003857070393  0.001223328513
  17  Al  3.774428093937  1.842946250671  1.936187728424  0.640334953709  0.376327401106  0.119235810304  -0.002636363298  -0.002997728137  -0.000527609920
  18  Al  5.932264519886  7.694913680559  1.833199688546  -0.388591802826  0.610883781122  0.640549337628  0.001434781794  -0.002919922697  -0.002867070071
  19  Al  5.879698426209  2.060724853431  7.665037323625  -0.182763177065  -0.721803478052  0.899042079078  0.000050426914  0.001952572166  -0.003835037089
  20  Al  3.932368940705  0.121977243510  3.919807612356  -0.201635816426  -0.601757535207  0.050405848435  0.000483500621  0.002632998439  0.000296936897
  21  Al  3.932591440886  1.920037063159  5.902226592290  -0.108402649466  0.301514627080  -0.001951048867  0.001093390458  -0.000252520615  0.001854423245
  22  Al  5.853841984328  0.026873467034  5.885610293101  -0.101324264558  0.014770223039  0.020111223647  -0.000068297542  0.001748261966  0.001090859478
  23  Al  5.942676305851  1.970582931338  3.889415970687  -0.331342301117  -0.046532838714  0.118293396069  0.002218930006  0.000583407255  0.000223170739
  24  Al  3.933590705440  3.882388209441  0.124050222444  -0.037219561975  -0.002931981750  -0.780379399908  0.001453171385  -0.001007259284  0.002357580216
  25  Al  3.862711620153  5.973998387509  2.064843624767  0.446773572921  -0.312099662273  -0.556409572951  -0.000300987119  0.003525420828  0.002582229616
  26  Al  5.786396679677  3.999842953607  1.875463877662  0.346801912436  -0.439454535128  0.489102663126  -0.001769714844  0.002910216921  -0.001656950848
  27  Al  5.800708831353  5.900666878382  0.101625667690  0.015599307005  -0.364290736961  -0.900563719847  -0.001833348226  0.000671465618  0.001580736929
  28  Al  3.926531844545  3.956129116833  3.991536700796  -0.090938223335  -0.120467765161  -0.309484898864  0.000684638567  0.001769650834  0.001804036125
  29  Al  3.812808690495  5.886251352400  6.021446322165  0.558882814511  -0.122020137393  -0.438240952733  -0.001259983828  0.000820796025  0.004425865413
  30  Al  5.880004095065  3.796164136448  5.885885099092  -0.214140846261  0.827866321875  -0.349152431098  0.000543142373  -0.002049640117  0.000113851391
  31  Al  5.948135932642  5.812350738466  3.887652870884  -0.540085826450  0.280328407970  0.005703129374  0.002100989614  -0.000722471498  -0.001301485913


MDSTEP:  57
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.795571464476  0.000000000000  0.000000000000
  0.000000000000  7.797452157645  0.000000000000
  0.000000000000  0.000000000000  7.812662408418
VIRIAL (kbar)
  27.024313576138  -0.165320721158  0.726550298024
  -0.165320721158  25.963430237752  -1.844908306794
  0.726550298024  -1.844908306794  36.422911288209
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.692063179765  7.762859011593  7.744906586362  0.557141893051  0.013991981941  -0.054910740521  -0.002077203242  -0.001171513848  -0.003041324352
  1  Al  7.752891053407  1.876945715932  1.844057170808  0.268312614417  0.344522700476  0.216120174705  -0.000498365782  -0.001641062305  -0.003541526603
  2  Al  1.883566630646  7.693316992729  1.904720451190  0.034272347189  0.765119695659  0.353364643048  -0.002140713990  -0.002159995804  -0.000657529789
  3  Al  1.876275200602  1.911234964132  7.776005500606  0.097039414057  -0.050244609653  -0.000489694291  -0.002440533746  -0.001607069855  -0.002038138696
  4  Al  0.031567031442  7.714919307308  4.055863350209  0.144122098361  0.368905742408  -0.932854555066  0.001901057471  -0.002206290944  0.002757848633
  5  Al  0.015307687451  1.943417158456  5.915832719767  -0.023579119820  -0.060174359598  -0.414425729125  0.000527344730  -0.000509231795  0.000927719706
  6  Al  1.913425841561  7.796050419608  5.841013850342  0.185839862744  0.074318690949  0.260212766764  -0.001176474941  0.000818095374  0.000063425812
  7  Al  1.935861263153  1.965755543931  3.976613610566  -0.114597641634  -0.155080448554  -0.268139709193  -0.000865551451  0.000013854126  0.002215642889
  8  Al  7.748665678221  3.992776015501  7.676707510503  0.112368119739  -0.335508826052  0.663107388848  -0.001481073202  0.002344470041  -0.003179070868
  9  Al  0.034425261746  5.831894295178  1.949842449485  -0.142638013773  -0.057332449724  0.041029325225  0.001001360982  -0.000762427413  0.000292336517
  10  Al  2.005642671157  3.805043038012  1.951314615265  -0.429867753272  0.501137917798  0.342062182289  0.000878257702  -0.001204079443  0.001177338415
  11  Al  1.965254851990  5.884539977928  0.131541167730  -0.129096300058  -0.171012737131  -0.457800095968  -0.000069673796  0.001021798998  0.004274699019
  12  Al  7.754429692025  3.936553736088  3.824644639108  0.531965336353  -0.335302914397  0.295921955485  0.000291069870  0.000712127351  -0.001825975477
  13  Al  0.008295214711  5.808673847524  5.768371140779  -0.063847675241  0.020606848010  0.499787018519  0.000107495836  -0.001367972130  -0.001980689465
  14  Al  1.921817402624  3.844813233591  5.892520828772  0.047934059669  0.123422614731  -0.328801877803  -0.001249904287  -0.002227747809  0.000148579217
  15  Al  2.034772023024  5.855961672360  3.796264214759  -0.566245497999  -0.219296772254  0.635394430440  0.001236934316  -0.000441567914  -0.002816244245
  16  Al  4.022593375204  0.132434279773  0.009537442551  -0.310893235256  -0.508541545365  0.160401273971  0.003893599031  0.003772512186  0.001253838267
  17  Al  3.769698792784  1.839792937836  1.934371611859  0.647846810761  0.387171989564  0.125995888802  -0.002524319901  -0.002933043018  -0.000506255996
  18  Al  5.927558739233  7.686503638554  1.830319814052  -0.386422962557  0.636204003081  0.658652582807  0.001367189536  -0.002811885239  -0.002754019324
  19  Al  5.874357464951  2.059800524962  7.656993419276  -0.176296112767  -0.736463731260  0.932775964958  0.000018368798  0.001824478302  -0.003675411780
  20  Al  3.929018254376  0.123156450016  3.916804996025  -0.205777599008  -0.611743298491  0.056986865865  0.000447640911  0.002527619685  0.000306870438
  21  Al  3.929549707032  1.918183312751  5.898405701840  -0.118457819472  0.306921923136  -0.012068179891  0.001074419572  -0.000198398257  0.001855213915
  22  Al  5.848468853053  0.027724019340  5.881421917828  -0.105718917101  0.000579511446  0.014185451584  -0.000086900895  0.001751741800  0.001095130045
  23  Al  5.938355726692  1.969085824489  3.886403948291  -0.333771670082  -0.047820330426  0.108965716487  0.002162117276  0.000575670089  0.000243744844
  24  Al  3.930731158239  3.878364121619  0.125094522396  -0.048773503550  0.001913841185  -0.796685849462  0.001447236778  -0.001008564162  0.002219113188
  25  Al  3.859061079744  5.970330646254  2.064448967554  0.456849350435  -0.317675620984  -0.570957125494  -0.000220518958  0.003473333670  0.002484235247
  26  Al  5.780254198040  3.997651888622  1.873148384456  0.361629901152  -0.460011886796  0.502693874123  -0.001708483804  0.002833263646  -0.001570062853
  27  Al  5.794506688186  5.895636109781  0.102294158827  0.017169237092  -0.370667744130  -0.927369045474  -0.001832634606  0.000606530306  0.001418973581
  28  Al  3.923292007017  3.953421573661  3.989213960348  -0.095410397990  -0.126567297347  -0.310370947044  0.000668797177  0.001749685256  0.001750579926
  29  Al  3.808729065574  5.881319155350  6.018795938791  0.560741583802  -0.123100188826  -0.446418107722  -0.001161353593  0.000799858305  0.004351613712
  30  Al  5.874907847189  3.791734082722  5.881191427743  -0.219785094998  0.854618535481  -0.362488487753  0.000504983168  -0.001901606216  0.000050321550
  31  Al  5.943742072916  5.806731778597  3.883874795989  -0.552053314243  0.287108765124  0.016122640887  0.002005835322  -0.000672582985  -0.001300968634


MDSTEP:  58
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.788562217359  0.000000000000  0.000000000000
  0.000000000000  7.790474600788  0.000000000000
  0.000000000000  0.000000000000  7.806497416517
VIRIAL (kbar)
  30.226978998979  -0.156080880333  0.776236314481
  -0.156080880333  29.130915872659  -1.828120667107
  0.776236314481  -1.828120667107  39.726923182114
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.684133131230  7.755327188300  7.737271710435  0.565134563801  0.012470844529  -0.046549476809  -0.001979330818  -0.001170562486  -0.003053753165
  1  Al  7.745682948358  1.874460864821  1.840840640747  0.266087786171  0.353847207776  0.223737861708  -0.000451166148  -0.001580573997  -0.003506086702
  2  Al  1.880804064904  7.685386642052  1.902904404827  0.035642329470  0.792122854851  0.358968468833  -0.002137056204  -0.002023305518  -0.000594537480
  3  Al  1.873372062214  1.908718790045  7.768850186306  0.105180572440  -0.048160344744  0.014002953847  -0.002425404399  -0.001617814738  -0.002039177178
  4  Al  0.032495763216  7.706928771944  4.054000313320  0.137682881776  0.381543112566  -0.953063839565  0.001928571630  -0.002141827099  0.002592196393
  5  Al  0.015556583363  1.941420746168  5.911609935078  -0.029361132298  -0.056848371886  -0.424440342987  0.000523248614  -0.000520315315  0.000853707092
  6  Al  1.911125394327  7.789486548428  5.836448035989  0.201150808735  0.062476378141  0.267096095128  -0.001143284082  0.000831320874  0.000110662853
  7  Al  1.933682705836  1.963996485063  3.974571665939  -0.112464234157  -0.154742955855  -0.282642204072  -0.000886912739  -0.000013843908  0.002168819085
  8  Al  7.740962975293  3.990360501875  7.669089649244  0.114603888734  -0.341690799160  0.681133400616  -0.001462566026  0.002286725590  -0.003062335437
  9  Al  0.034888693634  5.826291785370  1.948451847900  -0.151534281341  -0.059355386694  0.034851348964  0.000976260682  -0.000773786973  0.000299446274
  10  Al  2.004259324127  3.801058349985  1.950378871963  -0.435880036872  0.497693410620  0.342060579784  0.000801878580  -0.001116185706  0.001239830447
  11  Al  1.963447218391  5.879777529740  0.133554592111  -0.123255797104  -0.179652727069  -0.483425690239  -0.000092332117  0.000991665649  0.004195220795
  12  Al  7.747626762145  3.933372244948  3.820726696018  0.535414350919  -0.347867390433  0.297778235446  0.000386903907  0.000651876039  -0.001774883045
  13  Al  0.008338659745  5.802792779781  5.762851138302  -0.066357324742  0.020490029729  0.513321518336  0.000095978897  -0.001365949130  -0.001892252075
  14  Al  1.919466528364  3.840264167835  5.887930635050  0.058725615809  0.138457289469  -0.332947233170  -0.001241879119  -0.002207014082  0.000089550420
  15  Al  2.033535757545  5.850490843834  3.791888624267  -0.571336065740  -0.223175737426  0.660974015031  0.001136673685  -0.000481682269  -0.002703390887
  16  Al  4.020909742427  0.134179596511  0.010164099440  -0.323018246840  -0.528112929131  0.154958419991  0.003841615632  0.003684339109  0.001283429258
  17  Al  3.765075927091  1.836697148451  1.932597656965  0.658061225576  0.399603307059  0.131504500820  -0.002410563241  -0.002866207961  -0.000483781104
  18  Al  5.922895517018  7.678247629900  1.827527711799  -0.386638503292  0.661058111299  0.675078234845  0.001299694540  -0.002699238943  -0.002637755340
  19  Al  5.869076951648  2.058836785635  7.649154955042  -0.171627254392  -0.748758039447  0.965980437390  -0.000012731941  0.001693825036  -0.003509622891
  20  Al  3.925700209600  0.124282915725  3.913870240357  -0.207080401685  -0.621449744658  0.063558028144  0.000411252169  0.002420361041  0.000317991378
  21  Al  3.926548523501  1.916381323468  5.894678465651  -0.125599957117  0.313342146240  -0.021087294400  0.001053890808  -0.000143153260  0.001854293735
  22  Al  5.843162127416  0.028575242406  5.877329156080  -0.112425474649  -0.013489715048  0.009259138884  -0.000106520105  0.001752703999  0.001098434611
  23  Al  5.934082674190  1.967609529183  3.883463937020  -0.338645728972  -0.047381337673  0.099523911684  0.002104589376  0.000567849694  0.000262662726
  24  Al  3.927918463254  3.874389289730  0.126069940256  -0.057490159868  0.006624737305  -0.812304768391  0.001439486367  -0.001009019253  0.002077637784
  25  Al  3.855501410085  5.966710831825  2.064036703352  0.469587580005  -0.324570745017  -0.586301041720  -0.000137913240  0.003420080194  0.002383459058
  26  Al  5.774218770757  3.995470883576  1.870907587093  0.374045165572  -0.480658993733  0.514786687200  -0.001644747092  0.002752541508  -0.001480781639
  27  Al  5.788380970711  5.890647145315  0.102881597796  0.016680794545  -0.378541813147  -0.953598137714  -0.001831829284  0.000540243935  0.001252287994
  28  Al  3.920094637242  3.950753173547  3.986927618417  -0.096609294784  -0.132722304600  -0.311313268547  0.000652431455  0.001728605479  0.001696901228
  29  Al  3.804748802996  5.876450742565  6.016202687215  0.565187190989  -0.125371479632  -0.453512800389  -0.001062043679  0.000778598320  0.004275914067
  30  Al  5.869868240676  3.787428280414  5.876559532482  -0.227330327854  0.880814641487  -0.374004920656  0.000465599520  -0.001748663885  -0.000015501368
  31  Al  5.939376271622  5.801212104142  3.880160156160  -0.566530532836  0.292006744284  0.026617182008  0.001908206658  -0.000621591944  -0.001298580043


MDSTEP:  59
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.781662427365  0.000000000000  0.000000000000
  0.000000000000  7.783604223377  0.000000000000
  0.000000000000  0.000000000000  7.800465796874
VIRIAL (kbar)
  33.404683115236  -0.145129453214  0.829383655812
  -0.145129453214  32.268638508003  -1.806334390417
  0.829383655812  -1.806334390417  43.003231144237
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.676361277885  7.747902988246  7.729764373285  0.576652654615  0.010543208044  -0.038356295342  -0.001879599432  -0.001169921884  -0.003064713075
  1  Al  7.738607413677  1.872033182639  1.837675001383  0.267338781799  0.360423852177  0.234228062080  -0.000403997499  -0.001518594678  -0.003468985905
  2  Al  1.878070775191  7.677632516325  1.901152865560  0.032657289148  0.818131905375  0.366935576158  -0.002133544050  -0.001881713581  -0.000530261472
  3  Al  1.870504265901  1.906224310925  7.761828526214  0.109752200228  -0.048262991020  0.027814217943  -0.002409125831  -0.001628400068  -0.002037683834
  4  Al  0.033437569458  7.699078033257  4.052121749856  0.134559796074  0.393923348359  -0.972659450948  0.001955268867  -0.002075053566  0.002422799496
  5  Al  0.015803156862  1.939445877888  5.907450340879  -0.031878615899  -0.055882968542  -0.437005020052  0.000518406475  -0.000531029879  0.000777592689
  6  Al  1.908869604855  7.783035561656  5.832005832072  0.211919049511  0.050710150835  0.271310326517  -0.001107723038  0.000842452927  0.000158944562
  7  Al  1.931521127314  1.962250610206  3.972572705347  -0.114691352757  -0.156641767508  -0.296641291018  -0.000908310671  -0.000041715164  0.002119392935
  8  Al  7.733379071758  3.987969706017  7.661663215109  0.120817987397  -0.347331207550  0.698184531294  -0.001443284339  0.002227860363  -0.002942331883
  9  Al  0.035339225146  5.820764001940  1.947097698855  -0.156806206967  -0.058645194946  0.031325544103  0.000949865066  -0.000785279961  0.000305695698
  10  Al  2.002865305081  3.797170270737  1.949507229189  -0.445937921803  0.494425884935  0.344327949053  0.000723971281  -0.001028789274  0.001302593293
  11  Al  1.961656144429  5.875080072100  0.135527752306  -0.121622681067  -0.185898622993  -0.508459566216  -0.000114349648  0.000960167126  0.004111121019
  12  Al  7.740980641909  3.930213873426  3.816900366090  0.542339578016  -0.359848135909  0.300144171624  0.000483783336  0.000589358058  -0.001723355556
  13  Al  0.008376305026  5.796993158393  5.757475180437  -0.065417434650  0.023137034286  0.523802332227  0.000084307805  -0.001363701323  -0.001801567922
  14  Al  1.917147680539  3.835779959913  5.883411284282  0.065451816073  0.153243142186  -0.339375294961  -0.001232280432  -0.002183594133  0.000029510720
  15  Al  2.032277175418  5.845080475941  3.787636475057  -0.581128035544  -0.224686424247  0.686183251836  0.001034962995  -0.000522328690  -0.002585868509
  16  Al  4.019254355598  0.135880136486  0.010804988839  -0.338240098419  -0.547864519817  0.149039188874  0.003787132902  0.003592552474  0.001312035775
  17  Al  3.760564418350  1.833661893043  1.930868399015  0.663895121791  0.409647414753  0.139252548772  -0.002295239191  -0.002797289861  -0.000460095356
  18  Al  5.918281175557  7.670155922549  1.824826761591  -0.381848857073  0.685187328108  0.693247567017  0.001232530166  -0.002582082455  -0.002518267135
  19  Al  5.863863574397  2.057834704011  7.641532970917  -0.162766470570  -0.763054957494  0.997485005700  -0.000042660199  0.001560639917  -0.003337861000
  20  Al  3.922418887924  0.125355921729  3.911008085300  -0.211818531075  -0.631080455115  0.070477565350  0.000374279936  0.002311249871  0.000330331111
  21  Al  3.923591462272  1.914633689012  5.891050350617  -0.136325828219  0.317450612452  -0.032487415041  0.001031741518  -0.000086900000  0.001851544955
  22  Al  5.837927451224  0.029425933444  5.873337810937  -0.114452356216  -0.027539985603  0.001829247625  -0.000126944655  0.001751157073  0.001100636914
  23  Al  5.929863079155  1.966156158876  3.880599213347  -0.338666188411  -0.049273536070  0.090969797815  0.002046559308  0.000559891494  0.000279991594
  24  Al  3.925156060591  3.870468191327  0.126975225104  -0.070118583715  0.011332793247  -0.827563199201  0.001429820920  -0.001008635272  0.001933243240
  25  Al  3.852037882832  5.963144637418  2.063607669517  0.477812744030  -0.329043573898  -0.599133621063  -0.000053332328  0.003365755324  0.002280049999
  26  Al  5.768297667839  3.993302317539  1.868744538269  0.390305461893  -0.500315924231  0.528986598056  -0.001578372162  0.002668124358  -0.001389049267
  27  Al  5.782337798431  5.885705468012  0.103385743769  0.020544678798  -0.383310688888  -0.978657792379  -0.001830725839  0.000472747968  0.001080830199
  28  Al  3.916943826502  3.948127538566  3.984681832828  -0.101668675787  -0.138852232512  -0.311849473371  0.000635487745  0.001706406292  0.001643030089
  29  Al  3.800872368071  5.871652093142  6.013672362307  0.565250055064  -0.125354377984  -0.462822339272  -0.000962212665  0.000757113228  0.004198661075
  30  Al  5.864890878142  3.783253048908  5.871994598528  -0.230354392277  0.905569129003  -0.387789415623  0.000425223809  -0.001590983857  -0.000083659971
  31  Al  5.935043597918  5.795798247036  3.876513979508  -0.575554983987  0.299161760568  0.037256692442  0.001808362140  -0.000569462825  -0.001294297626


MDSTEP:  60
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.774880236855  0.000000000000  0.000000000000
  0.000000000000  7.776849013431  0.000000000000
  0.000000000000  0.000000000000  7.794575630822
VIRIAL (kbar)
  36.549958030322  -0.135645274584  0.883170249771
  -0.135645274584  35.383451328265  -1.777694729714
  0.883170249771  -1.777694729714  46.234803199719
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.668756668894  7.740594173098  7.722393262854  0.582894193833  0.008938040299  -0.029556477957  -0.001778161870  -0.001169599267  -0.003074161439
  1  Al  7.731672659813  1.869665165560  1.834563042554  0.263436087298  0.370041979835  0.242368395399  -0.000357009494  -0.001455095071  -0.003430173671
  2  Al  1.875368428123  7.670064814098  1.899468516476  0.033729701412  0.843348038456  0.372761920889  -0.002130203051  -0.001735372059  -0.000464680235
  3  Al  1.867674143763  1.903753447888  7.754949762744  0.117943460985  -0.045376652071  0.042045174807  -0.002391690664  -0.001638753036  -0.002033678100
  4  Al  0.034392239649  7.691376078769  4.050230119808  0.126257359628  0.405671601533  -0.991384537643  0.001980980498  -0.002006045533  0.002249785420
  5  Al  0.016047206487  1.937494620684  5.903358935087  -0.039434485020  -0.051738670142  -0.447233775542  0.000512658398  -0.000541301599  0.000699354690
  6  Al  1.906661422028  7.776704409170  5.827693667511  0.226491306306  0.038880080342  0.277223583569  -0.001069854177  0.000851489676  0.000208185155
  7  Al  1.929378332470  1.960519758394  3.970619620377  -0.112572023343  -0.155502712148  -0.310383848502  -0.000929746123  -0.000069688280  0.002067428389
  8  Al  7.725922596233  3.985607240436  7.654437639856  0.121919731489  -0.353604468919  0.715290870754  -0.001423327698  0.002167863245  -0.002819137335
  9  Al  0.035776432148  5.815316968469  1.945781710401  -0.166751577861  -0.060905222005  0.025928178717  0.000922078021  -0.000796927363  0.000311153478
  10  Al  2.001461809263  3.793382403386  1.948701940774  -0.451587383627  0.490850074001  0.344079248228  0.000644565593  -0.000941901429  0.001365604301
  11  Al  1.959883823508  5.870453085407  0.137458605861  -0.115992111804  -0.194795682180  -0.533341213014  -0.000135744432  0.000927278059  0.004022458881
  12  Al  7.734500072716  3.927081582880  3.813169794590  0.543676982511  -0.371561595010  0.302222286857  0.000581520730  0.000524646106  -0.001671371762
  13  Al  0.008408242788  5.791281149208  5.752250153176  -0.069112928494  0.022973094100  0.535570737253  0.000072376187  -0.001361231863  -0.001708791594
  14  Al  1.914863449387  3.831365839229  5.878968288177  0.075664166673  0.167963075968  -0.343717432652  -0.001221157353  -0.002157511494  -0.000031558526
  15  Al  2.030997527391  5.839736418026  3.783513920230  -0.586217006741  -0.228616196447  0.710575987655  0.000931799516  -0.000563512295  -0.002463776803
  16  Al  4.017630108060  0.137534312653  0.011459619022  -0.349590900640  -0.566844963623  0.143053562184  0.003730214559  0.003497198218  0.001339607379
  17  Al  3.756168706427  1.830689920378  1.929186527127  0.674403398563  0.422501757721  0.145179757091  -0.002178317637  -0.002726246383  -0.000435159742
  18  Al  5.913722343716  7.662238525022  1.822220455112  -0.380721308929  0.708709764130  0.709322141687  0.001165815905  -0.002460527322  -0.002395581274
  19  Al  5.858724255676  2.056795116256  7.634138171436  -0.157046057969  -0.773457228216  1.028480305461  -0.000071320608  0.001425087506  -0.003160315449
  20  Al  3.919177969845  0.126374753118  3.908223208695  -0.211653310349  -0.640086386051  0.077183100926  0.000336854421  0.002200344677  0.000343902791
  21  Al  3.920681682018  1.912942749120  5.887526471064  -0.142466344551  0.323921629130  -0.042247027462  0.001008058615  -0.000029632352  0.001846898252
  22  Al  5.832770746685  0.030274892495  5.869453321610  -0.120135169488  -0.041382355732  -0.004302897104  -0.000148083973  0.001747117270  0.001101627238
  23  Al  5.925703166270  1.964727569318  3.877813040221  -0.342754809936  -0.048414382989  0.082170197519  0.001988095230  0.000551832544  0.000295786952
  24  Al  3.922446948438  3.866605204409  0.127809153962  -0.078179909302  0.015718825460  -0.842164600135  0.001418295842  -0.001007439687  0.001786016447
  25  Al  3.848675276360  5.959637824690  2.063162878465  0.490244884876  -0.336025295976  -0.613075653279  0.000033199248  0.003310347803  0.002174129393
  26  Al  5.762498365206  3.991148557996  1.866662434727  0.403161183450  -0.520241285314  0.541026188402  -0.001509315152  0.002580070301  -0.001294867128
  27  Al  5.776383539679  5.880816688287  0.103804454730  0.021341262560  -0.390831579642  -1.002960380288  -0.001829207875  0.000404071891  0.000904766886
  28  Al  3.913843227928  3.945548194539  3.982480702678  -0.101863215493  -0.145184435003  -0.312386095116  0.000618054730  0.001683069396  0.001589001710
  29  Al  3.797103744608  5.866929242408  6.011210419676  0.569848010896  -0.127952480056  -0.470567833720  -0.000861845230  0.000735372975  0.004119792485
  30  Al  5.859981626065  3.779214484813  5.867501464955  -0.236684953767  0.929697962250  -0.398949051855  0.000383963036  -0.001428743542  -0.000154124769
  31  Al  5.930749466803  5.790496794608  3.872941212463  -0.588248233166  0.303305668300  0.047789186873  0.001706457098  -0.000516261092  -0.001288115157


MDSTEP:  61
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.768223585429  0.000000000000  0.000000000000
  0.000000000000  7.770216783312  0.000000000000
  0.000000000000  0.000000000000  7.788834770467
VIRIAL (kbar)
  39.661799450647  -0.124617956063  0.938865239752
  -0.124617956063  38.456283404354  -1.745164471140
  0.938865239752  -1.745164471140  49.423997319313
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.661327681962  7.733408356979  7.715166890261  0.593858692759  0.007076070328  -0.020306664997  -0.001675064168  -0.001169588491  -0.003082000317
  1  Al  7.724886235418  1.867359539244  1.831507286857  0.264213752336  0.376153579227  0.252274965970  -0.000310244309  -0.001390113836  -0.003389698488
  2  Al  1.872699001423  7.662693491611  1.897853794606  0.031942628500  0.867967751263  0.379942762184  -0.002126925011  -0.001584397857  -0.000397862573
  3  Al  1.864884300260  1.901308343969  7.748222945637  0.123542966170  -0.045552454386  0.056501899390  -0.002373004099  -0.001648879034  -0.002027098339
  4  Al  0.035359102342  7.683831665121  4.048327840032  0.122603116294  0.417359037295  -1.009825011236  0.002005656765  -0.001934860836  0.002073252695
  5  Al  0.016288080322  1.935569281203  5.899340749522  -0.042468072250  -0.050688824250  -0.458751994661  0.000505956795  -0.000551122126  0.000619084172
  6  Al  1.904504084912  0.000286676627  5.823517953339  0.237940193272  0.026907074409  0.281268218827  -0.001029613044  0.000858409645  0.000258370268
  7  Al  1.927256462745  1.958805995229  3.968715209791  -0.113561202680  -0.157859288085  -0.324322364608  -0.000951107946  -0.000097804413  0.002012927042
  8  Al  7.718601517523  3.983276572288  7.647422134911  0.127957913804  -0.359404164225  0.732011304718  -0.001402710120  0.002106717138  -0.002692776597
  9  Al  0.036199472122  5.809956310349  1.944505366464  -0.171990179652  -0.059576913708  0.021856110694  0.000892900200  -0.000808673681  0.000315769692
  10  Al  2.000050372634  3.789698238477  1.947964981627  -0.460050538742  0.486871717490  0.344773665972  0.000563801675  -0.000855585463  0.001428722106
  11  Al  1.958132754727  5.865901680681  0.139345122217  -0.113474573611  -0.200234624897  -0.557463813059  -0.000156436599  0.000893068284  0.003929308835
  12  Al  7.728193097811  3.923978268734  3.809538988090  0.549309133489  -0.382863643082  0.304243983998  0.000680001496  0.000457797656  -0.001618961148
  13  Al  0.008434150426  5.785662534322  5.747182888823  -0.068112225581  0.026409934329  0.545482464095  0.000060189078  -0.001358469057  -0.001613970974
  14  Al  1.912616685772  3.827026941003  5.874607170353  0.082756366317  0.182538469257  -0.349138581209  -0.001208474539  -0.002128780439  -0.000093568206
  15  Al  2.029698430343  5.834464169541  3.779526929112  -0.594410529050  -0.228843821764  0.734217196279  0.000827323539  -0.000605118828  -0.002337249928
  16  Al  4.016040137622  0.139140605565  0.012127494220  -0.365710640361  -0.586210188193  0.137075567578  0.003670774954  0.003398304199  0.001366136845
  17  Al  3.751893551191  1.827784187552  1.927554511139  0.679184521253  0.432072487005  0.152442955608  -0.002059889113  -0.002653115457  -0.000409016077
  18  Al  5.909225168824  7.654505218809  1.819712043565  -0.375610298806  0.731753837333  0.726137456527  0.001099580128  -0.002334663364  -0.002269814324
  19  Al  5.853665483885  2.055719158664  7.626980992221  -0.147822956406  -0.786339747714  1.058641421837  -0.000098679281  0.001287290059  -0.002977098729
  20  Al  3.915981471528  0.127338748015  3.905520155283  -0.216517394722  -0.649189266339  0.083735851236  0.000298963470  0.002087688780  0.000358674735
  21  Al  3.917822649620  1.911311012941  5.884111916802  -0.153620844066  0.326860330233  -0.053530382160  0.000982801219  0.000028546545  0.001840360951
  22  Al  5.827697456274  0.031120939254  5.865681071970  -0.122362674614  -0.055555447211  -0.012047539086  -0.000169956869  0.001740569585  0.001101375469
  23  Al  5.921608643180  1.963325818356  3.875108545125  -0.342962854921  -0.050714655992  0.073234047419  0.001929178465  0.000543635875  0.000310012731
  24  Al  3.919794432273  3.862804589720  0.128570557139  -0.091277026392  0.020105932249  -0.855593265097  0.001404866081  -0.001005459655  0.001636117337
  25  Al  3.845418647079  5.956195799205  2.062703182600  0.496900374299  -0.339651908906  -0.625336860521  0.000121543756  0.003253929921  0.002065744638
  26  Al  5.756827884156  3.989011859036  1.864664226170  0.418569227383  -0.539354215647  0.553995425058  -0.001437647901  0.002488421755  -0.001198342124
  27  Al  5.770524135661  5.875986036488  0.104135649484  0.025388354616  -0.394625232717  -1.025747587094  -0.001827257437  0.000334300981  0.000724296210
  28  Al  3.910796827828  3.943018561531  3.980328210627  -0.106986250733  -0.151345913831  -0.313207113711  0.000600125699  0.001658589545  0.001534789688
  29  Al  3.793447224059  5.862287859784  6.008822281125  0.568815157115  -0.127119255155  -0.479632361540  -0.000761037860  0.000713449748  0.004039326318
  30  Al  5.855145901930  3.775318545981  5.863085030681  -0.239284359129  0.952523795396  -0.411094235038  0.000341853734  -0.001262108418  -0.000226751393
  31  Al  5.926498810209  5.785313934915  3.869446676779  -0.596759775893  0.310529550289  0.058162476625  0.001602533538  -0.000461978761  -0.001280053647


MDSTEP:  62
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.761700210690  0.000000000000  0.000000000000
  0.000000000000  7.763715122354  0.000000000000
  0.000000000000  0.000000000000  7.783250850269
VIRIAL (kbar)
  42.728300872772  -0.113742915128  0.997235520790
  -0.113742915128  41.492457160394  -1.708067450741
  0.997235520790  -1.708067450741  52.558594876353
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.654082918392  7.726352907568  7.708093587472  0.599852194817  0.005649093873  -0.010407786403  -0.001570325271  -0.001169873358  -0.003088127902
  1  Al  7.718255907368  1.865118662302  1.828510360653  0.260728051198  0.385504468890  0.260389411025  -0.000263664617  -0.001323672108  -0.003347559127
  2  Al  1.870064165858  7.655528234172  1.896311206425  0.033722452005  0.891734096573  0.385011828506  -0.002123645513  -0.001428913669  -0.000329874897
  3  Al  1.862137057299  1.898890811617  7.741656926356  0.132772069878  -0.041956754064  0.071239931049  -0.002352970378  -0.001658713463  -0.002017895271
  4  Al  0.036337903669  7.676453322579  4.046417237286  0.114396590781  0.428804760349  -1.027353700189  0.002029303912  -0.001861522602  0.001893303993
  5  Al  0.016525530645  1.933671833044  5.895400534301  -0.049914022141  -0.046067187302  -0.468337561395  0.000498310034  -0.000560447942  0.000536836396
  6  Al  1.902400503860  0.000716924177  5.819484772553  0.252566800603  0.015295128458  0.286943648801  -0.000986991196  0.000863229327  0.000309479335
  7  Al  1.925157329869  1.957111016775  3.966862144669  -0.110807519130  -0.156153125282  -0.338042226139  -0.000972338822  -0.000126013046  0.001955887230
  8  Al  7.711424043856  3.980981097737  7.640625663832  0.130049482637  -0.365914951106  0.748509422555  -0.001381341408  0.002044398046  -0.002563299585
  9  Al  0.036607922600  5.804687805698  1.943270215485  -0.181209731182  -0.061493499480  0.016118264185  0.000862394252  -0.000820487909  0.000319512768
  10  Al  1.998632226187  3.786121122658  1.947298359934  -0.464023043980  0.482569007405  0.343291060185  0.000481827351  -0.000769906346  0.001491835429
  11  Al  1.956405107394  5.861431109821  0.141185336628  -0.107014736791  -0.209098122609  -0.581095454210  -0.000176351075  0.000857538596  0.003831775943
  12  Al  7.722067946742  3.920906749208  3.806011841026  0.550339787615  -0.394274410263  0.306097987783  0.000779198975  0.000388836717  -0.001566142594
  13  Al  0.008454124699  5.780143250088  5.742279893799  -0.070999060581  0.026573059287  0.556370149309  0.000047818439  -0.001355382540  -0.001517182060
  14  Al  1.910409910913  3.822768276134  5.870333191980  0.093310378199  0.196755762370  -0.352733953056  -0.001194198810  -0.002097441455  -0.000156452269
  15  Al  2.028381169188  5.829269391634  3.775681299214  -0.598262432048  -0.232624481999  0.756731968003  0.000721643382  -0.000647135270  -0.002206450179
  16  Al  4.014487054155  0.140697458724  0.012808121214  -0.378140180138  -0.604593249729  0.131081628361  0.003608712282  0.003295917371  0.001391621431
  17  Al  3.747743103385  1.824947304392  1.925974886806  0.687850324253  0.445314527378  0.157823183954  -0.001940115120  -0.002577858174  -0.000381711831
  18  Al  5.904796000573  7.646965523673  1.817304794348  -0.373785000385  0.753919265647  0.740542472094  0.001033885037  -0.002204605044  -0.002141111461
  19  Al  5.848693907789  2.054607684787  7.620071583001  -0.141817988518  -0.795274617811  1.087806884722  -0.000124709192  0.001147374956  -0.002788367331
  20  Al  3.912832857100  0.128247231896  3.902903348028  -0.216959672680  -0.657258441174  0.090046367157  0.000260551903  0.001973362340  0.000374612674
  21  Al  3.915017282231  1.909740620532  5.880811478833  -0.160742290395  0.333050724022  -0.063095666155  0.000955879041  0.000087612871  0.001831947366
  22  Al  5.822713178979  0.031962864563  5.862026138997  -0.127739793594  -0.068962715818  -0.018271772200  -0.000192536854  0.001731548920  0.001099871400
  23  Al  5.917585411447  1.961952625500  3.872488735545  -0.346685369498  -0.049691824385  0.064426199408  0.001869839964  0.000535315636  0.000322666243
  24  Al  3.917201266599  3.859070496140  0.129258364030  -0.100884257155  0.024082682474  -0.868206909015  0.001389390197  -0.001002730279  0.001483720440
  25  Al  3.842272437521  5.952824098088  2.062229526413  0.507063327767  -0.346701615206  -0.638988384004  0.000211500581  0.003196492406  0.001954918281
  26  Al  5.751293324770  3.986894433243  1.862752894619  0.430267413268  -0.558557774149  0.565072882140  -0.001363469773  0.002393237260  -0.001099557446
  27  Al  5.764765665924  5.871218906111  0.104377375046  0.026358553595  -0.401081394608  -1.047211980264  -0.001824857429  0.000263528738  0.000539667479
  28  Al  3.907808070467  3.940541963003  3.978228203216  -0.108318112535  -0.158077816387  -0.314061085819  0.000581597920  0.001632928608  0.001480364792
  29  Al  3.789906497339  5.857733753535  6.006513085406  0.571511314090  -0.129669270067  -0.486909640318  -0.000659959448  0.000691347166  0.003957300775
  30  Al  5.850389303828  3.771570968476  5.858749940220  -0.245057313155  0.974060214250  -0.420957304376  0.000298944444  -0.001091303808  -0.000301425843
  31  Al  5.922296779041  5.780255966180  3.866035070758  -0.608428216800  0.314138460462  0.068170134307  0.001496679493  -0.000406661943  -0.001270157300


MDSTEP:  63
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.755317620494  0.000000000000  0.000000000000
  0.000000000000  7.757351415602  0.000000000000
  0.000000000000  0.000000000000  7.777831260058
VIRIAL (kbar)
  45.748204904545  -0.102949810636  1.056778098996
  -0.102949810636  44.476826297462  -1.665525439591
  1.056778098996  -1.665525439591  55.636339350294
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.647030309453  7.719435026645  7.701181498574  0.609508696950  0.003091053022  -0.001243655873  -0.001464059156  -0.001170515865  -0.003092548294
  1  Al  7.711788833727  1.862945134132  1.825574669924  0.260980452339  0.391886918555  0.269361835046  -0.000217317414  -0.001255743021  -0.003303835728
  2  Al  1.867465853174  7.648578452206  1.894843011595  0.033891275873  0.913529863225  0.390572528015  -0.002120188410  -0.001269165511  -0.000260860998
  3  Al  1.859435003969  1.896502948276  7.735260336414  0.140649863060  -0.040996688766  0.084797223484  -0.002331382721  -0.001668153493  -0.002006145433
  4  Al  0.037327984631  7.669249357714  4.044500589669  0.109939854443  0.439110287437  -1.043178162418  0.002051847811  -0.001786150667  0.001710169425
  5  Al  0.016758915044  1.931804517419  5.891543025186  -0.053669647190  -0.044129744167  -0.478526876060  0.000489652083  -0.000569198767  0.000452728173
  6  Al  1.900353817243  0.001148719235  5.815600172903  0.265034010902  0.002975958010  0.291536261663  -0.000941894027  0.000865914748  0.000361561970
  7  Al  1.923083021493  1.955436829942  3.965062991415  -0.109909255412  -0.157317049756  -0.350423221948  -0.000993269245  -0.000154207597  0.001896444716
  8  Al  7.704397801328  3.978724045382  7.634056930953  0.136016009763  -0.371134438510  0.763542767662  -0.001359226259  0.001980955208  -0.002430853041
  9  Al  0.037001004223  5.799516788508  1.942077596248  -0.186474073693  -0.060358109327  0.011148629546  0.000830555731  -0.000832386972  0.000322301271
  10  Al  1.997208941579  3.782654275008  1.946703831522  -0.469598088889  0.479018935609  0.342077812239  0.000398899107  -0.000684825938  0.001554772520
  11  Al  1.954703344769  5.857046164281  0.142977325163  -0.102488564080  -0.214892829497  -0.604787821194  -0.000195307165  0.000820655027  0.003729892299
  12  Al  7.716132212647  3.917869728052  3.802592112761  0.554717725529  -0.404195783371  0.308962881321  0.000879001562  0.000317883866  -0.001512839647
  13  Al  0.008467914296  5.774728786576  5.737547582312  -0.070077053510  0.029932578508  0.566047191313  0.000035256961  -0.001351978099  -0.001418443343
  14  Al  1.908245898112  3.818594721587  5.866151590955  0.101830408438  0.211382102212  -0.356710954365  -0.001178199814  -0.002063485616  -0.000220082109
  15  Al  2.027047355015  5.824157272541  3.771982610137  -0.604130059384  -0.233200545222  0.779118847409  0.000614965079  -0.000689593035  -0.002071484520
  16  Al  4.012973681076  0.142203400630  0.013501007147  -0.394491678167  -0.623975537943  0.124046883577  0.003544000517  0.003190029962  0.001415964594
  17  Al  3.743721750893  1.822182159992  1.924449961462  0.691876794950  0.455642240595  0.163706601628  -0.001819060270  -0.002500402683  -0.000353369080
  18  Al  5.900440719883  7.639628680844  1.815001703527  -0.369321035858  0.774362728962  0.754763184659  0.000968672739  -0.002070578424  -0.002009701024
  19  Al  5.843815714766  2.053461844634  7.613419767480  -0.133688713409  -0.805993390736  1.114652050798  -0.000149506539  0.001005532251  -0.002594411236
  20  Al  3.909735869456  0.129099618585  3.900377066644  -0.221440332855  -0.666177489305  0.097207269711  0.000221653182  0.001857378455  0.000391772006
  21  Al  3.912268741897  1.908233954103  5.877629918606  -0.171923014853  0.336238107800  -0.073283147606  0.000927287133  0.000147590034  0.001821752521
  22  Al  5.817823058943  0.032799528347  5.858493552432  -0.130759276997  -0.083247441321  -0.025315131650  -0.000215895561  0.001720041328  0.001097175803
  23  Al  5.913638884054  1.960609956141  3.869956509174  -0.347828401057  -0.051311782474  0.056864487596  0.001809994449  0.000526932229  0.000333868471
  24  Al  3.914670402946  3.855406933302  0.129871570223  -0.114453169034  0.028881757450  -0.880827363435  0.001371822697  -0.000999213251  0.001328895253
  25  Al  3.839241292809  5.949527798107  2.061742664345  0.512313612310  -0.350926632017  -0.651494726456  0.000302946007  0.003137978644  0.001841625206
  26  Al  5.745901285811  3.984798380159  1.860931196053  0.443363546957  -0.575853418461  0.576206138738  -0.001286983648  0.002294673581  -0.000998674731
  27  Al  5.759113762189  5.866520296548  0.104527788519  0.029396006562  -0.404279267765  -1.068062364137  -0.001822096603  0.000191806943  0.000351049987
  28  Al  3.904880623524  3.938121568887  3.976184399346  -0.113597674479  -0.163819578751  -0.314021347807  0.000562456313  0.001606121760  0.001425803253
  29  Al  3.786485478275  5.853272275595  6.004287944671  0.569719337826  -0.129408480997  -0.494756759897  -0.000558677052  0.000669013382  0.003873821314
  30  Al  5.845716972140  3.767977277427  5.854500855284  -0.248382911178  0.994876662318  -0.430856553881  0.000255169000  -0.000916503423  -0.000377948944
  31  Al  5.918148065583  5.775328712390  3.862710937529  -0.617004645858  0.320289014683  0.078875492322  0.001388885815  -0.000350405055  -0.001258393769


MDSTEP:  64
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.749083094298  0.000000000000  0.000000000000
  0.000000000000  7.751132808447  0.000000000000
  0.000000000000  0.000000000000  7.772583145464
VIRIAL (kbar)
  48.711070296087  -0.091007445566  1.117813461634
  -0.091007445566  47.412685478105  -1.618906827437
  1.117813461634  -1.618906827437  58.647580960015
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.640177889917  7.712661574927  7.694438456717  0.615337033448  0.001860706809  0.009231632551  -0.001356277893  -0.001171498243  -0.003095206417
  1  Al  7.705492280516  1.860841231714  1.822702637611  0.257592441243  0.400475053979  0.277685373864  -0.000171194109  -0.001186392259  -0.003258506381
  2  Al  1.864905793677  7.641853147019  1.893451455987  0.035401302408  0.935247084996  0.395560565991  -0.002116576462  -0.001105330647  -0.000190827272
  3  Al  1.856780551833  1.894146555035  7.729041457320  0.149453330294  -0.037599800643  0.099430721033  -0.002308276029  -0.001677215559  -0.001991854408
  4  Al  0.038329023192  7.662227738405  4.042580197128  0.101856982383  0.449768033753  -1.058961338872  0.002073297065  -0.001708812016  0.001524001827
  5  Al  0.016987920711  1.929969275100  5.887772716905  -0.061247704110  -0.039599094664  -0.487719806658  0.000479969623  -0.000577381749  0.000366792850
  6  Al  1.898366914890  0.001580977536  5.811869924763  0.278417804297  -0.008369923825  0.296118992390  -0.000894429160  0.000866486657  0.000414520999
  7  Al  1.921035401086  1.953785123750  3.963320311827  -0.107594027188  -0.156262115218  -0.363483254722  -0.001013937538  -0.000182446257  0.001834655248
  8  Al  7.697530534627  3.976508636865  7.627724271234  0.138403971026  -0.377858992749  0.778935776988  -0.001336336497  0.001916367020  -0.002295532078
  9  Al  0.037378290071  5.794448685137  1.940928855524  -0.195068935479  -0.061393581574  0.005820144198  0.000797438427  -0.000844291731  0.000324170589
  10  Al  1.995781886564  3.779300866280  1.946183118692  -0.473382169767  0.474217438875  0.339852807921  0.000315032385  -0.000600389129  0.001617465590
  11  Al  1.953029699131  5.852751728704  0.144719154833  -0.096764873873  -0.222563018233  -0.627107472941  -0.000213369451  0.000782522200  0.003623769148
  12  Al  7.710393564386  3.914869919335  3.799283533389  0.554948792841  -0.414768426259  0.310956374945  0.000979338030  0.000245011404  -0.001459038822
  13  Al  0.008475607848  5.769424739759  5.732992081560  -0.072402646122  0.031082237027  0.575318375538  0.000022554593  -0.001348166383  -0.001317897124
  14  Al  1.906127181948  3.814511071823  5.862067384760  0.111020572262  0.224931405354  -0.360035330584  -0.001160596800  -0.002026968365  -0.000284433809
  15  Al  2.025698356832  5.819133105078  3.768436313593  -0.607993282029  -0.235490687943  0.799788797780  0.000507286021  -0.000732359011  -0.001932513123
  16  Al  4.011502375106  0.143656866499  0.014205567812  -0.407963791029  -0.641573340342  0.117823605097  0.003476541208  0.003080706155  0.001439143686
  17  Al  3.739833357750  1.819491326030  1.922982027545  0.698811140902  0.468137384497  0.169146331658  -0.001696876846  -0.002420811715  -0.000323981348
  18  Al  5.896165269376  7.632503543273  1.812805695387  -0.365713842151  0.794847744312  0.768014343498  0.000904102668  -0.001932727750  -0.001875682988
  19  Al  5.839037109410  2.052282562521  7.607034926037  -0.126028235892  -0.813413986928  1.141148634270  -0.000172921654  0.000861894366  -0.002395463243
  20  Al  3.906693774503  0.129895240879  3.897945545559  -0.222536848819  -0.673521181704  0.103268086796  0.000182208052  0.001739798895  0.000410131425
  21  Al  3.909579712626  1.906793070312  5.874571758964  -0.179664725635  0.341106836956  -0.083169967339  0.000896967456  0.000208360905  0.001809744812
  22  Al  5.813032278743  0.033629712363  5.855088085861  -0.134567832266  -0.096163837466  -0.032365710481  -0.000239893519  0.001706086775  0.001093212898
  23  Al  5.909774530973  1.959299479235  3.867514754044  -0.350090862011  -0.050755712583  0.048469604239  0.001749770900  0.000518443536  0.000343654525
  24  Al  3.912204324198  3.851817864290  0.130409163546  -0.124712042600  0.032288142349  -0.891584161720  0.001352101983  -0.000994958102  0.001171805433
  25  Al  3.836329308787  5.946312046773  2.061243387140  0.520038651138  -0.356945401363  -0.663713960618  0.000395663638  0.003078477827  0.001725990536
  26  Al  5.740658322633  3.982725846377  1.859201834956  0.455411335868  -0.594021282149  0.586443810076  -0.001208154704  0.002192817932  -0.000895766876
  27  Al  5.753574069333  5.861895315469  0.104585093192  0.032139336746  -0.409385893274  -1.086615686572  -0.001818814910  0.000119254977  0.000158700698
  28  Al  3.902017686831  3.935760516975  3.974200473153  -0.115529148309  -0.170682050658  -0.314949097355  0.000542646176  0.001578155049  0.001371097896
  29  Al  3.783187569912  5.848908848532  6.002151733663  0.570596954260  -0.131000581236  -0.502450635451  -0.000457352754  0.000646533429  0.003788847544
  30  Al  5.841134092905  3.764542821280  5.850342247684  -0.251974500452  1.013459547016  -0.439450867239  0.000210721320  -0.000737965924  -0.000456208580
  31  Al  5.914057462802  5.770538047525  3.859478760486  -0.626194181385  0.323947292890  0.088593311717  0.001279371085  -0.000293202287  -0.001244786345


MDSTEP:  65
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.743003660734  0.000000000000  0.000000000000
  0.000000000000  7.745066221026  0.000000000000
  0.000000000000  0.000000000000  7.767513389082
VIRIAL (kbar)
  51.616984001665  -0.080114860344  1.181561392008
  -0.080114860344  50.282248191360  -1.564760702933
  1.181561392008  -1.564760702933  61.591262631616
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.633533106602  7.706039306261  7.687872148601  0.624355469847  -0.000734081155  0.019246426999  -0.001247036062  -0.001172823584  -0.003096022657
  1  Al  7.699372939874  1.858809375885  1.819896564819  0.257656218727  0.405963941243  0.287251328172  -0.000125311789  -0.001115697402  -0.003211514894
  2  Al  1.862385774881  7.635361094657  1.892138672142  0.034910406682  0.954721836156  0.401278430276  -0.002112867368  -0.000937611135  -0.000119758941
  3  Al  1.854176133332  1.891823593702  7.723008403838  0.156581871357  -0.036707094617  0.113136409905  -0.002283714253  -0.001685904357  -0.001975005230
  4  Al  0.039340374676  7.655396241816  4.040658222430  0.097004359466  0.459016957202  -1.073170337080  0.002093613804  -0.001629597878  0.001334942911
  5  Al  0.017211892666  1.928168221837  5.884093991670  -0.065434118396  -0.037807489213  -0.497894357458  0.000469222617  -0.000585008945  0.000279030167
  6  Al  1.896442707800  0.002012702381  5.808299603069  0.289333207104  -0.020581499513  0.299245871466  -0.000844732076  0.000864951657  0.000468225689
  7  Al  1.919016394935  1.952157727841  3.961636472789  -0.107363056137  -0.157832207818  -0.375481366809  -0.001034402515  -0.000210765319  0.001770550008
  8  Al  7.690829418570  3.974337843987  7.621635795381  0.144696887943  -0.383030167466  0.793007630761  -0.001312641284  0.001850635407  -0.002157419335
  9  Al  0.037739054072  5.789488558205  1.939825242567  -0.200047063988  -0.059328102570  0.001642115475  0.000763065979  -0.000856118554  0.000325190348
  10  Al  1.994352522360  3.776063846947  1.945737790995  -0.478913428478  0.470340330839  0.338271373745  0.000230229846  -0.000516625639  0.001679880175
  11  Al  1.951386446041  5.848552349632  0.146409010818  -0.093173166418  -0.227333235113  -0.649082778456  -0.000230620309  0.000743229830  0.003513554340
  12  Al  7.704859054426  3.911909863126  3.796089626471  0.558240527062  -0.423565335242  0.313764637105  0.001080111272  0.000170317446  -0.001404744270
  13  Al  0.008477003042  5.764236339021  5.728619290105  -0.071466024431  0.035510166943  0.582768843805  0.000009712467  -0.001343850622  -0.001215740622
  14  Al  1.904056294636  3.810521913296  5.858085448569  0.118114494150  0.239079013081  -0.364085204947  -0.001141514777  -0.001987928353  -0.000349514079
  15  Al  2.024335654805  5.814201857691  3.765047582726  -0.613958730808  -0.234838007736  0.820031415899  0.000398596042  -0.000775323283  -0.001789723401
  16  Al  4.010075622258  0.145056446886  0.014921293144  -0.424756222682  -0.660376035978  0.110769759945  0.003406289749  0.002967992005  0.001461154830
  17  Al  3.736081928394  1.816877514815  1.921573273401  0.701370523018  0.477723370528  0.175477980152  -0.001573693885  -0.002339147758  -0.000293507441
  18  Al  5.891975323682  7.625598747982  1.810719548306  -0.359123205651  0.813285520582  0.781277638655  0.000840365407  -0.001791226768  -0.001739140122
  19  Al  5.834364064843  2.051070994827  7.600926154255  -0.116008654042  -0.822832604575  1.165377478940  -0.000194783646  0.000716574958  -0.002191752096
  20  Al  3.903710013290  0.130633567218  3.895612790151  -0.227152520006  -0.681869600674  0.110085965212  0.000142203699  0.001620671851  0.000429661220
  21  Al  3.906953059234  1.905420122711  5.871641352207  -0.191125086723  0.343055647446  -0.094131313641  0.000864892430  0.000269815554  0.001795852198
  22  Al  5.808345761219  0.034452320836  5.851814314974  -0.135756180851  -0.110259109364  -0.040635442345  -0.000264367561  0.001689698341  0.001087871076
  23  Al  5.905997531165  1.958023001684  3.865166153219  -0.349525310620  -0.052871561699  0.041147111633  0.001689320800  0.000509804799  0.000352044014
  24  Al  3.909805683159  3.848307014867  0.130870290520  -0.138955882616  0.036860944549  -0.902111289578  0.001330164344  -0.000989983658  0.001012636251
  25  Al  3.833540681531  5.943181660197  2.060732439730  0.523091780302  -0.360304330275  -0.674397383070  0.000489458207  0.003018064626  0.001608174699
  26  Al  5.735570712191  3.980678783966  1.857567375076  0.469007429843  -0.609989779439  0.597288800863  -0.001126934770  0.002087783876  -0.000790857716
  27  Al  5.748152017775  5.857348727615  0.104547688242  0.037167115384  -0.410828342065  -1.104182107527  -0.001814832704  0.000046028793  -0.000037089455
  28  Al  3.899222633207  3.933461731339  3.972279877787  -0.121208542931  -0.176272090176  -0.315052199525  0.000522130651  0.001549039815  0.001316235468
  29  Al  3.780016293667  5.844648559414  6.000109139353  0.567433529762  -0.129914257924  -0.511096818346  -0.000356109010  0.000623980637  0.003702305015
  30  Al  5.836645638250  3.761272643990  5.846278504860  -0.253009711652  1.031565231368  -0.448709485372  0.000165805388  -0.000555928851  -0.000536148560
  31  Al  5.910029515669  5.765889456413  3.856342803442  -0.631986914216  0.330151972673  0.098960865143  0.001168381610  -0.000235047488  -0.001229362691


MDSTEP:  66
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.737086103675  0.000000000000  0.000000000000
  0.000000000000  7.739158307256  0.000000000000
  0.000000000000  0.000000000000  7.762628614965
VIRIAL (kbar)
  54.452518725359  -0.068690803807  1.245051989747
  -0.068690803807  53.095714729373  -1.508169143756
  1.245051989747  -1.508169143756  64.452412343716
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.627103452120  7.699574586233  7.681489960811  0.627765553240  -0.001777227352  0.030331860269  -0.001136547740  -0.001174474963  -0.003094938877
  1  Al  7.693437570221  1.856851647484  1.817158801320  0.252627536119  0.414937077133  0.294907306812  -0.000079817526  -0.001043621874  -0.003162917937
  2  Al  1.859907344306  7.629110612559  1.890906797002  0.038267595666  0.974218197069  0.405077634327  -0.002108894664  -0.000766200596  -0.000047761727
  3  Al  1.851623970965  1.889535735162  7.717168949553  0.167288036855  -0.032055071974  0.127659734280  -0.002257524256  -0.001694106291  -0.001955604118
  4  Al  0.040361684619  7.648762256760  4.038736829985  0.087134599220  0.468808070822  -1.086901426990  0.002112635664  -0.001548582740  0.001143173932
  5  Al  0.017430478619  1.926403161487  5.880510945485  -0.074879753899  -0.032220116482  -0.505908808999  0.000457242478  -0.000591984845  0.000189544113
  6  Al  1.894583827216  0.002442820110  5.804894461490  0.303762799447  -0.031753671957  0.303691851216  -0.000792706146  0.000861322281  0.000522663954
  7  Al  1.917027680655  1.950556169055  3.960013803882  -0.103093133261  -0.155792730718  -0.387789946642  -0.001054488493  -0.000239076676  0.001704193320
  8  Al  7.684301733304  3.972214640825  7.615799244493  0.145794406149  -0.390065756612  0.807224871798  -0.001288254421  0.001783730276  -0.002016616969
  9  Al  0.038082891952  5.784641547293  1.938768045132  -0.209715190593  -0.060649384643  -0.004078376700  0.000727340508  -0.000867892466  0.000325324390
  10  Al  1.992922088688  3.772946121908  1.945369414347  -0.479860214045  0.464852421357  0.334367744799  0.000144744185  -0.000433597507  0.001741864482
  11  Al  1.949775608205  5.844452631344  0.148045104064  -0.085619929543  -0.235141934322  -0.670212056625  -0.000246894936  0.000702763773  0.003399349024
  12  Al  7.699535769369  3.908992121561  3.793013862185  0.555877867601  -0.433357639453  0.315808804510  0.001181089054  0.000093869566  -0.001349950653
  13  Al  0.008472188565  5.759168907418  5.724434755007  -0.074894613077  0.036474759747  0.591117567631  -0.000003368238  -0.001339046078  -0.001112054806
  14  Al  1.902035520342  3.806631754343  5.854210395297  0.128457131044  0.252025718477  -0.366201819153  -0.001120848279  -0.001946415440  -0.000415214984
  15  Al  2.022960474428  5.809368559990  3.761821430089  -0.615144702411  -0.237187241899  0.838805574045  0.000289133380  -0.000818490941  -0.001643281023
  16  Al  4.008695486272  0.146400619169  0.015647600337  -0.437417861517  -0.676894473969  0.104146684045  0.003333313565  0.002851978535  0.001481960088
  17  Al  3.732470959872  1.814343116186  1.920225903932  0.708584306069  0.490869688092  0.180033495961  -0.001449484560  -0.002255348925  -0.000262025366
  18  Al  5.887876637250  7.618922489467  1.808745984029  -0.356080325207  0.831826776890  0.792234292838  0.000777411160  -0.001646244133  -0.001600275142
  19  Al  5.829802580150  2.049828045293  7.595102096427  -0.109347855666  -0.827559416427  1.188864488426  -0.000215179907  0.000569812725  -0.001983542349
  20  Al  3.900787587808  0.131313969953  3.893382745082  -0.226784535784  -0.688153372574  0.116097797884  0.000101770443  0.001500089540  0.000450357907
  21  Al  3.904391190325  1.904116940430  5.868842760330  -0.197518759620  0.347933891410  -0.103343359188  0.000831180103  0.000331955466  0.001780132199
  22  Al  5.803768478787  0.035266152352  5.848676512457  -0.140444749495  -0.122547733080  -0.047572646136  -0.000289396804  0.001670928377  0.001081158477
  23  Al  5.902313129906  1.956782024515  3.862913357333  -0.352844436099  -0.051665660333  0.033240240972  0.001628548568  0.000501073715  0.000359078829
  24  Al  3.907476653236  3.844878081976  0.131254109924  -0.148340307080  0.039716614474  -0.911082578546  0.001306084639  -0.000984337808  0.000851545921
  25  Al  3.830879071615  5.940141489489  2.060210633674  0.530239726595  -0.366635549628  -0.685968316190  0.000584278981  0.002956708502  0.001488233448
  26  Al  5.730644690002  3.978659203591  1.856030375198  0.478829683668  -0.627252687622  0.605849798078  -0.001043519561  0.001979647533  -0.000684095495
  27  Al  5.742853058682  5.852885421880  0.104414051195  0.039175460555  -0.415366490273  -1.119817505897  -0.001810213927  -0.000027821533  -0.000236061625
  28  Al  3.896498377037  3.931228115287  3.970426007726  -0.122010625741  -0.183372706630  -0.315783922140  0.000501009668  0.001518752596  0.001261233111
  29  Al  3.776974692577  5.840496533913  5.998164565102  0.568463913380  -0.131885015890  -0.518139677154  -0.000254932243  0.000601320749  0.003614249088
  30  Al  5.832256623197  3.758171622613  5.842313757031  -0.257130688940  1.047030389600  -0.455102886853  0.000120373267  -0.000370666727  -0.000617572936
  31  Al  5.906068883970  5.761388454857  3.853307259390  -0.641140933628  0.332640276766  0.108443579322  0.001055918348  -0.000176044095  -0.001212141371


MDSTEP:  67
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.731336933013  0.000000000000  0.000000000000
  0.000000000000  7.733415488330  0.000000000000
  0.000000000000  0.000000000000  7.757935156765
VIRIAL (kbar)
  57.218813376768  -0.056732664997  1.311353543251
  -0.056732664997  55.829475642513  -1.445228822378
  1.311353543251  -1.445228822378  67.236107870558
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.620895649788  7.693273686258  7.675299085446  0.635159650881  -0.004355572174  0.040699888266  -0.001024956433  -0.001176450708  -0.003091919920
  1  Al  7.687692203410  1.854970384218  1.814491456606  0.251836127628  0.420610634739  0.304362179462  -0.000034788378  -0.000970147090  -0.003112722597
  2  Al  1.857472325520  7.623109795471  1.889757727535  0.038931848646  0.990778105479  0.410129709445  -0.002104553619  -0.000591355232  0.000025105198
  3  Al  1.849126540152  1.887284927632  7.711530651494  0.175457772530  -0.030073677896  0.140861152797  -0.002229609822  -0.001701722508  -0.001933692636
  4  Al  0.041392151147  7.642332991536  4.036818070755  0.081252176179  0.476927631287  -1.098926242734  0.002130267802  -0.001465864815  0.000948888492
  5  Al  0.017642855386  1.924676178631  5.877027644642  -0.080119819985  -0.029562330600  -0.515300526592  0.000443933246  -0.000598230860  0.000098403557
  6  Al  1.892793152566  0.002870350284  5.801659656792  0.314504176847  -0.043711050510  0.306119386539  -0.000738363836  0.000855618296  0.000577773289
  7  Al  1.915071227430  1.948982237223  3.958454458131  -0.101916849906  -0.156497131049  -0.398740155914  -0.001074109847  -0.000267302703  0.001635676242
  8  Al  7.677954021850  3.970141715096  7.610222090400  0.151479821156  -0.395252305893  0.819804245095  -0.001263228813  0.001715648056  -0.001873255848
  9  Al  0.038408978296  5.779912314024  1.937758340713  -0.214936845667  -0.058694476769  -0.008083553971  0.000690238306  -0.000879622834  0.000324587058
  10  Al  1.991492162131  3.769950340336  1.945079277886  -0.483417994706  0.460863848286  0.331638543628  0.000058751270  -0.000351315541  0.001803313969
  11  Al  1.948199492919  5.840456730098  0.149625714950  -0.081238812936  -0.239869630376  -0.690604478631  -0.000262121356  0.000661126132  0.003281289831
  12  Al  7.694430021851  3.906119047826  3.790059500820  0.557305667217  -0.441056054799  0.318864432929  0.001282103997  0.000015763996  -0.001294635134
  13  Al  0.008460862133  5.754227284027  5.720443891725  -0.074219918081  0.040865497594  0.597140976728  -0.000016711203  -0.001333754817  -0.001006966057
  14  Al  1.900067366016  3.802844881094  5.850446789154  0.135642360281  0.265533586953  -0.369561366624  -0.001098586687  -0.001902482943  -0.000481474653
  15  Al  2.021574393885  5.804637796396  3.758762599628  -0.619345485739  -0.236412573540  0.856832160416  0.000179055108  -0.000861850822  -0.001493380768
  16  Al  4.007364259179  0.147688059599  0.016383946444  -0.453879546658  -0.694720893774  0.096837160797  0.003257637403  0.002732747853  0.001501534372
  17  Al  3.729004235340  1.811890784135  1.918941894291  0.710666374189  0.500814059990  0.185865444144  -0.001324289917  -0.002169379588  -0.000229578885
  18  Al  5.883874438080  7.612482745435  1.806887453366  -0.349403043249  0.847778803516  0.803661452277  0.000715248408  -0.001497997426  -0.001459250237
  19  Al  5.825358147197  2.048554971631  7.589571051458  -0.099560809192  -0.834246628174  1.209623829623  -0.000234129284  0.000421850247  -0.001771140374
  20  Al  3.897929806321  0.131935999954  3.891259138635  -0.230607367956  -0.695806365768  0.122571931358  0.000060978743  0.001378111882  0.000472191596
  21  Al  3.901896828805  1.902885559477  5.866179983188  -0.208306779838  0.349743676523  -0.113935891910  0.000795888289  0.000394768751  0.001762615097
  22  Al  5.799304884288  0.036070166697  5.845678851979  -0.141488184426  -0.135964754260  -0.056094410505  -0.000314968742  0.001649833851  0.001073050605
  23  Al  5.898726016135  1.955578287140  3.860758820577  -0.352432648942  -0.053256449033  0.026643758104  0.001567439382  0.000492296904  0.000364822205
  24  Al  3.905219704173  3.841534492688  0.131559910405  -0.162125042511  0.043923939944  -0.919678914876  0.001279900718  -0.000978051944  0.000688706101
  25  Al  3.828348373562  5.937195942624  2.059678621656  0.531868872106  -0.370156268259  -0.695392600838  0.000679999261  0.002894392463  0.001366277461
  26  Al  5.725885952978  3.976668878961  1.854593123338  0.490848942835  -0.641711039329  0.615345243705  -0.000958047154  0.001868539432  -0.000575599545
  27  Al  5.737682168237  5.848509832164  0.104182821453  0.044300974784  -0.416196061431  -1.134074615896  -0.001804948139  -0.000102241776  -0.000437921339
  28  Al  3.893848130565  3.929062319381  3.968642052368  -0.127258334014  -0.188847672702  -0.315863483181  0.000479320904  0.001487301552  0.001206092657
  29  Al  3.774066053442  5.836457448754  5.996322334080  0.564676289860  -0.131114550776  -0.526658705993  -0.000153878524  0.000578525121  0.003524688523
  30  Al  5.827971579109  3.755244290640  5.838452168612  -0.257661541311  1.061913361178  -0.462390808394  0.000074469511  -0.000182464089  -0.000700306006
  31  Al  5.902179715490  5.757040054826  3.850376097678  -0.646012030020  0.337752341622  0.118304260745  0.000942061717  -0.000116288840  -0.001193165340


MDSTEP:  68
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.725762394391  0.000000000000  0.000000000000
  0.000000000000  7.727843897499  0.000000000000
  0.000000000000  0.000000000000  7.753439079291
VIRIAL (kbar)
  59.905768541059  -0.044655369082  1.378153725826
  -0.044655369082  58.493351071669  -1.378946393899
  1.378153725826  -1.378946393899  69.925569465726
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.614916521063  7.687142452728  7.669306381903  0.638301478199  -0.005442983972  0.052359219366  -0.000912284701  -0.001178754586  -0.003086910910
  1  Al  7.682142988523  1.853167561194  1.811896736879  0.247277044650  0.428472154358  0.312085090725  0.000009816941  -0.000895370526  -0.003060920168
  2  Al  1.855082235904  7.617366197009  1.888693409680  0.042104400950  1.007258951878  0.413418020275  -0.002099859240  -0.000413340846  0.000098796334
  3  Al  1.846686025252  1.885072808483  7.706100680556  0.185771114032  -0.025668375474  0.155028732023  -0.002200002960  -0.001708773503  -0.001909299185
  4  Al  0.042431329843  7.636115221735  4.034904002790  0.071652696219  0.485527982152  -1.110488980556  0.002146531548  -0.001381548073  0.000752279313
  5  Al  0.017848574935  1.922989023653  5.873647825591  -0.089360270834  -0.024363531685  -0.522691300886  0.000429311486  -0.000603780549  0.000005663365
  6  Al  1.891073170188  0.003294242417  5.798599966659  0.327348618343  -0.054414758015  0.309509527931  -0.000681843960  0.000847878678  0.000633459146
  7  Al  1.913148660837  1.947437403234  3.956960571896  -0.098025274863  -0.155008840762  -0.410135330789  -0.001093299232  -0.000295492385  0.001565078046
  8  Al  7.671792974532  3.968121771504  7.604911397860  0.153313125820  -0.402163277454  0.832676691559  -0.001237497314  0.001646397815  -0.001727454031
  9  Al  0.038716883214  5.775305596473  1.936797293119  -0.223562230116  -0.058839930020  -0.013444357461  0.000651850766  -0.000891203950  0.000323009435
  10  Al  1.990064015218  3.767079146945  1.944868711917  -0.483817676074  0.455288825505  0.326855406381  -0.000027700276  -0.000269788512  0.001864147911
  11  Al  1.946660056815  5.836568859335  0.151149183380  -0.074379501920  -0.246243874213  -0.709577107657  -0.000276360175  0.000618443596  0.003159565112
  12  Al  7.689548204667  3.903293034247  3.787229762267  0.554322414513  -0.449534532359  0.321028483687  0.001383099587  -0.000063883526  -0.001238786358
  13  Al  0.008443087542  5.749416398869  5.716651712119  -0.077066000415  0.043147733017  0.603627369435  -0.000030264581  -0.001327857734  -0.000900640006
  14  Al  1.898153991267  3.799165488117  5.846798877857  0.144677144869  0.277586779441  -0.371206374449  -0.001074844577  -0.001856207040  -0.000548250613
  15  Al  2.020178649569  5.800014212302  3.755875642051  -0.620281235325  -0.237309840688  0.872883080944  0.000068383192  -0.000905272722  -0.001340263273
  16  Al  4.006083756874  0.148917320614  0.017129728425  -0.467453872660  -0.710446757132  0.090196608782  0.003179174963  0.002610365947  0.001519873874
  17  Al  3.725684954243  1.809522819696  1.917723268221  0.715748574565  0.512957495265  0.190210602272  -0.001198299239  -0.002081326001  -0.000196185987
  18  Al  5.879974077066  7.606286982170  1.805146389910  -0.344648941617  0.863700222093  0.812757026281  0.000654031059  -0.001346716732  -0.001316230254
  19  Al  5.821036337744  2.047252775888  7.584340817046  -0.091480236161  -0.837582561426  1.229649277390  -0.000251502821  0.000272810715  -0.001554852547
  20  Al  3.895139468006  0.132499078324  3.889245606966  -0.230962123358  -0.701430989176  0.128191044270  0.000019763639  0.001254795823  0.000495127941
  21  Al  3.899472170806  1.901727673063  5.863656694780  -0.215403547199  0.353185918128  -0.123171098228  0.000758951901  0.000458127387  0.001743296211
  22  Al  5.794959557034  0.036863221997  5.842825163503  -0.144455899553  -0.147722063569  -0.063565497261  -0.000340929840  0.001626458713  0.001063497766
  23  Al  5.895241010472  1.954413206372  3.858704980762  -0.354281231880  -0.052680627470  0.019460942979  0.001506123814  0.000483417730  0.000369337282
  24  Al  3.903036778948  3.838279651205  0.131787004883  -0.172489829323  0.046533042152  -0.926412060337  0.001251521773  -0.000971146877  0.000524316395
  25  Al  3.825951861367  5.934349458692  2.059137174087  0.535983603445  -0.375468120479  -0.705556212648  0.000776348092  0.002831205281  0.001242431006
  26  Al  5.721300200691  3.974709684476  1.853257929912  0.500482432796  -0.657111814604  0.622793566214  -0.000870531770  0.001754621941  -0.000465468329
  27  Al  5.732644403626  5.844226503761  0.103852750761  0.047997625079  -0.418684304217  -1.145949418336  -0.001798882624  -0.000177048984  -0.000642333110
  28  Al  3.891274575250  3.926966993566  3.966931121376  -0.129010576012  -0.195791956514  -0.316720248650  0.000456978513  0.001454698612  0.001150802741
  29  Al  3.771293106109  5.832536008305  5.994586430149  0.563770875015  -0.132109099429  -0.533832712919  -0.000053121475  0.000555680695  0.003433609164
  30  Al  5.823795157739  3.752494995610  5.834697618201  -0.259652667658  1.074015777377  -0.467247784806  0.000028284209  0.000008381355  -0.000784210588
  31  Al  5.898366336510  5.752849290272  3.847553187779  -0.652420033527  0.340343357289  0.127267794469  0.000827055620  -0.000055771742  -0.001172478761


MDSTEP:  69
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.720368449749  0.000000000000  0.000000000000
  0.000000000000  7.722449413308  0.000000000000
  0.000000000000  0.000000000000  7.749146142692
VIRIAL (kbar)
  62.510317136117  -0.032113681200  1.445727124795
  -0.032113681200  61.067955991383  -1.305194568980
  1.445727124795  -1.305194568980  72.526506932095
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.609172230355  7.681186610680  7.663518521319  0.644733095188  -0.007814121047  0.063580382606  -0.000798617418  -0.001181367869  -0.003079832004
  1  Al  7.676795456968  1.851445289706  1.809376621375  0.246128404003  0.433932593633  0.321880241368  0.000053965739  -0.000819309523  -0.003007477615
  2  Al  1.852738747114  7.611887118284  1.887715560083  0.042361402955  1.020991801309  0.418499487263  -0.002094846494  -0.000232406987  0.000173314343
  3  Al  1.844304733560  1.882901167917  7.700885990707  0.193133066232  -0.023179654227  0.168270144257  -0.002168772910  -0.001715212338  -0.001882416896
  4  Al  0.043478444718  7.630115515791  4.032996560904  0.065392200424  0.492479086670  -1.120658213230  0.002161390261  -0.001295734749  0.000553511674
  5  Al  0.018046830632  1.921343610127  5.870375169588  -0.095188289269  -0.021207141823  -0.531784921630  0.000413322863  -0.000608588146  -0.000088650505
  6  Al  1.889426486513  0.003713558121  5.795720029471  0.336395675565  -0.065886435251  0.310280789947  -0.000623295367  0.000838144020  0.000689573088
  7  Al  1.911261777397  1.945923268693  3.955534085072  -0.097370699103  -0.155681035258  -0.420599967678  -0.001112102147  -0.000323642541  0.001492439965
  8  Al  7.665824655290  3.966157229069  7.599873962502  0.158769517647  -0.407539982533  0.844127071278  -0.001211079054  0.001575960591  -0.001579310666
  9  Al  0.039005870298  5.770825753422  1.935885868928  -0.228491148741  -0.056584323444  -0.016637418630  0.000612202371  -0.000902608252  0.000320663130
  10  Al  1.988639127001  3.764334922463  1.944738790263  -0.487145228748  0.450832327925  0.323641372270  -0.000114589980  -0.000189059383  0.001924320738
  11  Al  1.945159406116  5.832792892014  0.152613968604  -0.071027101983  -0.250154906059  -0.727531085787  -0.000289702009  0.000574787816  0.003034388891
  12  Al  7.684896038280  3.900516271972  3.784527638589  0.554205675859  -0.456096971216  0.323843416853  0.001483936448  -0.000144972906  -0.001182425308
  13  Al  0.008418613033  5.744740802996  5.713063047580  -0.076552345833  0.047980791300  0.607276952957  -0.000044042952  -0.001321313897  -0.000793288396
  14  Al  1.896297651339  3.795597514830  5.843270829911  0.150150046189  0.290135305422  -0.374497285038  -0.001049772901  -0.001807669974  -0.000615536289
  15  Al  2.018774692190  5.795502110277  3.753164788132  -0.624293642291  -0.235590457048  0.888068822724  -0.000042865736  -0.000948671588  -0.001184180235
  16  Al  4.004855906402  0.150087135692  0.017884404122  -0.484117589683  -0.727058915296  0.083145161702  0.003097903568  0.002484936817  0.001536999440
  17  Al  3.722516450210  1.807241661947  1.916571842268  0.716434706112  0.522578551983  0.196401935760  -0.001071636439  -0.001991213882  -0.000161813784
  18  Al  5.876180516263  7.600342416415  1.803524951581  -0.336064735419  0.877304230041  0.822798446964  0.000593930810  -0.001192608347  -0.001171337945
  19  Al  5.816842356825  2.045922687809  7.579418833465  -0.079967343303  -0.841791145414  1.247228164171  -0.000267144011  0.000122915001  -0.001334960816
  20  Al  3.892419537727  0.133002800367  3.887345558413  -0.234826473238  -0.708105228557  0.133976670479  -0.000021878908  0.001130227164  0.000519106053
  21  Al  3.897119598526  1.900645060118  5.861276460691  -0.226007627162  0.354164041966  -0.134276635941  0.000720385194  0.000521957165  0.001722127111
  22  Al  5.790736690302  0.037644323902  5.840119141723  -0.143669136633  -0.160484642442  -0.073166827217  -0.000367116552  0.001600858030  0.001052401451
  23  Al  5.891862514567  1.953288328482  3.856754071877  -0.352327272594  -0.054083382832  0.013084310820  0.001444739103  0.000474452686  0.000372642186
  24  Al  3.900929982836  3.835116691745  0.131934862640  -0.186220975915  0.050159653013  -0.932338727601  0.001220949440  -0.000963673354  0.000358615483
  25  Al  3.823692894537  5.931606121723  2.058586911226  0.535252031114  -0.378524623016  -0.712862383621  0.000873114203  0.002767186281  0.001116882283
  26  Al  5.716892711571  3.972783276938  1.852026852897  0.512694710588  -0.670227770107  0.631505921177  -0.000780953649  0.001638011323  -0.000353771122
  27  Al  5.727744482376  5.840039638563  0.103422792134  0.055195179613  -0.418416901721  -1.156187019840  -0.001791830183  -0.000252145117  -0.000848937606
  28  Al  3.888780561777  3.924944527175  3.965296098375  -0.134255144485  -0.201315051557  -0.317217183828  0.000433981861  0.001420937485  0.001095325932
  29  Al  3.768658702518  5.828736566750  5.992960721933  0.558747435744  -0.130957720720  -0.543043961138  0.000047227532  0.000532821304  0.003340946844
  30  Al  5.819731665012  3.749927719103  5.831053968793  -0.257717324508  1.085417209649  -0.473285133266  -0.000017962163  0.000201560616  -0.000869174792
  31  Al  5.894632716412  5.748820782084  3.844842167693  -0.654351068324  0.344724816658  0.136477471850  0.000711161801  0.000005442555  -0.001150137705


MDSTEP:  70
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.715160776732  0.000000000000  0.000000000000
  0.000000000000  7.717237616462  0.000000000000
  0.000000000000  0.000000000000  7.745061826055
VIRIAL (kbar)
  65.026057785473  -0.021017664014  1.515028039907
  -0.021017664014  63.561886530650  -1.229111838297
  1.515028039907  -1.229111838297  75.020418076565
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.603668958975  7.675411472899  7.657941855648  0.645933871367  -0.008679519972  0.075154210433  -0.000684127280  -0.001184270486  -0.003070687293
  1  Al  7.671655163660  1.849805396861  1.806933208363  0.240630806082  0.441764528984  0.329421151157  0.000097573224  -0.000741965150  -0.002952408703
  2  Al  1.850443200212  7.606679327175  1.886825989985  0.046888138284  1.034444342277  0.420746069380  -0.002089392843  -0.000048821793  0.000248565962
  3  Al  1.841984639929  1.880771550542  7.695893173562  0.204764290649  -0.017541465697  0.181379843144  -0.002135798920  -0.001720927122  -0.001853137183
  4  Al  0.044533018821  7.624340002206  4.031097651791  0.054527758299  0.500105725166  -1.129251326175  0.002174727919  -0.001208509929  0.000352850999
  5  Al  0.018237119819  1.919741594402  5.867212989245  -0.105493067778  -0.015296358943  -0.538331439046  0.000395870403  -0.000612588743  -0.000184463054
  6  Al  1.887855300613  0.004127290211  5.793024041806  0.349303664355  -0.075999621740  0.313047921603  -0.000562709949  0.000826464372  0.000746058859
  7  Al  1.909412012337  1.944441165864  3.954176875802  -0.092173377636  -0.153185828757  -0.430381345460  -0.001130400657  -0.000351662755  0.001417904343
  8  Al  7.660055169531  3.964250490018  7.595116181079  0.160239199505  -0.414651852523  0.854871791342  -0.001184005282  0.001504316559  -0.001429014598
  9  Al  0.039275531217  5.766477134599  1.935025158335  -0.237296294476  -0.056663183634  -0.021891491451  0.000571275441  -0.000913829074  0.000317556746
  10  Al  1.987218638670  3.761720004540  1.944690660008  -0.485061867343  0.444842173371  0.317565450626  -0.000201695691  -0.000109166563  0.001983714501
  11  Al  1.943699261429  5.829132695312  0.154018613289  -0.062989182018  -0.256435918709  -0.745141006694  -0.000302040118  0.000530165889  0.002905879452
  12  Al  7.680479220883  3.897790970058  3.781956043647  0.549217677830  -0.463595938836  0.326788350904  0.001584433726  -0.000227417800  -0.001125481709
  13  Al  0.008387486382  5.740205053080  5.709682271669  -0.079918872523  0.050368754438  0.612218457478  -0.000058093041  -0.001314112456  -0.000685049224
  14  Al  1.894500213324  3.792144798901  5.839866451901  0.159737986661  0.301224343449  -0.375223613659  -0.001023320189  -0.001756954616  -0.000683248967
  15  Al  2.017363619464  5.791105801104  3.750634059833  -0.622905583011  -0.236453135464  0.902122759431  -0.000154483827  -0.000992043625  -0.001025308418
  16  Al  4.003682210865  0.151196151019  0.018647395649  -0.497149448504  -0.741433075417  0.075707462255  0.003013867274  0.002356577100  0.001552837555
  17  Al  3.719501529852  1.805049456175  1.915489529704  0.721096452493  0.535080033653  0.200137208626  -0.000944338522  -0.001899008189  -0.000126516117
  18  Al  5.872498842716  7.594655768897  1.802025319499  -0.331404207964  0.890753501870  0.829632979954  0.000534940700  -0.001035890172  -0.001024774732
  19  Al  5.812781501795  2.044565775543  7.574812054102  -0.072549580109  -0.842577649526  1.262917562482  -0.000281109823  -0.000027609196  -0.001111851170
  20  Al  3.889772521857  0.133446659351  3.885562276692  -0.234110743204  -0.712670673565  0.139873597080  -0.000063853401  0.001004499202  0.000544151367
  21  Al  3.894841036204  1.899639208518  5.859042467148  -0.232280116128  0.357426763854  -0.143042475360  0.000680259796  0.000586242029  0.001699147260
  22  Al  5.786640598578  0.038412386902  5.837564079297  -0.146773148521  -0.171301261785  -0.080824102097  -0.000393541009  0.001573112605  0.001039743003
  23  Al  5.888595052491  1.952204947663  3.854908260258  -0.354593824797  -0.053135334907  0.007154936636  0.001383247415  0.000465434780  0.000374847530
  24  Al  3.898900976190  3.832048691057  0.132003014939  -0.196371857094  0.052259373268  -0.937534917716  0.001188199767  -0.000955675821  0.000191741242
  25  Al  3.821574262413  5.928969988988  2.058028630679  0.537741794795  -0.384053675326  -0.721687176219  0.000970151738  0.002702314001  0.000989750201
  26  Al  5.712668786592  3.970891361494  1.850901999751  0.520183230301  -0.684255201536  0.637550728923  -0.000689502305  0.001518826947  -0.000240632957
  27  Al  5.722987222861  5.835953456983  0.102892033255  0.058673404551  -0.419772488256  -1.164961360652  -0.001783808307  -0.000327428709  -0.001057456991
  28  Al  3.886368484961  3.922997285219  3.963739754492  -0.135596294923  -0.208347599894  -0.317389651025  0.000410366846  0.001386008351  0.001039723387
  29  Al  3.766165190720  5.825063445105  5.991448678215  0.557327000865  -0.132303735537  -0.550002982318  0.000147121321  0.000509915342  0.003246718649
  30  Al  5.815785542112  3.747546242050  5.827524762598  -0.259606428141  1.093809536305  -0.476199510169  -0.000064260270  0.000396743587  -0.000955024577
  31  Al  5.890983004632  5.744959091535  3.842246558045  -0.659991381868  0.346274443391  0.145571916588  0.000594448185  0.000067261434  -0.001126128427


MDSTEP:  71
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.710144759581  0.000000000000  0.000000000000
  0.000000000000  7.712213820186  0.000000000000
  0.000000000000  0.000000000000  7.741191287692
VIRIAL (kbar)
  67.450064700562  -0.008068541139  1.583802541346
  -0.008068541139  65.956483333799  -1.147468870606
  1.583802541346  -1.147468870606  77.412524044326
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.598412134643  7.669822219563  7.652582449398  0.651677460317  -0.012184255561  0.086894209309  -0.000568875286  -0.001187563601  -0.003059426898
  1  Al  7.666726984296  1.848249859755  1.804568319451  0.239873609928  0.445575140467  0.338029213773  0.000140673412  -0.000663483539  -0.002895817247
  2  Al  1.848197246045  7.601749309206  1.886026181913  0.048867883634  1.043569088095  0.424111659274  -0.002083342655  0.000137004667  0.000324397413
  3  Al  1.839728030423  1.878685715851  7.691128490201  0.213694058148  -0.015488565269  0.193932664359  -0.002100937807  -0.001725955100  -0.001821518625
  4  Al  0.045594163879  7.618794607642  4.029209149321  0.048719247430  0.504463698532  -1.136887570193  0.002186581950  -0.001120103804  0.000150524253
  5  Al  0.018418538365  1.918184812076  5.864164578206  -0.111024931924  -0.012813017400  -0.545541451553  0.000376978753  -0.000615841253  -0.000281606078
  6  Al  1.886362086845  0.004534552681  5.790516141328  0.358568274281  -0.088372212832  0.313764214475  -0.000500065923  0.000812756463  0.000802910873
  7  Al  1.907601132944  1.942992641626  3.952890717825  -0.089924934971  -0.154469069255  -0.439531557905  -0.001148050892  -0.000379607193  0.001341587047
  8  Al  7.654489974919  3.962403662819  7.590644076961  0.166200497628  -0.418640454092  0.864668817264  -0.001156229639  0.001431588128  -0.001276712703
  9  Al  0.039525108514  5.762263680068  1.934215987120  -0.241179852290  -0.052788254279  -0.025629274611  0.000529161943  -0.000924720831  0.000313640651
  10  Al  1.985804096592  3.759236465535  1.944725135293  -0.485631648214  0.441576600038  0.312376089282  -0.000288770278  -0.000030004948  0.002042150024
  11  Al  1.942281687918  5.825591721312  0.155361681899  -0.058201368072  -0.258599571151  -0.761125154171  -0.000313244654  0.000484732966  0.002774209776
  12  Al  7.676302727572  3.895119115623  3.779517747350  0.548476341526  -0.467342063963  0.329805889418  0.001684533665  -0.000310967317  -0.001067937037
  13  Al  0.008349407595  5.735813287493  5.706513640165  -0.078465959841  0.056756974895  0.614930265895  -0.000072331031  -0.001306112911  -0.000576006502
  14  Al  1.892763840426  3.788810916686  5.836589534900  0.165907625976  0.314141607660  -0.376961477142  -0.000995422125  -0.001704024802  -0.000751249009
  15  Al  2.015946931440  5.786829161798  3.748287227642  -0.624587578965  -0.233088894682  0.914561288164  -0.000266262222  -0.001035240927  -0.000863892159
  16  Al  4.002564345109  0.152243204915  0.019418091341  -0.514652429236  -0.758340412233  0.068548344452  0.002926986754  0.002225256473  0.001567376313
  17  Al  3.716643217085  1.802948544366  1.914477946181  0.719963994538  0.543368663614  0.204776851723  -0.000816567808  -0.001804825211  -0.000090431191
  18  Al  5.868933568249  7.589233487925  1.800649317824  -0.323063283539  0.900123275032  0.836372303535  0.000477040447  -0.000876938246  -0.000876835612
  19  Al  5.808858482577  2.043183337416  7.570526956894  -0.061934303627  -0.845226187155  1.276529284745  -0.000293478292  -0.000178622179  -0.000885877397
  20  Al  3.887201186839  0.133830329097  3.883898896089  -0.238660399197  -0.719961669188  0.145268666458  -0.000106221225  0.000877555625  0.000570229512
  21  Al  3.892638646147  1.898711747175  5.856957867125  -0.243379869395  0.356806834640  -0.152691620601  0.000638529423  0.000650838912  0.001674484526
  22  Al  5.782675027215  0.039166498092  5.835163200994  -0.146229385245  -0.184583435533  -0.089574234281  -0.000420224859  0.001543172771  0.001025596590
  23  Al  5.885442546311  1.951164500712  3.853169592689  -0.353173020747  -0.055459984848  0.001640641781  0.001321600669  0.000456281308  0.000376029083
  24  Al  3.896951590641  3.829078456118  0.131991047259  -0.210752311450  0.056888524302  -0.941336954709  0.001153211681  -0.000947063550  0.000023884517
  25  Al  3.819598900966  5.926444691318  2.057462905317  0.534079503771  -0.386076225468  -0.728548341489  0.001067197718  0.002636678978  0.000861074060
  26  Al  5.708633089909  3.969035421126  1.849885166675  0.529797522110  -0.693930728750  0.643643880383  -0.000596408160  0.001397373434  -0.000126287922
  27  Al  5.718376892226  5.831971829377  0.102259680121  0.065346783850  -0.417228466136  -1.171252370737  -0.001774861890  -0.000402695733  -0.001267537137
  28  Al  3.884040940247  3.921127361611  3.962264724715  -0.141899517054  -0.212274868890  -0.317753250981  0.000386037982  0.001350052088  0.000984007137
  29  Al  3.763815100815  5.821520538934  5.990053720247  0.550325366184  -0.130124343022  -0.558040037844  0.000246381629  0.000487054603  0.003151027673
  30  Al  5.811960665620  3.745353953426  5.824113575800  -0.257698929461  1.102715367459  -0.479027099117  -0.000110612318  0.000593708102  -0.001041472244
  31  Al  5.887420791609  5.741268329757  3.839769710269  -0.661038446092  0.351006904973  0.154046111044  0.000476993361  0.000129716627  -0.001100514741


MDSTEP:  72
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.705325489283  0.000000000000  0.000000000000
  0.000000000000  7.707383029661  0.000000000000
  0.000000000000  0.000000000000  7.737539387731
VIRIAL (kbar)
  69.771185424410  0.004231886371  1.652409330025
  0.004231886371  68.256609810285  -1.063012266147
  1.652409330025  -1.063012266147  79.694015650532
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.593407305636  7.664423487373  7.647446085663  0.652670329639  -0.012468594932  0.098452356666  -0.000452879744  -0.001191195116  -0.003046048767
  1  Al  7.662015928133  1.846780224416  1.802283802140  0.235062677469  0.452354516703  0.345669288721  0.000183326709  -0.000583957696  -0.002837692244
  2  Al  1.846002236096  7.597102865992  1.885317648738  0.052933495931  1.053611667714  0.426417128585  -0.002076735486  0.000324768716  0.000400813390
  3  Al  1.837536879497  1.876645026381  7.686597855878  0.224017669778  -0.010330739358  0.205942161741  -0.002064303514  -0.001730337555  -0.001787656781
  4  Al  0.046661443684  7.613484664447  4.027332850599  0.038768965504  0.510983291252  -1.142767720560  0.002197031179  -0.001030614052  -0.000053224951
  5  Al  0.018590607467  1.916674715299  5.861232941087  -0.120825766826  -0.007362708169  -0.551421322704  0.000356691225  -0.000618385649  -0.000380019893
  6  Al  1.884948924231  0.004934257060  5.788200061950  0.368831965471  -0.097041848612  0.314733089293  -0.000435597598  0.000797146688  0.000859967528
  7  Al  1.905830568973  1.941578826279  3.951677287088  -0.085750990534  -0.152893077404  -0.447831402645  -0.001165142913  -0.000407557618  0.001263619156
  8  Al  7.649134639645  3.960618975453  7.586463301029  0.167978591823  -0.426074964511  0.873521734001  -0.001127723345  0.001357744946  -0.001122573593
  9  Al  0.039754281991  5.758189452181  1.933459242023  -0.248545032995  -0.051876819479  -0.029864180637  0.000485989328  -0.000935194026  0.000309005064
  10  Al  1.984396731385  3.756886473553  1.944843037945  -0.483827566802  0.435513400203  0.306037981258  -0.000375837864  0.000048417515  0.002099601124
  11  Al  1.940908385985  5.822173556238  0.156641875224  -0.051793762978  -0.263015663000  -0.775923648298  -0.000323459847  0.000438654973  0.002639628559
  12  Al  7.672371625636  3.892502872504  3.777215381759  0.542949911162  -0.473471753242  0.333024170579  0.001784186013  -0.000395499580  -0.001009766516
  13  Al  0.008304506654  5.731569772521  5.703560993123  -0.081183775777  0.060392494249  0.617485334385  -0.000086698971  -0.001297202131  -0.000466374076
  14  Al  1.891090318708  3.785599457518  5.833443551776  0.173083236997  0.323375017139  -0.377635173583  -0.000966292490  -0.001649043404  -0.000819530737
  15  Al  2.014525773168  5.782676213941  3.746127778640  -0.623624999760  -0.232115306493  0.925271289407  -0.000378238167  -0.001078098229  -0.000700229703
  16  Al  4.001503430919  0.153226900017  0.020195905088  -0.528189501107  -0.771018724382  0.061195765848  0.002837212640  0.002091122905  0.001580621052
  17  Al  3.713943880029  1.800940821915  1.913538715796  0.722620495953  0.554257818516  0.208492149447  -0.000688503704  -0.001708806577  -0.000053560419
  18  Al  5.865489309292  7.584081358908  1.799398697477  -0.316776066123  0.910817804742  0.841254951425  0.000420377095  -0.000715996973  -0.000727695357
  19  Al  5.805078073775  2.041776418579  7.566569550050  -0.052924152482  -0.844199891350  1.287774126817  -0.000304104812  -0.000329961254  -0.000657436725
  20  Al  3.884707678990  0.134153230762  3.882358358011  -0.238895102843  -0.723429968483  0.150448456392  -0.000149067489  0.000749493564  0.000597276816
  21  Al  3.890514009830  1.897863884725  5.855025509096  -0.249963214692  0.358398156961  -0.161449027293  0.000595164352  0.000715597925  0.001648137474
  22  Al  5.778843826458  0.039905522323  5.832919409074  -0.147109408069  -0.193989855968  -0.097717459266  -0.000446969056  0.001511161501  0.001009916910
  23  Al  5.882409022956  1.950168053961  3.851540004719  -0.353703496577  -0.055060327195  -0.003065064334  0.001259953810  0.000446942898  0.000376295033
  24  Al  3.895083130733  3.826208866753  0.131898658758  -0.220854212563  0.058187279645  -0.944268637293  0.001115986577  -0.000937907055  -0.000144750886
  25  Al  3.817769054906  5.924033936158  2.056890400266  0.533297113204  -0.390204698697  -0.735151897911  0.001163958163  0.002570404769  0.000731052291
  26  Al  5.704790261522  3.967217166017  1.848978086987  0.537468678053  -0.706000531359  0.648285816679  -0.000501653338  0.001273823332  -0.000010861736
  27  Al  5.713917824827  5.828098739048  0.101525148338  0.071018424041  -0.416727798119  -1.175845697272  -0.001764792809  -0.000477779411  -0.001478802261
  28  Al  3.881799931097  3.919336970943  3.960873473201  -0.143980491983  -0.219334129529  -0.317994185627  0.000360928230  0.001313064671  0.000928171257
  29  Al  3.761610324030  5.818111826119  5.988778941078  0.547341653740  -0.130418924014  -0.565488420100  0.000344866953  0.000464333119  0.003053828493
  30  Al  5.808261028876  3.743354145748  5.820823764125  -0.256786351052  1.106782634678  -0.480024718269  -0.000156767333  0.000792067779  -0.001128345324
  31  Al  5.883949850911  5.737752665365  3.837414772843  -0.663309315602  0.352362242495  0.162442754551  0.000359098532  0.000192791029  -0.001073357227


MDSTEP:  73
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.700707742643  0.000000000000  0.000000000000
  0.000000000000  7.702749962932  0.000000000000
  0.000000000000  0.000000000000  7.734110673954
VIRIAL (kbar)
  71.992264457098  0.016431796888  1.722637059017
  0.016431796888  70.451159400853  -0.973440668216
  1.722637059017  -0.973440668216  81.857658507914
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.588659289561  7.659219914287  7.642538221346  0.654611348085  -0.015009535559  0.110813283567  -0.000336480715  -0.001195078627  -0.003030493984
  1  Al  7.657526331036  1.845398235903  1.800081344943  0.231690743443  0.457154539917  0.353867119711  0.000225298218  -0.000503298206  -0.002778068367
  2  Al  1.843859631819  7.592745605051  1.884701735514  0.055942031489  1.060030879143  0.428719441936  -0.002069477690  0.000514229039  0.000477718103
  3  Al  1.835413211375  1.874651051054  7.682306827423  0.233441646515  -0.006239046005  0.218217039638  -0.002025849025  -0.001733890476  -0.001751573863
  4  Al  0.047734051517  7.608415417003  4.025470539767  0.030000256952  0.514741146333  -1.147895165572  0.002205807963  -0.000940093264  -0.000258170699
  5  Al  0.018752465160  1.915212949701  5.858420960833  -0.129247688600  -0.003121431403  -0.557536412900  0.000334747625  -0.000620063512  -0.000479606283
  6  Al  1.883617906520  0.005325645327  5.786079329149  0.377611099110  -0.107945542602  0.314564715464  -0.000369346571  0.000779763900  0.000917148692
  7  Al  1.904101843299  1.940201032183  3.950538173866  -0.082464512234  -0.152477027036  -0.456032612762  -0.001181582481  -0.000435361617  0.001184084406
  8  Al  7.643994046301  3.958898198617  7.582579118445  0.171403695259  -0.431143839611  0.881760905965  -0.001098712096  0.001282688971  -0.000966736441
  9  Al  0.039962417251  5.754258032902  1.932755687172  -0.254340326333  -0.048877175631  -0.033476440732  0.000441585460  -0.000945325925  0.000303660390
  10  Al  1.982997901830  3.754671809024  1.945045011831  -0.482226646816  0.431102219236  0.299546309559  -0.000462703314  0.000125996825  0.002155948512
  11  Al  1.939581121379  5.818881366703  0.157857990292  -0.046430080351  -0.265572408743  -0.789321114780  -0.000332632750  0.000391896124  0.002502364911
  12  Al  7.668690246263  3.889944043122  3.775051445813  0.538122112832  -0.476746841200  0.336124922317  0.001883022940  -0.000480972782  -0.000950962446
  13  Al  0.008252539766  5.727478314385  5.700827929906  -0.082342129404  0.065900437859  0.618363426682  -0.000101430435  -0.001287457218  -0.000356316739
  14  Al  1.889481447598  3.782513541449  5.830431832040  0.178999925469  0.334401037967  -0.378531619335  -0.000935952221  -0.001592176780  -0.000888017825
  15  Al  2.013101439966  5.778650547837  3.744158899831  -0.623129090717  -0.229301599878  0.934609493339  -0.000490215908  -0.001120663523  -0.000534598088
  16  Al  4.000500779940  0.154146207795  0.020980233946  -0.543392953279  -0.785611348513  0.054104096411  0.002744746572  0.001954380130  0.001592575556
  17  Al  3.711406077846  1.799028351925  1.912673304197  0.722472530732  0.563648820755  0.212620849473  -0.000560058589  -0.001610851410  -0.000015949194
  18  Al  5.862170258306  7.579205008373  1.798274975637  -0.308173395209  0.918001614018  0.845490944064  0.000364975839  -0.000553260423  -0.000577578475
  19  Al  5.801444669676  2.040346311382  7.562945332717  -0.042241300962  -0.843122144687  1.297435020926  -0.000312981007  -0.000481292141  -0.000426883000
  20  Al  3.882294370339  0.134415118353  3.880943429519  -0.240852350253  -0.728791646191  0.155307263531  -0.000192160416  0.000620484904  0.000625245665
  21  Al  3.888468952457  1.897096959483  5.853248084760  -0.258275791747  0.358243377312  -0.170758583816  0.000550412035  0.000780560021  0.001620134367
  22  Al  5.775150482402  0.040628669001  5.830835424392  -0.146137186857  -0.205612469079  -0.106653388582  -0.000473734892  0.001477224288  0.000992685520
  23  Al  5.879498094006  1.949216844623  3.850021348750  -0.352366472204  -0.055945431810  -0.007924133345  0.001198299276  0.000437547958  0.000375702858
  24  Al  3.893297123732  3.823442362240  0.131725614997  -0.232883103187  0.061536974924  -0.945441587346  0.001076731912  -0.000928319760  -0.000313928095
  25  Al  3.816087074731  5.921741021609  2.056311716388  0.529517608854  -0.393143177612  -0.740473303627  0.001260420827  0.002503407967  0.000599822783
  26  Al  5.701144538266  3.965437940892  1.848182293850  0.545546073381  -0.714931437236  0.652780000313  -0.000405373919  0.001148241093  0.000105502029
  27  Al  5.709614031752  5.824337766748  0.100687992563  0.078367102372  -0.413977287062  -1.177983147575  -0.001753538543  -0.000552660235  -0.001690878342
  28  Al  3.879647679410  3.917627901313  3.959568313921  -0.147947277921  -0.224103308027  -0.318513574847  0.000335245703  0.001274969212  0.000872202089
  29  Al  3.759552960703  5.814840846274  5.987627243153  0.541648294811  -0.129214626014  -0.573454865037  0.000442692356  0.000441663788  0.002955125905
  30  Al  5.804690297866  3.741549546942  5.817658608009  -0.253908181544  1.111157744417  -0.480752724583  -0.000202637768  0.000991417075  -0.001215454691
  31  Al  5.880573603076  5.734415753675  3.835184732951  -0.663015981685  0.354968532018  0.170423841942  0.000240883939  0.000256294604  -0.001044698295


MDSTEP:  74
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.696295997727  0.000000000000  0.000000000000
  0.000000000000  7.698319030280  0.000000000000
  0.000000000000  0.000000000000  7.730909371773
VIRIAL (kbar)
  74.105915918066  0.029048192793  1.791357150451
  0.029048192793  72.544468103124  -0.881593995975
  1.791357150451  -0.881593995975  83.897338975087
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.584172698143  7.654215629461  7.637864065654  0.653597091485  -0.014589668413  0.122668588023  -0.000219858237  -0.001199150840  -0.003012732616
  1  Al  7.653262361820  1.844105391216  1.797962611815  0.226070802995  0.463960166983  0.360092298642  0.000266514236  -0.000421501834  -0.002717070316
  2  Al  1.841770727589  7.588682513707  1.884179711585  0.062825052445  1.067342267127  0.428840476928  -0.002061315534  0.000705141444  0.000554915271
  3  Al  1.833358898996  1.872705187471  7.678260665860  0.246388960895  0.000047853490  0.229407409122  -0.001985336866  -0.001736511018  -0.001713340619
  4  Al  0.048811285834  7.603591561420  4.023623892847  0.019270749616  0.520445336240  -1.150855407718  0.002212839446  -0.000848613494  -0.000464049774
  5  Al  0.018903371076  1.913800976050  5.855731251067  -0.139949858977  0.003266030551  -0.561253324722  0.000311065402  -0.000620789666  -0.000580171248
  6  Al  1.882370924105  0.005707759007  5.784157128200  0.389385533831  -0.115802090243  0.315677343396  -0.000301176041  0.000760678494  0.000974466064
  7  Al  1.902416324384  1.938860389291  3.949474810194  -0.075549691418  -0.150108912548  -0.462812631244  -0.001197122902  -0.000462947706  0.001103117820
  8  Al  7.639072928503  3.957243154396  7.578996428676  0.172465499912  -0.439066038990  0.888569216126  -0.001069259116  0.001206375179  -0.000809384352
  9  Al  0.040149017187  5.750472960060  1.932106061625  -0.261935779527  -0.047931115372  -0.038565325735  0.000395928492  -0.000955112485  0.000297529458
  10  Al  1.981608868449  3.752594252477  1.945331609132  -0.476490160332  0.423996861715  0.290818422255  -0.000549013546  0.000202638008  0.002210975463
  11  Al  1.938301491025  5.815718251588  0.159008938991  -0.037578527940  -0.269597889730  -0.802713224290  -0.000340543250  0.000344490771  0.002362542868
  12  Al  7.665262690011  3.887444526243  3.773028272172  0.530485536233  -0.482094417426  0.339761299157  0.001980852835  -0.000567317108  -0.000891487266
  13  Al  0.008193401570  5.723542657502  5.698317666036  -0.085153212403  0.069274066367  0.620287286617  -0.000116534007  -0.001276900075  -0.000245892057
  14  Al  1.887938841357  3.779556298946  5.827557439229  0.187849502780  0.342394238710  -0.377207702023  -0.000904249975  -0.001533533359  -0.000956530354
  15  Al  2.011675103251  5.774755685292  3.742383505455  -0.618334680973  -0.228041226715  0.943117231009  -0.000601851345  -0.001162909898  -0.000367194584
  16  Al  3.999557397769  0.154999918544  0.021770498555  -0.556695249369  -0.796161633758  0.046269557316  0.002649605915  0.001815215658  0.001603194489
  17  Al  3.709031978998  1.797212994334  1.911883135765  0.724579436177  0.574822051273  0.214496024750  -0.000431282156  -0.001510932078  0.000022238085
  18  Al  5.858980586094  7.574609451661  1.797279541810  -0.303313502688  0.926209422377  0.846793816596  0.000310710873  -0.000388950061  -0.000426806220
  19  Al  5.797962589009  2.038894225905  7.559659355504  -0.035459569888  -0.839076702030  1.304334454333  -0.000320303885  -0.000632343203  -0.000194606090
  20  Al  3.879963326668  0.134615567139  3.879656688861  -0.240456524248  -0.730738335777  0.160482197344  -0.000235443385  0.000490665464  0.000654135873
  21  Al  3.886504992307  1.896412080619  5.851627992157  -0.263939122127  0.359539962051  -0.177705857769  0.000504353286  0.000845698138  0.001590635115
  22  Al  5.771598421455  0.041334947166  5.828913653546  -0.148602962653  -0.213437779021  -0.113795670065  -0.000500663751  0.001441499861  0.000973990168
  23  Al  5.876713308694  1.948311917155  3.848615302997  -0.354640931333  -0.055108239664  -0.011625292692  0.001136481078  0.000428135436  0.000374341364
  24  Al  3.891594772493  3.820781412227  0.131471827040  -0.242409998310  0.061712593352  -0.946289563052  0.001035496562  -0.000918401259  -0.000483458536
  25  Al  3.814554898987  5.919569114890  2.055727478972  0.527110775484  -0.397416223053  -0.746568910559  0.001356438489  0.002435674176  0.000467431484
  26  Al  5.697699975469  3.963699208736  1.847499234558  0.549534594279  -0.725714307438  0.654426272735  -0.000307898249  0.001020739964  0.000222534549
  27  Al  5.705469451975  5.820692458832  0.099747974070  0.082630897051  -0.412627319355  -1.178719842700  -0.001741222872  -0.000627261072  -0.001903417233
  28  Al  3.877586087209  3.916001988350  3.958351369522  -0.149739100807  -0.231556689200  -0.318313445966  0.000309015669  0.001235728862  0.000816139429
  29  Al  3.757644726480  5.811711040248  5.986601231185  0.537654692176  -0.129739487590  -0.579697704928  0.000539765541  0.000419026064  0.002855026408
  30  Al  5.801252087510  3.739942770534  5.814621165587  -0.253984831038  1.110733518714  -0.478314738302  -0.000248311223  0.001191353177  -0.001302491406
  31  Al  5.877295465886  5.731261135114  3.833082381472  -0.665615421328  0.355063707373  0.178396747416  0.000122320849  0.000320114461  -0.001014574271


MDSTEP:  75
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.692094422664  0.000000000000  0.000000000000
  0.000000000000  7.694094353583  0.000000000000
  0.000000000000  0.000000000000  7.727939377096
VIRIAL (kbar)
  76.107378553713  0.041816708848  1.860915990334
  0.041816708848  74.519881473858  -0.784562848627
  1.860915990334  -0.784562848627  85.818779937327
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.579951577365  7.649414739032  7.633428456455  0.655791794619  -0.017821091179  0.135227700011  -0.000102990502  -0.001203473138  -0.002992743645
  1  Al  7.649227681482  1.842903300377  1.795929014590  0.224037305102  0.468091052538  0.368538686077  0.000307093019  -0.000338627677  -0.002654674261
  2  Al  1.839737089179  7.584918382037  1.883752574127  0.066205334411  1.069045689369  0.430915270688  -0.002052213783  0.000897083629  0.000632383340
  3  Al  1.831376057119  1.870808958387  7.674464208901  0.255764678269  0.004743173621  0.240810006445  -0.001942768384  -0.001738143224  -0.001673032738
  4  Al  0.049892269016  7.599017685760  4.021794600308  0.011843741904  0.521908270655  -1.153521510910  0.002218242429  -0.000756379374  -0.000670639410
  5  Al  0.019042379138  1.912440375131  5.853166386048  -0.146998422130  0.007465508169  -0.566736958063  0.000285765442  -0.000620566414  -0.000681657415
  6  Al  1.881210062015  0.006079911186  5.782436515025  0.396590406805  -0.126894380632  0.313830479565  -0.000231225136  0.000739871396  0.001031768287
  7  Al  1.900775627397  1.937558128272  3.948488584247  -0.072197851069  -0.149523095568  -0.469872934956  -0.001211756518  -0.000490299951  0.001020820819
  8  Al  7.634375501388  3.955655259389  7.575719685720  0.177624800474  -0.443137134843  0.895070396721  -0.001039208552  0.001128891493  -0.000650673445
  9  Al  0.040313420497  5.746837371619  1.931510889823  -0.265483489453  -0.044383150621  -0.041206030286  0.000349218284  -0.000964503696  0.000290698329
  10  Al  1.980231178555  3.750655205437  1.945703102121  -0.473806041950  0.420548991544  0.283844130514  -0.000634669813  0.000278425273  0.002264635589
  11  Al  1.937071325473  5.812686959042  0.160093622710  -0.032575901178  -0.271310836519  -0.813301946639  -0.000347221894  0.000296513919  0.002220412282
  12  Al  7.662092501966  3.885005886205  3.771148082302  0.526042544881  -0.482943726229  0.342705745690  0.002077706915  -0.000654315494  -0.000831354851
  13  Al  0.008126837930  5.719766140832  5.696033271499  -0.084461446298  0.075568213603  0.618765391043  -0.000131844412  -0.001265458902  -0.000135316020
  14  Al  1.886464301290  3.776730449241  5.824823383991  0.192882395120  0.353117911095  -0.377744926912  -0.000871263096  -0.001473137913  -0.001025034685
  15  Al  2.010248233635  5.770994790831  3.740804282176  -0.616925963648  -0.224399681027  0.949200546742  -0.000713060927  -0.001204761958  -0.000198311077
  16  Al  3.998674296644  0.155787173931  0.022566053198  -0.573001294385  -0.809963672595  0.039518048764  0.002551688604  0.001673697816  0.001612506029
  17  Al  3.706823808336  1.795496704030  1.911169353453  0.721831154274  0.583457957804  0.218511297290  -0.000302407795  -0.001409114041  0.000060991233
  18  Al  5.855923891599  7.570299517612  1.796413451918  -0.293919397115  0.929453793685  0.849214060557  0.000257654780  -0.000223417818  -0.000275542606
  19  Al  5.794635568244  2.037421555747  7.556716108499  -0.024654228921  -0.835686848083  1.309721555705  -0.000326060409  -0.000782905511  0.000039009794
  20  Al  3.877716666200  0.134754448366  3.878500578870  -0.243636538636  -0.736008168136  0.164492501476  -0.000279025421  0.000360043525  0.000683871737
  21  Al  3.884623726385  1.895810418791  5.850167590615  -0.273218940853  0.358615045162  -0.186781469817  0.000456900280  0.000910942559  0.001559658892
  22  Al  5.768190528959  0.042023703001  5.827156414568  -0.146463210880  -0.224766548517  -0.123315685695  -0.000527650859  0.001404012038  0.000953776985
  23  Al  5.874057655333  1.947454396951  3.847323485118  -0.352582242588  -0.056260773300  -0.015794194790  0.001074563692  0.000418681275  0.000372271350
  24  Al  3.889977345544  3.818228059305  0.131137223028  -0.255741650263  0.065466108951  -0.944837056500  0.000992161580  -0.000908114696  -0.000653104753
  25  Al  3.813174439333  5.917521041224  2.055138151767  0.519403443842  -0.400036120091  -0.749690535975  0.001451657578  0.002367230518  0.000334075921
  26  Al  5.694460036909  3.962002114301  1.846930027510  0.556109155009  -0.731587774537  0.657643867974  -0.000209360239  0.000891591909  0.000340120318
  27  Al  5.701487518505  5.817166015562  0.098704966322  0.090756104140  -0.408360348552  -1.176266454126  -0.001727774367  -0.000701444911  -0.002116004478
  28  Al  3.875617093962  3.914460680158  3.957224656760  -0.155439471585  -0.235111719533  -0.319039176914  0.000282082539  0.001195450659  0.000759965286
  29  Al  3.755887341067  5.808725476098  5.985703406651  0.529145401633  -0.128402454180  -0.587932995665  0.000635832416  0.000396431879  0.002753504910
  30  Al  5.797949513303  3.738535868538  5.811714526358  -0.249857314020  1.111884537202  -0.477283635034  -0.000293675096  0.001391585868  -0.001389296061
  31  Al  5.874118357795  5.728291913352  3.831110346036  -0.663064855509  0.357231270745  0.185315827019  0.000003611980  0.000384210960  -0.000983078689


MDSTEP:  76
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.688106871356  0.000000000000  0.000000000000
  0.000000000000  7.690079731427  0.000000000000
  0.000000000000  0.000000000000  7.725204279591
VIRIAL (kbar)
  77.989781038675  0.054823643061  1.929672211701
  0.054823643061  76.383375382732  -0.686145424371
  1.929672211701  -0.686145424371  87.609881937129
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.575999954460  7.644820700375  7.629235991755  0.654008067451  -0.018035663380  0.147674076173  0.000014052630  -0.001208101954  -0.002970470972
  1  Al  7.645425960555  1.841793259791  1.793982093680  0.218737400727  0.473500683529  0.375681180314  0.000347061818  -0.000254800058  -0.002590796648
  2  Al  1.837759893438  7.581457187432  1.883421423523  0.070911989089  1.071383959018  0.431197370517  -0.002042365128  0.001089609484  0.000710135384
  3  Al  1.829466407308  1.868963664882  7.670922010237  0.265852644134  0.010937923956  0.251481603707  -0.001898396488  -0.001738793325  -0.001630694469
  4  Al  0.050976417662  7.594697682542  4.019984211594  0.000923449123  0.525344767328  -1.154310825177  0.002221996790  -0.000663593488  -0.000877742306
  5  Al  0.019168867940  1.911132451696  5.850728545875  -0.157477200561  0.013206609996  -0.570490583828  0.000258865972  -0.000619450158  -0.000784066965
  6  Al  1.880136922702  0.006441124635  5.780920054436  0.404079978503  -0.134476307394  0.312781542864  -0.000159875747  0.000717365001  0.001088860573
  7  Al  1.899180970383  1.936295237896  3.947580699908  -0.067643459883  -0.147341786498  -0.475833346466  -0.001225692647  -0.000517434262  0.000937266327
  8  Al  7.629906035128  3.954136105947  7.572753021607  0.179295637565  -0.450130896509  0.900392151929  -0.001008505071  0.001050319871  -0.000490737748
  9  Al  0.040455324388  5.743354395915  1.930970838240  -0.271840497034  -0.042159688125  -0.044652777097  0.000301564752  -0.000973384267  0.000283313160
  10  Al  1.978866022568  3.748856241303  1.946159845500  -0.469381719971  0.414525315502  0.275386064126  -0.000719787407  0.000353453425  0.002316949720
  11  Al  1.935892031982  5.809790198082  0.161111182590  -0.026599310246  -0.273638063325  -0.822776833858  -0.000352924149  0.000248117178  0.002076322658
  12  Al  7.659183203981  3.882629922706  3.769412888249  0.517451812193  -0.485772430987  0.346024337388  0.002173496539  -0.000741742158  -0.000770593628
  13  Al  0.008052906863  5.716152123998  5.693977286425  -0.087285612268  0.080422669010  0.617381563551  -0.000147362822  -0.001252999712  -0.000024886174
  14  Al  1.885059211424  3.774038798693  5.822232276757  0.198260953388  0.360319495570  -0.376911853546  -0.000837300522  -0.001411059122  -0.001093573087
  15  Al  2.008821912820  5.767370997350  3.739423558028  -0.613605327426  -0.221902430891  0.953552261145  -0.000823974336  -0.001246107580  -0.000028320617
  16  Al  3.997852054248  0.156506813838  0.023366348921  -0.586006293608  -0.820034740925  0.032471783372  0.002451017869  0.001529867399  0.001620578489
  17  Al  3.704783209509  1.793881136826  1.910533217384  0.722009840717  0.593173424793  0.221110250820  -0.000173609238  -0.001305525867  0.000100374872
  18  Al  5.853003938593  7.566279279117  1.795677795973  -0.285737503789  0.933704713073  0.849179567053  0.000206106648  -0.000057017859  -0.000123909240
  19  Al  5.791467466917  2.035929544847  7.554119655878  -0.014912653537  -0.830093518177  1.312537708997  -0.000329983736  -0.000932838046  0.000273596750
  20  Al  3.875556027324  0.134831326053  3.877477286258  -0.243215984450  -0.737891693233  0.168356844677  -0.000322904021  0.000228625009  0.000714336088
  21  Al  3.882826267922  1.895292869186  5.848868816687  -0.278702360603  0.358514553468  -0.194450167714  0.000408067798  0.000976167312  0.001527139521
  22  Al  5.764929865096  0.042693966738  5.825565581366  -0.145039804504  -0.232597498621  -0.131630991537  -0.000554347818  0.001364757960  0.000931939435
  23  Al  5.871534268138  1.946645149607  3.846147318419  -0.351648193771  -0.055993243406  -0.019013014129  0.001012834220  0.000409134373  0.000369535108
  24  Al  3.888445610840  3.815784505414  0.130721925121  -0.265424490101  0.066262276560  -0.942673038343  0.000946710564  -0.000897403805  -0.000822594250
  25  Al  3.811946981684  5.915599523826  2.054544378100  0.513823239321  -0.403393030052  -0.752943693366  0.001545791471  0.002298157716  0.000200011504
  26  Al  5.691428188500  3.960348070394  1.846475862935  0.561303956437  -0.739261398871  0.659026540978  -0.000109651782  0.000761074063  0.000458234148
  27  Al  5.697671776422  5.813761650730  0.097559115294  0.098528869789  -0.404583595996  -1.172137798402  -0.001712877128  -0.000774993053  -0.002328200363
  28  Al  3.873742130428  3.913005607894  3.956189951195  -0.157676678801  -0.241433205974  -0.319462240293  0.000254405818  0.001154234488  0.000703624444
  29  Al  3.754281970414  5.805887143736  5.984935853185  0.523877889212  -0.128204320677  -0.595081283325  0.000730776404  0.000373946012  0.002650479529
  30  Al  5.794785828095  3.737330884428  5.808941419946  -0.246014040355  1.108364529140  -0.474085281265  -0.000338377702  0.001591835780  -0.001475798308
  31  Al  5.871045413587  5.725511139124  3.829271009228  -0.660854596739  0.357282592098  0.192218880733  -0.000114811213  0.000448579640  -0.000950305958


MDSTEP:  77
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.684336873777  0.000000000000  0.000000000000
  0.000000000000  7.686278662514  0.000000000000
  0.000000000000  0.000000000000  7.722707339503
VIRIAL (kbar)
  79.754738322872  0.067777595110  1.997894238504
  0.067777595110  78.124034837068  -0.583718290007
  1.997894238504  -0.583718290007  89.268688908245
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.572321185907  7.640436941564  7.625290934192  0.652520959009  -0.019876708394  0.160312114462  0.000130940530  -0.001212912653  -0.002945904354
  1  Al  7.641860256809  1.840776611410  1.792123197906  0.214477947311  0.477416193041  0.383073916927  0.000386220125  -0.000170037969  -0.002525530265
  2  Al  1.835840357848  7.578302675770  1.883187122817  0.076158378218  1.070229886598  0.431569286101  -0.002031600912  0.001282461338  0.000788017665
  3  Al  1.827631658805  1.867170668570  7.667638232443  0.276307432379  0.016393282948  0.261762251169  -0.001852122185  -0.001738391346  -0.001586424175
  4  Al  0.052062834734  7.590635327575  4.018194264462  -0.008893606540  0.526378616633  -1.153796139634  0.002223885685  -0.000570294331  -0.001085070352
  5  Al  0.019281907329  1.909878573775  5.848419811464  -0.166908474667  0.018072516631  -0.574184653517  0.000230152190  -0.000617379948  -0.000887238578
  6  Al  1.879153057676  0.006790734781  5.779610138596  0.411239556989  -0.143435489497  0.310482680099  -0.000087131108  0.000693348036  0.001145700778
  7  Al  1.897633597951  1.935072772924  3.946752288126  -0.062616581550  -0.146151074126  -0.481131726504  -0.001238779870  -0.000544295711  0.000852611776
  8  Al  7.625668167280  3.952686868454  7.570100145904  0.181813237981  -0.455262798068  0.904618024797  -0.000977384119  0.000970564554  -0.000329782218
  9  Al  0.040574171434  5.740026818244  1.930486418656  -0.276909045398  -0.038441367151  -0.047453338192  0.000252831204  -0.000981737793  0.000275359105
  10  Al  1.977514659932  3.747198559543  1.946701980948  -0.463778632182  0.409965962495  0.266819516608  -0.000804103164  0.000427621105  0.002367772134
  11  Al  1.934765023229  5.807030394583  0.162060847717  -0.020424704253  -0.274486087860  -0.830834114929  -0.000357543790  0.000199377865  0.001930500151
  12  Al  7.656537628545  3.880318103548  3.767824576771  0.509158099976  -0.486045362402  0.349546598347  0.002267873749  -0.000829544682  -0.000709152049
  13  Al  0.007971351047  5.712703615096  5.692152024401  -0.088985835268  0.086622041270  0.614464495442  -0.000163303184  -0.001239529333  0.000085270554
  14  Al  1.883724908298  3.771483693526  5.819786599171  0.203513944409  0.368554220262  -0.376174375621  -0.000802341447  -0.001347517697  -0.001162029870
  15  Al  2.007397304598  5.763887108620  3.738243353229  -0.609369661535  -0.217800720569  0.956450360339  -0.000934336548  -0.001286903931  0.000142489955
  16  Al  3.997091371901  0.157158000727  0.024170810137  -0.600038307263  -0.831171522158  0.025486362376  0.002347793991  0.001383961040  0.001627388850
  17  Al  3.702911936089  1.792367978519  1.909975781254  0.720183794327  0.601575580162  0.223907214719  -0.000044805629  -0.001200186964  0.000140279913
  18  Al  5.850224134649  7.562552609961  1.795073373475  -0.277181848793  0.934591263012  0.848290727935  0.000155993808  0.000110038020  0.000027795583
  19  Al  5.788461805696  2.034419549284  7.551873518732  -0.005210209506  -0.823961018269  1.313080761009  -0.000332170157  -0.001081892543  0.000508718124
  20  Al  3.873483205241  0.134846057045  3.876588821012  -0.244027728775  -0.741149365433  0.171983261491  -0.000366866979  0.000096590388  0.000745494468
  21  Al  3.881113904047  1.894860329539  5.847733482400  -0.285146955642  0.356944869464  -0.202330522717  0.000358108257  0.001041313478  0.001493182280
  22  Al  5.761819181976  0.043345078472  5.824142886308  -0.143308559032  -0.241742553200  -0.140432395451  -0.000580790226  0.001323930690  0.000908540142
  23  Al  5.869145931847  1.945885091615  3.845088147015  -0.350512488416  -0.056674728474  -0.021782057704  0.000951210620  0.000399536673  0.000366257066
  24  Al  3.887000496981  3.813452539339  0.130226107053  -0.276003981522  0.068571737153  -0.938979738685  0.000899387330  -0.000886396960  -0.000991723023
  25  Al  3.810873845264  5.913806987970  2.053946696981  0.505917102419  -0.405843936236  -0.754816537642  0.001638819176  0.002228469859  0.000065351552
  26  Al  5.688607536767  3.958738169937  1.846137692923  0.565288116426  -0.743947338002  0.659763544007  -0.000009004428  0.000629292192  0.000576652365
  27  Al  5.694025499283  5.810482304849  0.096310703901  0.106462021769  -0.399229680850  -1.165637793675  -0.001696546000  -0.000847806297  -0.002539637708
  28  Al  3.871962772703  3.911638001703  3.955248885004  -0.161159904313  -0.245767862611  -0.319935168412  0.000226183190  0.001112009437  0.000647140063
  29  Al  3.752829915439  5.803198704306  5.984300493525  0.516801784539  -0.126911527406  -0.602691188947  0.000824722831  0.000351564719  0.002546005405
  30  Al  5.791764013643  3.736329306089  5.806304518268  -0.241664425053  1.104486015814  -0.470170592400  -0.000382397668  0.001791649951  -0.001561737722
  31  Al  5.868079486172  5.722921453238  3.827566590014  -0.657701426044  0.358096955225  0.198739228202  -0.000232892933  0.000513098815  -0.000916290633


MDSTEP:  78
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.680787647815  0.000000000000  0.000000000000
  0.000000000000  7.682694325346  0.000000000000
  0.000000000000  0.000000000000  7.720451490511
VIRIAL (kbar)
  81.396686781085  0.081390435553  2.064103213132
  0.081390435553  79.746765758991  -0.479613112689
  2.064103213132  -0.479613112689  90.789016310911
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.568918351278  7.636266426187  7.621597241438  0.649485479518  -0.019672238885  0.172299491588  0.000247559388  -0.001217867333  -0.002919081754
  1  Al  7.638533411967  1.839854490087  1.790353624402  0.209283021905  0.482810127906  0.388975021794  0.000424575665  -0.000084342704  -0.002458984912
  2  Al  1.833979673298  7.575457972419  1.883050466655  0.083073051321  1.069090900912  0.430164558647  -0.002019721731  0.001475325496  0.000865877626
  3  Al  1.825873480774  1.865431186718  7.664616680440  0.288103336622  0.023732885211  0.270841764415  -0.001803790218  -0.001736832828  -0.001540362483
  4  Al  0.053150720224  7.586833868797  4.016426235263  -0.019444631973  0.528551775206  -1.151074550073  0.002223938875  -0.000476595213  -0.001292305351
  5  Al  0.019380658538  1.908679951681  5.846242017372  -0.177219001229  0.024644649512  -0.575986698316  0.000199637304  -0.000614280064  -0.000990996126
  6  Al  1.878259915572  0.007127952646  5.778508805998  0.419236132614  -0.150251949196  0.308907582062  -0.000012945184  0.000667887174  0.001202240022
  7  Al  1.896134719112  1.933891617841  3.946004369082  -0.056094561397  -0.143300745469  -0.484919309857  -0.001250840417  -0.000570823539  0.000767051650
  8  Al  7.621665302167  3.951308720378  7.567764356115  0.183506300658  -0.462437098275  0.907234451342  -0.000945843175  0.000889608548  -0.000168050718
  9  Al  0.040669515816  5.736857317838  1.930058118635  -0.282461859675  -0.036165247209  -0.051258686224  0.000203088856  -0.000989558377  0.000266803551
  10  Al  1.976178372083  3.745683336936  1.947329560519  -0.456181765851  0.403444508240  0.256549971481  -0.000887330823  0.000500881640  0.002416937335
  11  Al  1.933691651032  5.804409863038  0.162941962036  -0.012867073646  -0.276313058243  -0.838801034559  -0.000360937889  0.000150340846  0.001783079842
  12  Al  7.654158327669  3.878071959812  3.766384895649  0.499502918508  -0.487635953599  0.353726949585  0.002360739305  -0.000917611260  -0.000646953212
  13  Al  0.007882012546  5.709423504683  5.690559425195  -0.091016662862  0.091260919113  0.612056852602  -0.000179594731  -0.001225065446  0.000195060191
  14  Al  1.882462641884  3.769067417261  5.817488575270  0.209649347509  0.374509326328  -0.373746823803  -0.000766317097  -0.001282623583  -0.001230260542
  15  Al  2.005975568909  5.760545829889  3.737265406494  -0.603041566714  -0.214861428722  0.958708496556  -0.001043875944  -0.001327109707  0.000313930904
  16  Al  3.996392693446  0.157739790153  0.024978866221  -0.613204731435  -0.839169115795  0.017778934776  0.002241999830  0.001236162956  0.001632875886
  17  Al  3.701211416533  1.790958726489  1.909498037371  0.718899265639  0.611301334774  0.224936314230  0.000083870414  -0.001093095114  0.000180565649
  18  Al  5.847587681934  7.559122774179  1.794600837187  -0.269950012984  0.935755942319  0.844835453458  0.000107233564  0.000277472369  0.000179263078
  19  Al  5.785621866983  2.032892883177  7.549980704522  0.002812489716  -0.815306063538  1.310825483067  -0.000332771206  -0.001229791721  0.000743916170
  20  Al  3.871499725932  0.134798364982  3.875837009593  -0.243955138965  -0.741810523978  0.176096956017  -0.000410944743  -0.000035950104  0.000777368969
  21  Al  3.879487676401  1.894513490022  5.846763132534  -0.290325786023  0.356480802401  -0.208392410756  0.000307048093  0.001106347132  0.001457929453
  22  Al  5.758861024110  0.043976257706  5.822889771067  -0.142688553058  -0.248030248152  -0.147867782603  -0.000607049012  0.001281666317  0.000883656300
  23  Al  5.866895209183  1.945174973400  3.844147192499  -0.350588741266  -0.055974062228  -0.023390594493  0.000889603029  0.000389926793  0.000362580613
  24  Al  3.885642692715  3.811233926354  0.129650067313  -0.285539592585  0.068583590820  -0.934945263993  0.000850203075  -0.000875163691  -0.001160319780
  25  Al  3.809955990263  5.912145691980  2.053345678911  0.497819716146  -0.409371232265  -0.757058456961  0.001730512181  0.002158150809  -0.000069811558
  26  Al  5.686000852791  3.957173603342  1.845916338422  0.567187424598  -0.749738775229  0.658156231427  0.000092286767  0.000496414537  0.000695105348
  27  Al  5.690551743966  5.807330814678  0.094960214446  0.113375212171  -0.394688322063  -1.157734216039  -0.001678855610  -0.000919814069  -0.002749973014
  28  Al  3.870280327181  3.910359105124  3.954402916837  -0.163999931048  -0.252027728850  -0.319600016584  0.000197360369  0.001068779839  0.000590580613
  29  Al  3.751532166322  5.800662674476  5.983798952921  0.509693120349  -0.126916359311  -0.608981489017  0.000917504162  0.000329270082  0.002440158721
  30  Al  5.788886860246  3.735532441342  5.803806308137  -0.238045695639  1.096546585879  -0.463722560637  -0.000425753497  0.001990629186  -0.001646820780
  31  Al  5.865223270299  5.720525328836  3.825999112525  -0.655001510925  0.356956802386  0.205385380870  -0.000350587257  0.000577661029  -0.000881054700


MDSTEP:  79
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.677462092394  0.000000000000  0.000000000000
  0.000000000000  7.679329598283  0.000000000000
  0.000000000000  0.000000000000  7.718439331293
VIRIAL (kbar)
  82.910979246647  0.093695158794  2.130307789894
  0.093695158794  81.237812849363  -0.371856452033
  2.130307789894  -0.371856452033  92.176072231236
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.565794081524  7.632312001663  7.618158482942  0.647540966435  -0.021697336954  0.185538247621  0.000363866155  -0.001222981982  -0.002889946497
  1  Al  7.635447868173  1.839028094243  1.788674461218  0.205749785506  0.486246022312  0.396154957408  0.000462191702  0.000002242808  -0.002391178632
  2  Al  1.832179103620  7.572925915490  1.883012012302  0.087967238214  1.063545925728  0.429766063776  -0.002006757003  0.001667805898  0.000943644428
  3  Al  1.824193588095  1.863746531904  7.661860720901  0.297484342761  0.029950064188  0.280681031337  -0.001753494091  -0.001734047473  -0.001492547353
  4  Al  0.054239206606  7.583296362825  4.014681615341  -0.028497014127  0.527649897990  -1.148289027909  0.002222221566  -0.000382669860  -0.001499239450
  5  Al  0.019464201807  1.907537873896  5.844196909280  -0.185795466376  0.029685779190  -0.578534312074  0.000167396031  -0.000610133380  -0.001095235175
  6  Al  1.877458944938  0.007452179438  5.777617911517  0.424020792489  -0.158955126829  0.305213884127  0.000062470186  0.000641003657  0.001258351619
  7  Al  1.894685597203  1.932752728905  3.945337923655  -0.051705231735  -0.141743347416  -0.489394795920  -0.001261929352  -0.000596983928  0.000680660021
  8  Al  7.617900454751  3.950002495364  7.565748483597  0.187076295301  -0.467044634443  0.910046378579  -0.000913787624  0.000807498030  -0.000005672078
  9  Al  0.040740864731  5.733848220383  1.929686251753  -0.285944749891  -0.032098169946  -0.053453323736  0.000152479002  -0.000996813627  0.000257700153
  10  Al  1.974858533695  3.744311430985  1.948042401661  -0.450323214211  0.399281237067  0.247145387850  -0.000969444630  0.000573268174  0.002464366725
  11  Al  1.932673310682  5.801930601904  0.163753865245  -0.007892552329  -0.276277990739  -0.843634115042  -0.000363212148  0.000101085357  0.001634350693
  12  Al  7.652047417525  3.875892749737  3.765095490351  0.490839667650  -0.485876121674  0.356661677888  0.002452055915  -0.001005758743  -0.000584049877
  13  Al  0.007784702779  5.706314321100  5.689201231162  -0.091448122058  0.097925143594  0.606994473703  -0.000196124055  -0.001209564926  0.000304288232
  14  Al  1.881273664176  3.766791904574  5.815340324883  0.213074317457  0.381984502925  -0.372338060508  -0.000729389912  -0.001216443412  -0.001298202966
  15  Al  2.004557965431  5.757349535695  3.736491243749  -0.598552929890  -0.210031243144  0.957955508653  -0.001152566843  -0.001366657883  0.000485672764
  16  Al  3.995756370488  0.158251506851  0.025789881283  -0.627517282162  -0.848892713631  0.011632503157  0.002133607778  0.001086598764  0.001637112525
  17  Al  3.699682978537  1.789654930361  1.909100738804  0.714931691480  0.618936920863  0.227215481353  0.000212225265  -0.000984317770  0.000221185270
  18  Al  5.845097420193  7.555992771455  1.794260538087  -0.259906233961  0.933155044397  0.841559524141  0.000059961266  0.000444971277  0.000330276425
  19  Al  5.782950543113  2.031351001439  7.548443651836  0.013407701030  -0.806845853036  1.307579386400  -0.000331705012  -0.001376323433  0.000978847077
  20  Al  3.869607031903  0.134688195543  3.875223555532  -0.245542275783  -0.744453687921  0.178396637470  -0.000455205969  -0.000168940282  0.000809840673
  21  Al  3.877948576634  1.894253068323  5.845959219558  -0.297005821210  0.354168357812  -0.215633395483  0.000254865564  0.001171200299  0.001421437022
  22  Al  5.756057596397  0.044586976235  5.821807545703  -0.138988257212  -0.256360428744  -0.156632600313  -0.000632947157  0.001238036018  0.000857289826
  23  Al  5.864784309074  1.944515592775  3.843325613279  -0.347941686010  -0.056610629424  -0.025970849123  0.000828147134  0.000380308683  0.000358522162
  24  Al  3.884372816750  3.809130077549  0.128994122847  -0.296646347069  0.070821249320  -0.928171304553  0.000799108782  -0.000863709896  -0.001328104616
  25  Al  3.809194205057  5.910617565180  2.052741767170  0.486583421630  -0.411545070128  -0.757085108920  0.001820568885  0.002087224544  -0.000205310490
  26  Al  5.683610488963  3.955655302781  1.845812335299  0.570578217854  -0.751846364590  0.657239248208  0.000194167953  0.000362672017  0.000813442553
  27  Al  5.687253240232  5.804309714831  0.093508242259  0.123034980994  -0.387873808854  -1.146115403424  -0.001659649387  -0.000990883368  -0.002958742016
  28  Al  3.868695995902  3.909169835403  3.953653404121  -0.168601707399  -0.255649688077  -0.320650099593  0.000167836928  0.001024608351  0.000533895266
  29  Al  3.750389557801  5.798281227675  5.983432711529  0.500180612117  -0.125506353394  -0.616458633152  0.001008899310  0.000307072834  0.002332951054
  30  Al  5.786156850975  3.734941096524  5.801449247578  -0.231467267084  1.088982689017  -0.457818438436  -0.000468244210  0.002188439218  -0.001730866307
  31  Al  5.862479172457  5.718324843350  3.824570447489  -0.648693872411  0.356975734541  0.210399076515  -0.000467609681  0.000642194034  -0.000844732032


MDSTEP:  80
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.674362782792  0.000000000000  0.000000000000
  0.000000000000  7.676187031473  0.000000000000
  0.000000000000  0.000000000000  7.716673145943
VIRIAL (kbar)
  84.297388847222  0.107243393998  2.193811221747
  0.107243393998  82.605711837682  -0.262937974762
  2.193811221747  -0.262937974762  93.415448388552
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.562950790341  7.628575989235  7.614978030502  0.642260249951  -0.020188959371  0.198177340082  0.000479657654  -0.001228139503  -0.002858437402
  1  Al  7.632605895496  1.838298372003  1.787086840024  0.199637504523  0.490932937987  0.400570831511  0.000498984520  0.000089655103  -0.002322243422
  2  Al  1.830439654918  7.570708632759  1.883072333341  0.096384484502  1.059379470780  0.426367967049  -0.001992570319  0.001859627720  0.001021137683
  3  Al  1.822593404704  1.862117836628  7.659373478037  0.309835063638  0.037507632787  0.289321270739  -0.001701181856  -0.001730013585  -0.001443016709
  4  Al  0.055327558151  7.580025270514  4.012961730178  -0.040043228983  0.529268259946  -1.143012480606  0.002218641665  -0.000288568817  -0.001705638925
  5  Al  0.019531769910  1.906453410795  5.842285923699  -0.197037890663  0.036165022230  -0.578103324360  0.000133343439  -0.000604946762  -0.001199753856
  6  Al  1.876751231149  0.007762646167  5.776938887438  0.431447566847  -0.163659863233  0.303356411310  0.000139064253  0.000612884816  0.001314008203
  7  Al  1.893287224528  1.931656863178  3.944753707174  -0.043883041106  -0.139058813923  -0.492103842740  -0.001271928480  -0.000622790622  0.000593534037
  8  Al  7.614376487656  3.948769084693  7.564055075002  0.187660446972  -0.475083104652  0.911302029045  -0.000881316128  0.000724155164  0.000157229276
  9  Al  0.040787906671  5.731001766202  1.929371196492  -0.291510239357  -0.029235158767  -0.057727572819  0.000101000219  -0.001003449813  0.000248006512
  10  Al  1.973556277914  3.743083752434  1.948840321654  -0.440540550351  0.391777306395  0.234872657916  -0.001050246039  0.000644690493  0.002509877407
  11  Al  1.931711085244  5.799594526359  0.164496165113  0.000119123957  -0.276683652178  -0.848082964694  -0.000364324450  0.000051738949  0.001484628468
  12  Al  7.650206783957  3.873781861959  3.763957743908  0.478562203923  -0.486682205777  0.360388065074  0.002541584641  -0.001093915303  -0.000520483006
  13  Al  0.007679375083  5.703378530349  5.688078719363  -0.094482038499  0.103057532530  0.603387743536  -0.000212980810  -0.001192982079  0.000412844490
  14  Al  1.880158906914  3.764659067395  5.813343636952  0.218999037900  0.385390465575  -0.368138045760  -0.000691577923  -0.001149204100  -0.001365696373
  15  Al  2.003145500928  5.754300521911  3.735921975997  -0.589984945115  -0.205906427504  0.956114067799  -0.001260205670  -0.001405440435  0.000657345399
  16  Al  3.995182479739  0.158692308993  0.026603358161  -0.639614379498  -0.853979966546  0.004708548427  0.002022711156  0.000935528397  0.001640166837
  17  Al  3.698327558495  1.788457880477  1.908784674238  0.713278246005  0.627583017517  0.226711475739  0.000340223457  -0.000873950662  0.000262001048
  18  Al  5.842756193004  7.553164947963  1.794052775555  -0.253117262287  0.932106392425  0.834750474809  0.000014139725  0.000612334204  0.000480531947
  19  Al  5.780450713105  2.029795249587  7.547264411865  0.020609956601  -0.796133487996  1.301406489801  -0.000329042898  -0.001521299288  0.001213154915
  20  Al  3.867806252369  0.134515306565  3.874749843880  -0.244414343162  -0.743103607737  0.181240007549  -0.000499555564  -0.000302198758  0.000842795535
  21  Al  3.876497296577  1.894079538547  5.845322850936  -0.300536350018  0.352515530528  -0.220134853762  0.000201707505  0.001235764947  0.001383843493
  22  Al  5.753411135451  0.045176519778  5.820897162933  -0.138280243292  -0.260408983008  -0.163144703588  -0.000658475668  0.001193238551  0.000829522026
  23  Al  5.862815434838  1.943907544683  3.842624324078  -0.348572305379  -0.056082206782  -0.027003795157  0.000766794083  0.000370666885  0.000354132751
  24  Al  3.883191181407  3.807142440383  0.128258823962  -0.304747071032  0.069215493663  -0.921127616547  0.000746231010  -0.000852179774  -0.001494803557
  25  Al  3.808588840097  5.909224403282  2.052135514258  0.476902119198  -0.414198943233  -0.758297114013  0.001908843452  0.002015768530  -0.000341050572
  26  Al  5.681438695300  3.954184355819  1.845826210461  0.570290244016  -0.756317317210  0.652966549543  0.000296442482  0.000228183508  0.000931422680
  27  Al  5.684132724262  5.801421492543  0.091955702958  0.130211263045  -0.381757678723  -1.133362282473  -0.001638901556  -0.001060870745  -0.003165503857
  28  Al  3.867210659093  3.908071177012  3.953001417338  -0.170346053309  -0.262533442109  -0.320781421749  0.000137710445  0.000979438229  0.000477043122
  29  Al  3.749402554740  5.796056415352  5.983202895833  0.493032027029  -0.124952243752  -0.621842649729  0.001098901204  0.000285023261  0.002224463356
  30  Al  5.783576488204  3.734555959231  5.799235506274  -0.227269727979  1.076005907025  -0.448541066281  -0.000509816152  0.002384624204  -0.001813617755
  31  Al  5.859849670447  5.716321935915  3.823282165262  -0.644849868078  0.355061093115  0.215761804349  -0.000583855048  0.000706627283  -0.000807436748


