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
  8.099872703028  0.000000000000  0.000000000000
  0.000000000000  8.099872703028  0.000000000000
  0.000000000000  0.000000000000  8.099872703028
VIRIAL (kbar)
  -83.304732305637  -0.000390050546  0.000110549621
  -0.000390050546  -83.305306856583  -0.001001739889
  0.000110549621  -0.001001739889  -83.301009063620
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.097656414442  8.099228201358  8.098868531867  0.006551900421  -0.000133128985  -0.004149152787  -0.004424557670  -0.001281531301  -0.002001240798
  1  Al  8.098822215172  2.023467589895  2.022977122747  0.006155017371  0.002997318722  -0.000018710507  -0.002092954475  -0.002999075540  -0.003980295126
  2  Al  2.023707193447  8.097824128287  2.023849639463  0.002547529778  0.000065976656  0.004144639049  -0.002519900998  -0.004089704468  -0.002234861637
  3  Al  2.023624360910  2.024343203287  8.099526256726  0.001568107389  -0.001164210255  -0.007771115852  -0.002685656275  -0.001248192844  -0.000686093887
  4  Al  0.000336337769  8.098292244892  4.053145566855  0.004484374315  0.001423444562  -0.009239078959  0.000673087178  -0.003153334957  0.006421459416
  5  Al  0.000288801436  2.024939765781  6.076120430811  -0.000799148241  -0.001497922366  -0.002796763339  0.000577540647  -0.000055078645  0.002437224252
  6  Al  2.024408063943  8.099515757998  6.074434252825  -0.002957133185  0.007077700822  0.002296457017  -0.001118629748  -0.000705764194  -0.000934730215
  7  Al  2.024819565298  2.025415782137  4.051160781109  -0.001510392147  -0.004063629940  0.001039682290  -0.000295484562  0.000896739889  0.002452743484
  8  Al  8.099007923867  4.051874056906  8.097113511628  0.000516761460  -0.005509553549  0.005553479699  -0.001722035216  0.003878732347  -0.005510469889
  9  Al  0.000627404558  6.074643879544  2.024751725007  0.000847530519  0.000402577589  0.002904265310  0.001254904915  -0.000515639398  -0.000430772640
  10  Al  2.026196314112  4.047615876496  2.024626954438  -0.002816984030  0.014423180301  0.004474053603  0.002457940207  -0.004635982425  -0.000680177421
  11  Al  2.025466269665  6.075565204735  0.002251169914  -0.005059027349  0.001589709511  0.004069459462  0.000997627568  0.001327146525  0.004502775504
  12  Al  8.098714076523  4.050662127622  4.048162484165  0.007413236144  0.001213473895  0.007196168475  -0.002309122741  0.001455436128  -0.003543395733
  13  Al  0.000177022469  6.074173757921  6.073028533517  0.001076653273  0.001545026477  0.005369683642  0.000354146842  -0.001455795518  -0.003745938962
  14  Al  2.024637660997  4.049169168674  6.075730352418  -0.004488543648  -0.004436966386  -0.002931742859  -0.000659565218  -0.001531034578  0.001657042946
  15  Al  2.026954656339  6.075213903161  4.047894332342  -0.008683979430  -0.002845498778  -0.001459494629  0.003974124361  0.000624135655  -0.004080481755
  16  Al  4.052257845688  0.002483394384  8.099749786220  -0.002284997070  -0.000737552231  0.006012076582  0.004646610438  0.004966802112  -0.000237795546
  17  Al  4.047142902124  2.022796248849  2.024638338087  0.010330823417  0.003496719047  -0.001015462921  -0.005582312125  -0.004341734418  -0.000657900523
  18  Al  6.076774206888  8.097784932525  2.022482252872  -0.008563339952  -0.000530985229  0.002909243424  0.003744281745  -0.004168150611  -0.004969788915
  19  Al  6.075713047784  2.027399634832  8.096867219212  -0.007545018176  -0.007699432264  0.000536041568  0.001622020699  0.004864183572  -0.006003511143
  20  Al  4.050663039890  0.002650111736  4.050185668259  -0.002923264229  -0.008683866663  -0.001123739847  0.001456890867  0.005299531736  0.000502293244
  21  Al  4.050467449395  2.024213183354  6.075396310631  0.000878075877  0.002234296760  0.005630240130  0.001066043474  -0.001507933033  0.000989714149
  22  Al  6.074922371487  0.000164888442  6.075173764504  0.000843038529  0.007620923054  0.003235946987  0.000041392755  0.000330463459  0.000544400741
  23  Al  6.076831113101  2.025349793726  4.049213573328  -0.005830946686  -0.001396981816  0.008584177739  0.003858340263  0.000764999359  -0.001441059763
  24  Al  4.050390708484  4.049685862953  0.002707355947  0.002977639297  -0.001667173902  -0.008255112848  0.000912746903  -0.000497381907  0.005414060316
  25  Al  4.049048680511  6.077312059418  2.027250257118  0.001234824152  -0.004949525941  -0.005189961727  -0.001771507694  0.004820327051  0.004565647721
  26  Al  6.073650957797  4.051722659953  2.023301869037  -0.000398272642  0.001588054309  0.001839484462  -0.002501586186  0.003576568134  -0.003330626057
  27  Al  6.073935634342  6.075993759139  0.002193315337  0.001946283814  -0.003898227617  -0.004287913067  -0.001932014405  0.002183778394  0.004386317354
  28  Al  4.050450321964  4.050943801562  4.051777047040  -0.001462000245  -0.000904182916  -0.008952061930  0.001031578862  0.002018603680  0.003684401757
  29  Al  4.047801021861  6.075592064108  6.078095664005  0.012033263240  -0.001563587710  -0.007886890627  -0.004265899443  0.001380584225  0.006387298639
  30  Al  6.075478445294  4.047740033417  6.075341373340  -0.000790692522  0.002928594846  0.003725784364  0.001153412065  -0.004388692235  0.000879667555
  31  Al  6.076931186828  6.073995087027  4.049756726633  -0.005291319446  0.003075429998  -0.004443681904  0.004058539155  -0.001813006192  -0.000355900504


MDSTEP:  2
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.099490925580  0.000000000000  0.000000000000
  0.000000000000  8.099490925580  0.000000000000
  0.000000000000  0.000000000000  8.099490925580
VIRIAL (kbar)
  -83.196700962874  -0.001354247721  0.000284170976
  -0.001354247721  -83.198704066682  -0.004238854416
  0.000284170976  -0.004238854416  -83.181410430178
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.095062753850  8.098205682214  8.097485995151  0.011503452661  0.000348105102  -0.009513996891  -0.004423158591  -0.001281574383  -0.002002559592
  1  Al  8.097394284348  2.021872811361  2.020891622364  0.011832208932  0.005441298165  0.000080704474  -0.002091448138  -0.002998466913  -0.003980483082
  2  Al  2.022351970962  8.095397596602  2.022637001438  0.005911391714  -0.001604263823  0.009407973022  -0.002519267261  -0.004090040811  -0.002233758660
  3  Al  2.022186220851  2.023623639461  8.098801101053  0.004075797929  -0.002937771004  -0.017259906395  -0.002685282263  -0.001248620247  -0.000688365050
  4  Al  0.000673066199  8.096333936921  4.056164845972  0.009358872101  0.001666473417  -0.017409751181  0.000674357506  -0.003153212010  0.006419389145
  5  Al  0.000577522640  2.024816716460  6.077052528429  -0.002638570675  -0.002957468037  -0.005586156126  0.000577261387  -0.000055479641  0.002436593291
  6  Al  2.023753198515  8.098781431380  6.073680679101  -0.005806229216  0.015651609958  0.003403347454  -0.001119467586  -0.000703766471  -0.000934266085
  7  Al  2.024576318038  2.025768505314  4.052196253792  -0.002349365755  -0.007944517295  0.003793412705  -0.000295843995  0.000895709938  0.002453294807
  8  Al  8.097765192035  4.053622198186  8.093976875486  -0.000677875539  -0.010683777469  0.009867200952  -0.001722133335  0.003877473201  -0.005509359145
  9  Al  0.001254865791  6.074099756849  2.024441034185  0.001840397602  0.000781135403  0.007388318093  0.001255206226  -0.000515558640  -0.000429873410
  10  Al  2.027329656958  4.045107748918  2.024191637182  -0.004383232869  0.029893477191  0.010206181763  0.002457415988  -0.004632245826  -0.000678898053
  11  Al  2.025869389847  6.075942485319  0.004502635120  -0.009654215792  0.003865926198  0.010870576543  0.000996360682  0.001327698785  0.004504330063
  12  Al  8.097178122824  4.051198977532  4.046200301535  0.014926063291  0.003176552973  0.015009373941  -0.002307237831  0.001455899358  -0.003541582784
  13  Al  0.000354135802  6.073159630043  6.070869558008  0.000985408091  0.002708945200  0.008671325033  0.000354348410  -0.001455485979  -0.003744865781
  14  Al  2.024212248730  4.048212599931  6.076272371448  -0.009186899108  -0.011278600363  -0.007823986571  -0.000660819887  -0.001532514003  0.001656161924
  15  Al  2.028845793832  6.075239496361  4.045663232246  -0.016978248797  -0.005451121786  -0.004940960078  0.003972023320  0.000623424267  -0.004081252334
  16  Al  4.054390052341  0.004966647254  8.099249385436  -0.003427403353  0.000154003377  0.012808059707  0.004646325632  0.004966991398  -0.000236124559
  17  Al  4.044161448717  2.020530194345  2.024213913378  0.020077738791  0.006379229292  -0.002086826331  -0.005579864935  -0.004341062563  -0.000658209855
  18  Al  6.078359545162  8.095319152904  2.019902159429  -0.017857957473  -0.002993070190  0.005316756032  0.003742101668  -0.004168668298  -0.004969295101
  19  Al  6.076237350286  2.029735825293  8.093483849598  -0.015419462933  -0.014857612413  -0.001462511150  0.001620046494  0.004862403407  -0.006003885826
  20  Al  4.051200432219  0.005299366493  4.050245864361  -0.006286587262  -0.017087204649  -0.002910860808  0.001456138319  0.005297485398  0.000501956963
  21  Al  4.050809597017  2.023363907375  6.075605063469  0.002340919425  0.004617471056  0.011044382079  0.001066383082  -0.001507393782  0.000991252998
  22  Al  6.074656771636  0.000330453166  6.075159763942  0.002294265212  0.017139672712  0.006612940705  0.000041675247  0.000332693157  0.000545307712
  23  Al  6.078473600128  2.025636768895  4.048302571959  -0.011793849489  -0.002286127722  0.019411805127  0.003856952151  0.000764707273  -0.001438626937
  24  Al  4.050656305229  4.049246220379  0.005413891503  0.007458295483  -0.004774894872  -0.014956231977  0.000913724263  -0.000497982017  0.005412248388
  25  Al  4.047972134320  6.079435556924  2.029437298754  0.002459783499  -0.009058206311  -0.008919776230  -0.001771263511  0.004819309075  0.004564608245
  26  Al  6.072113871978  4.053320043404  2.021541271179  -0.002237983739  0.004930316322  0.003589184599  -0.002501943484  0.003577324757  -0.003330302642
  27  Al  6.072683426004  6.076799090471  0.004386180590  0.003395870840  -0.007718883867  -0.007092648627  -0.001931630732  0.002182845970  0.004385513153
  28  Al  4.050775133477  4.051762127522  4.053427873650  -0.002858547443  -0.001885220990  -0.017800009372  0.001031242748  0.002018452436  0.003682189197
  29  Al  4.045477820358  6.075995921348  6.081002479652  0.024158462018  -0.002676050834  -0.016419209282  -0.004262871233  0.001380272311  0.006385436152
  30  Al  6.075768756272  4.045355031382  6.075495020303  -0.000907348572  0.003489240288  0.007002306627  0.001153316330  -0.004388331824  0.000880669426
  31  Al  6.078673792779  6.072802430508  4.049387697366  -0.010155149575  0.005951334971  -0.010301017835  0.004057355521  -0.001812287324  -0.000357236004


MDSTEP:  3
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.098855087507  0.000000000000  0.000000000000
  0.000000000000  8.098855087507  0.000000000000
  0.000000000000  0.000000000000  8.098855087507
VIRIAL (kbar)
  -83.017610531961  -0.002454061485  0.000288856368
  -0.002454061485  -83.022389073625  -0.009887526589
  0.000288856368  -0.009887526589  -82.983715251900
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.092216195558  8.096929172614  8.095848608184  0.017897129684  0.000788439776  -0.012877741186  -0.004420888298  -0.001281576559  -0.002004723653
  1  Al  8.095713414384  2.020215095255  2.018742734986  0.019000970341  0.011247418230  0.000941907571  -0.002088860935  -0.002997217720  -0.003980714012
  2  Al  2.020933838373  8.092716985233  2.021361757241  0.008198108594  -0.002543957323  0.016006490643  -0.002518209851  -0.004090742900  -0.002231667431
  3  Al  2.020685011624  2.022840335795  8.097820362702  0.004788289673  -0.001309874423  -0.024213701450  -0.002684707252  -0.001249101116  -0.000692128658
  4  Al  0.001010610851  8.094121813219  4.059055343346  0.015575323721  0.002163809329  -0.027164176850  0.000676641307  -0.003153124930  0.006415923972
  5  Al  0.000865990413  2.024629889291  6.077793507230  -0.002928428623  -0.001918247421  -0.009803072100  0.000576810430  -0.000055920037  0.002435414773
  6  Al  2.023034332874  8.097794464929  6.072736892648  -0.010027689297  0.024230651520  0.002956510350  -0.001120973843  -0.000700257874  -0.000933773156
  7  Al  2.024269354598  2.026056975893  4.053104960835  -0.003991656020  -0.009524645707  0.004527759445  -0.000296434859  0.000894220682  0.002454237421
  8  Al  8.096268391408  4.055242236263  8.090587228356  0.000224218122  -0.016598852366  0.016106782604  -0.001722313358  0.003875348066  -0.005507483163
  9  Al  0.001882453429  6.073365174270  2.024067501828  0.003462844206  -0.001641425574  0.012988510229  0.001255782003  -0.000515677304  -0.000428086475
  10  Al  2.028399018151  4.042475404362  2.023693737881  -0.007202875250  0.044749514384  0.017007372251  0.002456579167  -0.004625947662  -0.000676520062
  11  Al  2.026208101520  6.076129525813  0.006754935350  -0.015365169996  0.002603830021  0.018301832233  0.000994204565  0.001328384722  0.004507302938
  12  Al  8.095389513138  4.051609036952  4.044112538115  0.022928452728  0.004918099450  0.020851649304  -0.002304040376  0.001456740947  -0.003538663515
  13  Al  0.000531326470  6.071955243187  6.068520926122  0.002550270171  0.001378887831  0.010991516312  0.000354693206  -0.001455238386  -0.003743411139
  14  Al  2.023722520075  4.047128039152  6.076623095303  -0.014904956295  -0.017348648825  -0.013014869606  -0.000663027284  -0.001535197470  0.001654432992
  15  Al  2.030671777633  6.075074037896  4.043304784143  -0.026569828162  -0.010610759931  -0.009520036094  0.003968451664  0.000622038775  -0.004082875703
  16  Al  4.056394781173  0.007449763002  8.098496076392  -0.005033900476  0.000468543653  0.020990099429  0.004645945444  0.004967449301  -0.000233122028
  17  Al  4.041054929567  2.018201326909  2.023725806969  0.028662366489  0.012466328388  -0.001938500928  -0.005575959306  -0.004339729271  -0.000658623035
  18  Al  6.079752627828  8.092599171824  2.017259177148  -0.026087240311  -0.004847490249  0.008736961041  0.003738475889  -0.004169706861  -0.004968441090
  19  Al  6.076569679651  2.032007024605  8.089846471112  -0.022578499899  -0.019988484541  -0.001055251855  0.001616780563  0.004859681840  -0.006004597138
  20  Al  4.051610188023  0.007946932680  4.050178754723  -0.011286044881  -0.025028775355  -0.006125518463  0.001454685198  0.005294149117  0.000501189735
  21  Al  4.051024891275  2.022451574875  6.075624228212  0.003104020665  0.009675539113  0.015118770756  0.001066956235  -0.001506238020  0.000993672335
  22  Al  6.074200830250  0.000497540115  6.074955792649  0.004397692790  0.026826312730  0.009036508839  0.000042276903  0.000336650786  0.000546750979
  23  Al  6.079924370205  2.025860001321  4.047266319505  -0.016908814123  -0.000216372382  0.028222802955  0.003854698400  0.000764545471  -0.001434484770
  24  Al  4.050795510753  4.048679135791  0.008118925515  0.010205824966  -0.007621278322  -0.020693442863  0.000915377483  -0.000499130599  0.005409499508
  25  Al  4.046768831595  6.081367552818  2.031559889145  0.002810647115  -0.016350436215  -0.011863332280  -0.001770935763  0.004817427754  0.004563119833
  26  Al  6.070386116702  4.054790728711  2.019717580245  -0.002442772930  0.007807056027  0.007282778664  -0.002502564574  0.003578753220  -0.003329600357
  27  Al  6.071241034565  6.077413120022  0.006578278515  0.005625446171  -0.013798875968  -0.008419240822  -0.001930980631  0.002181098994  0.004384481500
  28  Al  4.050972627847  4.052453193369  4.054949966780  -0.005120574179  -0.002867280075  -0.028403605246  0.001030612905  0.002018191011  0.003678356657
  29  Al  4.043029877931  6.076208952030  6.083717088021  0.034866593323  -0.006957376948  -0.025457882480  -0.004257939445  0.001379522834  0.006382209334
  30  Al  6.075868405714  4.042843444351  6.075458721159  -0.000346726532  0.004390147433  0.008412225154  0.001153297612  -0.004387982767  0.000882118850
  31  Al  6.080224822196  6.071419815729  4.048890727759  -0.013503021786  0.005458203738  -0.017930105556  0.004055568991  -0.001811414044  -0.000359788878


MDSTEP:  4
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.097965884465  0.000000000000  0.000000000000
  0.000000000000  8.097965884465  0.000000000000
  0.000000000000  0.000000000000  8.097965884465
VIRIAL (kbar)
  -82.766118314166  -0.004270281900  0.000522527866
  -0.004270281900  -82.774382980024  -0.017634017052
  0.000522527866  -0.017634017052  -82.705464433652
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.089118073388  8.095399426874  8.093956796069  0.023658487130  0.001248799707  -0.018076197397  -0.004417673889  -0.001281539611  -0.002007718186
  1  Al  8.093780973286  2.018495179686  2.016530771446  0.024811720292  0.013789648482  0.000246962356  -0.002085180538  -0.002995318853  -0.003981058698
  2  Al  2.019453211946  8.089782967406  2.020024704302  0.011821433389  -0.003233754787  0.020222655982  -0.002516705306  -0.004091722894  -0.002228681214
  3  Al  2.019121011262  2.021993630536  8.096584126052  0.007020635284  -0.003287390085  -0.033281586750  -0.002683955634  -0.001249653643  -0.000697347398
  4  Al  0.001349517307  8.091656661374  4.061816438148  0.020213682735  0.002761345329  -0.035415024821  0.000679917657  -0.003153041819  0.006411055982
  5  Al  0.001154170156  2.024379551933  6.078343475292  -0.004235920637  -0.003978313396  -0.012116348046  0.000576235253  -0.000056453551  0.002433730991
  6  Al  2.022251280401  8.096556331834  6.071603389322  -0.012686148246  0.032790902912  0.005202663761  -0.001123131554  -0.000695239232  -0.000933149478
  7  Al  2.023898706529  2.026281213050  4.053887278777  -0.004568769569  -0.013758403054  0.007079966695  -0.000297233782  0.000892240382  0.002455553244
  8  Al  8.094518324216  4.056733931802  8.086945906637  -0.000470767878  -0.022301840386  0.020608371855  -0.001722530522  0.003872309215  -0.005504824613
  9  Al  0.002510293619  6.072440444737  2.023631808965  0.003906652963  -0.000929408115  0.016365209494  0.001256583136  -0.000515965569  -0.000425510623
  10  Al  2.029404282542  4.039720588471  2.023134048677  -0.008748616034  0.059810359468  0.022148716521  0.002455431341  -0.004617123630  -0.000673095981
  11  Al  2.026482053057  6.076126715136  0.009008667125  -0.019741366173  0.004827886265  0.023895000664  0.000991178522  0.001329199643  0.004511586153
  12  Al  8.093349693243  4.051892787480  4.041900117328  0.030346655145  0.006344467252  0.028649898169  -0.002299538376  0.001457912905  -0.003534638758
  13  Al  0.000708729035  6.070561022098  6.065983423393  0.002560874777  0.003152300756  0.015389928854  0.000355190348  -0.001454998142  -0.003741476616
  14  Al  2.023168147721  4.045915314598  6.076782556742  -0.019190830262  -0.023648104152  -0.016789573970  -0.000666150710  -0.001539036681  0.001651955776
  15  Al  2.032431864403  6.074717578864  4.040818987947  -0.034700657175  -0.013025114513  -0.011974674936  0.003963423404  0.000619996096  -0.004085259974
  16  Al  4.058272166448  0.009932694972  8.097491289750  -0.006102073002  0.000740494505  0.027289971697  0.004645476180  0.004968120158  -0.000228831990
  17  Al  4.037824543938  2.015810429980  2.023174215946  0.038644635888  0.015347282804  -0.003695445367  -0.005570573470  -0.004337734263  -0.000659201350
  18  Al  6.080953184625  8.089625581921  2.014553860513  -0.035778917673  -0.006520946525  0.011044120620  0.003733368319  -0.004171195636  -0.004967235452
  19  Al  6.076709893240  2.034212874803  8.085955906209  -0.031017455793  -0.028031769461  -0.002260679666  0.001612172017  0.004855939176  -0.006005573860
  20  Al  4.051892186269  0.010592020597  4.049984392233  -0.014463223535  -0.033499901443  -0.007533618604  0.001452547903  0.005289516175  0.000500025329
  21  Al  4.051113732161  2.021476834641  6.075454675914  0.004910934635  0.011745422730  0.021338015035  0.001067793682  -0.001504493535  0.000997044304
  22  Al  6.073555256487  0.000667010235  6.074562580814  0.004941712593  0.036129540252  0.012954123765  0.000043116676  0.000342317453  0.000548778979
  23  Al  6.081183429752  2.026019838440  4.046105973121  -0.023442989895  -0.001660830297  0.038699940673  0.003851527473  0.000764464257  -0.001428664100
  24  Al  4.050808904746  4.047984710058  0.010821863621  0.014485699114  -0.010529677554  -0.028470413321  0.000917688716  -0.000500809920  0.005405716890
  25  Al  4.045439178192  6.083107844383  2.033617870345  0.004488314928  -0.020511386175  -0.016774280254  -0.001770483834  0.004814677915  0.004561076464
  26  Al  6.068468233073  4.056135267017  2.017831350484  -0.003977960696  0.010540727552  0.008859441718  -0.002503422132  0.003580799030  -0.003328534384
  27  Al  6.069609210166  6.077835793138  0.008769424503  0.006607095854  -0.017232393690  -0.012003602291  -0.001930105750  0.002178571762  0.004383152328
  28  Al  4.051042935158  4.053017228749  4.056342670893  -0.006438713700  -0.003542855205  -0.037011394092  0.001029696213  0.002017846558  0.003672924994
  29  Al  4.040458563852  6.076231274375  6.086239106693  0.047111306662  -0.007929149999  -0.032920740582  -0.004251092648  0.001378348200  0.006377713075
  30  Al  6.075777948119  4.040205766756  6.075233110428  -0.001244026234  0.005608905912  0.011842652022  0.001153286049  -0.004387585924  0.000884029659
  31  Al  6.081584436454  6.069847747622  4.048265489000  -0.018721404887  0.008783154910  -0.023514059784  0.004053147444  -0.001810346020  -0.000363534927


MDSTEP:  5
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.096824293681  0.000000000000  0.000000000000
  0.000000000000  8.096824293681  0.000000000000
  0.000000000000  0.000000000000  8.096824293681
VIRIAL (kbar)
  -82.442700275281  -0.006516969410  0.000828482647
  -0.006516969410  -82.455488536834  -0.027545265627
  0.000828482647  -0.027545265627  -82.347531148405
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.085769945443  8.093617482461  8.091811101164  0.030287949740  0.001648143362  -0.022908541559  -0.004413493573  -0.001281467082  -0.002011674598
  1  Al  8.091598488843  2.016713580857  2.014255973203  0.031278309300  0.017731846486  0.001207336606  -0.002080469176  -0.002992936492  -0.003981507952
  2  Al  2.017910697400  8.086596519604  2.018626497066  0.013890643071  -0.003441864906  0.025842969250  -0.002514772698  -0.004092915113  -0.002224886972
  3  Al  2.017494703617  2.021083609805  8.095092568006  0.007895229945  -0.003793317400  -0.041573261670  -0.002683012607  -0.001250468534  -0.000704141324
  4  Al  0.001690190136  8.088939558985  4.064447785858  0.025551276977  0.003676442553  -0.044305992667  0.000684108243  -0.003152925037  0.006404861323
  5  Al  0.001441936394  2.024065765359  6.078702922474  -0.004770962045  -0.004876092828  -0.016108137017  0.000575513833  -0.000057253400  0.002431561686
  6  Al  2.021404064444  8.095068784999  6.070281116750  -0.016565338494  0.040796341504  0.006129384156  -0.001125910231  -0.000688761270  -0.000932272108
  7  Al  2.023464570963  2.026441069291  4.054543887840  -0.006587452998  -0.016699659434  0.008988275932  -0.000298274463  0.000889647084  0.002457347141
  8  Al  8.092515931204  4.058097205881  8.083054371993  -0.000168838544  -0.027873723641  0.025817625382  -0.001722838349  0.003868386682  -0.005501474858
  9  Al  0.003138407330  6.071326372504  2.023134508135  0.005039241157  -0.001599874820  0.021092949957  0.001257565794  -0.000516266779  -0.000422223562
  10  Al  2.030345519674  4.036845205124  2.022513283563  -0.012010704010  0.074466356750  0.028575398675  0.002453932623  -0.004605790344  -0.000668658892
  11  Al  2.026691082750  6.075934965252  0.011264263321  -0.025372429350  0.005538243010  0.029144330683  0.000987289312  0.001330319844  0.004516984648
  12  Al  8.091060337831  4.052050823547  4.039564277617  0.038486290717  0.007427489896  0.035835338278  -0.002293718914  0.001459356335  -0.003529387724
  13  Al  0.000886339159  6.068977879908  6.063258231691  0.003445806181  0.003704212133  0.018611486299  0.000355779063  -0.001454596845  -0.003738981108
  14  Al  2.022549002710  4.044574374600  6.076751126607  -0.024491030241  -0.029362286256  -0.021838767930  -0.000670153052  -0.001544000059  0.001648742552
  15  Al  2.034125512490  6.074170627092  4.038206173642  -0.044271969933  -0.016752432017  -0.014049055254  0.003956939505  0.000617424026  -0.004088181085
  16  Al  4.060022532103  0.012415393497  8.096236569385  -0.007935589247  0.000768901108  0.033858928580  0.004644897087  0.004968978009  -0.000223398222
  17  Al  4.034471755855  2.013358070033  2.022559237357  0.048106197280  0.019757550532  -0.003819477743  -0.005563628008  -0.004335226864  -0.000659969147
  18  Al  6.081961026401  8.086399272920  2.011786734070  -0.044012005748  -0.007572270746  0.015008393317  0.003726777784  -0.004173062595  -0.004965628980
  19  Al  6.076657945489  2.036352828782  8.081813113776  -0.037924032630  -0.035028053062  -0.002338085212  0.001606242834  0.004851007842  -0.006006858876
  20  Al  4.052046609883  0.013233794119  4.049663132165  -0.018336917279  -0.041905950015  -0.009187683775  0.001449826738  0.005283544123  0.000498603105
  21  Al  4.051076753929  2.020440138446  6.075097680671  0.005796006188  0.015126780387  0.025888218089  0.001068906317  -0.001502309920  0.001001411681
  22  Al  6.072720831266  0.000839690179  6.073981203434  0.006827150699  0.045068776064  0.015285325166  0.000044175154  0.000349626862  0.000551383601
  23  Al  6.082250870152  2.026116384041  4.044822979398  -0.028613060696  -0.001849115095  0.048148888692  0.003847433790  0.000764261683  -0.001421107194
  24  Al  4.050697344793  4.047163179227  0.013521930031  0.017662827796  -0.013310627737  -0.036089430549  0.000920696512  -0.000503014253  0.005400731442
  25  Al  4.043983839078  6.084656720830  2.035610979687  0.005583621521  -0.025983516947  -0.020589269818  -0.001769840964  0.004811221577  0.004558399620
  26  Al  6.066360854037  4.057354338019  2.015883016734  -0.003956123380  0.012592963955  0.012267854726  -0.002504495753  0.003583388351  -0.003327129811
  27  Al  6.067788802234  6.078067503318  0.010959232828  0.008914450849  -0.021965561110  -0.015756739098  -0.001928998880  0.002175384238  0.004381308178
  28  Al  4.050986410840  4.053454631828  4.057605650329  -0.008355020784  -0.004411549658  -0.045881084171  0.001028523397  0.002017429002  0.003666048368
  29  Al  4.037765524769  6.076063513890  6.088568506401  0.058213726182  -0.010266461302  -0.041562549239  -0.004242294550  0.001376921969  0.006371981847
  30  Al  6.075498019013  4.037442661508  6.074819214561  -0.000927147431  0.007472186189  0.013475671809  0.001153259746  -0.004387054828  0.000886421897
  31  Al  6.082752841574  6.068087283325  4.047511975881  -0.022680104792  0.010916123049  -0.029170299895  0.004050035676  -0.001808848211  -0.000368298111


MDSTEP:  6
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.095431571329  0.000000000000  0.000000000000
  0.000000000000  8.095431571329  0.000000000000
  0.000000000000  0.000000000000  8.095431571329
VIRIAL (kbar)
  -82.047602554197  -0.009302194351  0.001120997382
  -0.009302194351  -82.065712147873  -0.039547613429
  0.001120997382  -0.039547613429  -81.910012188125
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.082173725370  8.091584650054  8.089412377119  0.034878286873  0.002104997985  -0.028738526359  -0.004408451128  -0.001281359128  -0.002016649515
  1  Al  8.089167825910  2.014871009184  2.011918798583  0.035786949981  0.019449349467  -0.000358739111  -0.002074842573  -0.002990143805  -0.003982139242
  2  Al  2.016306830688  8.083158939447  2.017167984714  0.018664521046  -0.003921386462  0.029293586004  -0.002512308684  -0.004094300389  -0.002220352531
  3  Al  2.015806520301  2.020110560761  8.093346213736  0.011276772116  -0.006488708316  -0.051133152878  -0.002681775025  -0.001251609919  -0.000712555010
  4  Al  0.002033096513  8.085971890305  4.066949125667  0.029073305100  0.004239163772  -0.052238898903  0.000689113580  -0.003152777320  0.006397367089
  5  Al  0.001729232841  2.023688764185  6.078872398338  -0.007246268715  -0.008085072905  -0.017661311729  0.000574541623  -0.000058422391  0.002428974327
  6  Al  2.020492668747  8.093333806444  6.068771113598  -0.017890792878  0.049289528321  0.009434675424  -0.001129190833  -0.000680829274  -0.000931046151
  7  Al  2.022967085843  2.026536582636  4.055075550668  -0.005871231391  -0.021960158535  0.012209721351  -0.000299441336  0.000886348628  0.002459678848
  8  Al  8.090262520817  4.059332131659  8.078914427066  -0.001903518806  -0.033340613335  0.030038007802  -0.001723329628  0.003863600748  -0.005497458086
  9  Al  0.003766877371  6.070023847335  2.022576342265  0.004229216120  -0.000117034445  0.023617892839  0.001258617819  -0.000516511978  -0.000418301082
  10  Al  2.031222715935  4.033851260334  2.021832340976  -0.012786418705  0.089640324979  0.032745313259  0.002452151427  -0.004591936063  -0.000663295139
  11  Al  2.026834986703  6.075555262282  0.013522126989  -0.028373773509  0.008294875442  0.033888204100  0.000982659367  0.001331792905  0.004523422480
  12  Al  8.088523464466  4.052083848656  4.037106341282  0.044638428334  0.008906926011  0.044185051208  -0.002286694354  0.001461075948  -0.003522860183
  13  Al  0.001064230739  6.067206829436  6.060346636041  0.001776383179  0.006331097218  0.023957871148  0.000356309155  -0.001453957969  -0.003735839186
  14  Al  2.021864935051  4.043105359011  6.076529271409  -0.027202715687  -0.035530382132  -0.024673148242  -0.000674893873  -0.001550076164  0.001644876887
  15  Al  2.035752122142  6.073433782406  4.035466843835  -0.051338047270  -0.018170810273  -0.015676762857  0.003949094076  0.000614411297  -0.004091564896
  16  Al  4.061646274138  0.014897788205  8.094733762057  -0.007774613909  0.000455011120  0.039664043940  0.004644317468  0.004969969983  -0.000216864415
  17  Al  4.030998120971  2.010845019031  2.021881183836  0.059502372982  0.021722286728  -0.006387255644  -0.005554995188  -0.004332288252  -0.000660998921
  18  Al  6.082776304502  8.082921468227  2.008958539151  -0.055144130421  -0.009084552275  0.016754133695  0.003718574428  -0.004175293019  -0.004963671133
  19  Al  6.076414137456  2.038426503890  8.077419431204  -0.047289102889  -0.044379915978  -0.003470654074  0.001598909451  0.004844769791  -0.006008445106
  20  Al  4.052073719345  0.015871424162  4.049215447402  -0.020385625185  -0.050741151004  -0.010262974054  0.001446622169  0.005276199221  0.000496952634
  21  Al  4.050914648116  2.019342124691  6.074554576741  0.008567847881  0.016615395522  0.032812812876  0.001070380400  -0.001499738768  0.001006837839
  22  Al  6.071698664635  0.001016374046  6.073212802980  0.006304777891  0.053982645963  0.020051071813  0.000045357089  0.000358544872  0.000554640862
  23  Al  6.083127114836  2.026149924117  4.043418832075  -0.036439629750  -0.004087730147  0.059016947200  0.003842300958  0.000763866628  -0.001411778200
  24  Al  4.050461729530  4.046214930130  0.016218364308  0.022834687673  -0.016114870412  -0.044852084453  0.000924480808  -0.000505734446  0.005394453918
  25  Al  4.042403566236  6.086014564447  2.037539123235  0.008849895146  -0.028932715252  -0.026616654997  -0.001768864848  0.004807166197  0.004554988694
  26  Al  6.064064960422  4.058448700707  2.013873246585  -0.006387778469  0.015148023452  0.013395793447  -0.002505865400  0.003586505047  -0.003325426231
  27  Al  6.065780987495  6.078108737597  0.013147303651  0.008523513260  -0.024446012980  -0.020408349424  -0.001927782412  0.002171621081  0.004378852928
  28  Al  4.050803496559  4.053765923422  4.058738686367  -0.008203222806  -0.004878111699  -0.053548084070  0.001027225648  0.002016956757  0.003657809814
  29  Al  4.034952443654  6.075706383532  6.090705363140  0.071633484486  -0.010424911963  -0.047916254719  -0.004231438752  0.001375316567  0.006365113533
  30  Al  6.075029571931  4.034554987655  6.074218108690  -0.003072963588  0.009344898327  0.017028826204  0.001153106939  -0.004386330451  0.000889306658
  31  Al  6.083730566317  6.066139582212  4.046630316186  -0.029230608090  0.015179613805  -0.034151100796  0.004046113816  -0.001806836336  -0.000374024916


MDSTEP:  7
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.093789251738  0.000000000000  0.000000000000
  0.000000000000  8.093789251738  0.000000000000
  0.000000000000  0.000000000000  8.093789251738
VIRIAL (kbar)
  -81.580565873335  -0.012634791290  0.001615089071
  -0.012634791290  -81.604576637953  -0.054051599885
  0.001615089071  -0.054051599885  -81.392187403099
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.078331421421  8.089302523285  8.086761666072  0.043186567690  0.002519597556  -0.032729863780  -0.004402395353  -0.001281214189  -0.002022567959
  1  Al  8.086490951823  2.012968044891  2.009519548518  0.043824236168  0.024943907781  0.001842272788  -0.002068159478  -0.002986801321  -0.003982841156
  2  Al  2.014642458383  8.079471777361  2.015649891334  0.019040657395  -0.003884425207  0.035972854978  -0.002509464030  -0.004095856356  -0.002214982476
  3  Al  2.014057185847  2.019074644039  8.091345753115  0.010178653847  -0.005571389367  -0.058577759541  -0.002680418756  -0.001252950501  -0.000722513448
  4  Al  0.002378541425  8.082755285387  4.069320423323  0.035882638821  0.005075405235  -0.062230776074  0.000695065624  -0.003152605258  0.006388473234
  5  Al  0.002015829922  2.023248645943  6.078852879767  -0.006061792268  -0.007593199210  -0.022806986145  0.000573472177  -0.000059836408  0.002425865162
  6  Al  2.019517374635  8.091353699662  6.067074839528  -0.023364498628  0.057377480550  0.009284816733  -0.001133116062  -0.000671435005  -0.000929567590
  7  Al  2.022406703085  2.026567653583  4.055483287011  -0.009623625602  -0.023529156529  0.013374270049  -0.000300889465  0.000882467246  0.002462481763
  8  Al  8.087759497125  4.060438931867  8.074528062711  0.000056800242  -0.038905038032  0.036012940148  -0.001723855907  0.003857951074  -0.005492704686
  9  Al  0.004395613204  6.068534159981  2.021957926726  0.006619179156  -0.002237392460  0.029435830642  0.001259851533  -0.000516830732  -0.000413645285
  10  Al  2.032036150221  4.030740944081  2.021091986889  -0.017880750300  0.104467319257  0.040383991469  0.002449923425  -0.004575543513  -0.000656895757
  11  Al  2.026913865985  6.074988984244  0.015782617125  -0.035687422235  0.007311330471  0.039981461514  0.000977137683  0.001333467344  0.004530975060
  12  Al  8.085741190477  4.051992741203  4.034527872753  0.054318210293  0.009772961552  0.050497837037  -0.002278326007  0.001463052296  -0.003515133015
  13  Al  0.001242249402  6.065249277222  6.057250318996  0.003838686943  0.005354804414  0.026037920892  0.000356885864  -0.001453217860  -0.003732152066
  14  Al  2.021116095582  4.041508505849  6.076117864774  -0.034206682323  -0.041240632158  -0.030867608644  -0.000680525844  -0.001557265013  0.001640255787
  15  Al  2.037311388283  6.072508059874  4.032601679082  -0.062646128697  -0.023264201562  -0.018249666872  0.003939730534  0.000610835414  -0.004095455699
  16  Al  4.063144107205  0.017379779452  8.092984924252  -0.010899705138  0.000261350676  0.047175403773  0.004643621152  0.004971075610  -0.000209145667
  17  Al  4.027405505357  2.008271898632  2.021140218918  0.067487974291  0.027622962980  -0.005361619028  -0.005544805338  -0.004328784297  -0.000662187900
  18  Al  6.083399120834  8.079193627100  2.006069886924  -0.061745340562  -0.010112189369  0.022181748240  0.003708902816  -0.004177884408  -0.004961230186
  19  Al  6.075978759562  2.040433377814  8.072776378108  -0.052508815754  -0.050366290206  -0.002514120125  0.001590321745  0.004837314000  -0.006010239413
  20  Al  4.051974077799  0.018504044796  4.048642001805  -0.025887676079  -0.059342569090  -0.012712557883  0.001442788111  0.005267462540  0.000495002571
  21  Al  4.050628414281  2.018183331666  6.073827119473  0.008073857045  0.021617034018  0.036232654826  0.001072092636  -0.001496634765  0.001013222108
  22  Al  6.070489859998  0.001197853644  6.072258948292  0.009721115414  0.062825456958  0.021312535865  0.000046799448  0.000369063668  0.000558455364
  23  Al  6.083812559468  2.026120631113  4.041895290333  -0.039974961556  -0.002792270194  0.067591238303  0.003836274080  0.000763411583  -0.001400754205
  24  Al  4.050103275199  4.045140486497  0.018910305315  0.024569555389  -0.018858610631  -0.051936772070  0.000928912905  -0.000508967367  0.005386930696
  25  Al  4.040699444324  6.087182193043  2.039402080084  0.008631257294  -0.035883252397  -0.029587695943  -0.001767672590  0.004802378548  0.004550918147
  26  Al  6.061581521669  4.059419299032  2.011802572375  -0.004536215455  0.017213932436  0.018419131308  -0.002507367264  0.003590150125  -0.003323278626
  27  Al  6.063586909524  6.077960393658  0.015333158022  0.012355844197  -0.030600317754  -0.023640159644  -0.001926319631  0.002167154579  0.004375832306
  28  Al  4.050494958241  4.053951799928  4.059741807985  -0.011445700307  -0.005526343136  -0.063153866785  0.001025684144  0.002016449211  0.003648142234
  29  Al  4.032021348439  6.075161000056  6.092650167890  0.081257023728  -0.014230588469  -0.057602467533  -0.004218655819  0.001373400383  0.006357013211
  30  Al  6.074373549175  4.031543742970  6.073431248429  -0.001166951226  0.011560720142  0.017030776459  0.001152969516  -0.004385380570  0.000892538257
  31  Al  6.084518117501  6.064006202227  4.045620837135  -0.031405991788  0.016013601743  -0.040795764953  0.004041540341  -0.001804426059  -0.000380804200


MDSTEP:  8
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.091899148332  0.000000000000  0.000000000000
  0.000000000000  8.091899148332  0.000000000000
  0.000000000000  0.000000000000  8.091899148332
VIRIAL (kbar)
  -81.041412375695  -0.016290437049  0.001852698525
  -0.016290437049  -81.072593189316  -0.070562512623
  0.001852698525  -0.070562512623  -80.794907402276
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.074245651809  8.086772970681  8.083860453048  0.048408801260  0.003203730396  -0.037908044909  -0.004395268417  -0.001281011714  -0.002029371889
  1  Al  8.083570427711  2.011005674625  2.007058929203  0.048838390846  0.027214920455  0.000891627444  -0.002060373700  -0.002982858725  -0.003983558062
  2  Al  2.012918102826  8.075536907729  2.014073298638  0.023603922461  -0.003595135967  0.039870216849  -0.002506256888  -0.004097513727  -0.002208735975
  3  Al  2.012247093190  2.017976412630  8.089092344106  0.013295481062  -0.007889214936  -0.067261193474  -0.002678966908  -0.001254456441  -0.000733939112
  4  Al  0.002727123887  8.079291676802  4.071561602244  0.039639870686  0.005804772163  -0.070999409284  0.000701985866  -0.003152393409  0.006378103109
  5  Al  0.002301825444  2.022745908792  6.078645232624  -0.008133707679  -0.010486212667  -0.025007643503  0.000572341376  -0.000061467332  0.002422175587
  6  Al  2.018478162036  8.089131010670  6.065193654309  -0.024602480951  0.065917731996  0.012302720552  -0.001137678295  -0.000660573237  -0.000927861818
  7  Al  2.021783544804  2.026534582763  4.055768073042  -0.009059971377  -0.028232773470  0.015794500212  -0.000302632593  0.000878052211  0.002465684118
  8  Al  8.085008873067  4.061417961393  8.069897703882  -0.001258221151  -0.044604169408  0.040729729197  -0.001724379415  0.003851415708  -0.005487168900
  9  Al  0.005024810763  6.066858488223  2.021280240858  0.005760971074  -0.001003831760  0.032435485614  0.001261262535  -0.000517245278  -0.000408213208
  10  Al  2.032785785944  4.027516553164  2.020293366855  -0.018975674045  0.119116121060  0.045374234620  0.002447219431  -0.004556657307  -0.000649386663
  11  Al  2.026927506310  6.074237384516  0.018046214734  -0.038749219421  0.009451900609  0.044704272643  0.000970718150  0.001335288007  0.004539640466
  12  Al  8.082716226803  4.051778464738  4.031830392660  0.060954999194  0.010707560452  0.058226235681  -0.002268569344  0.001465236600  -0.003506260440
  13  Al  0.001420574497  6.063106516520  6.053970879158  0.002469392703  0.007457615474  0.030950315574  0.000357536012  -0.001452423066  -0.003727957578
  14  Al  2.020302321041  4.039784233194  6.075517689853  -0.037039828574  -0.047273983247  -0.034244719341  -0.000687060260  -0.001565554991  0.001634830000
  15  Al  2.038802697780  6.071394355585  4.029611413708  -0.069927014099  -0.025229049275  -0.019896694645  0.003928828098  0.000606647067  -0.004099854894
  16  Al  4.064516593246  0.019861279943  8.090992543916  -0.010968967625  -0.000135204644  0.053483417424  0.004642786710  0.004972286764  -0.000200196236
  17  Al  4.023695607790  2.005639750688  2.020336896965  0.078588904983  0.030113602138  -0.007434647467  -0.005533082951  -0.004324666911  -0.000663491848
  18  Al  6.083830193013  8.075217529892  2.003121785844  -0.072895868669  -0.011244220560  0.024931008094  0.003697759759  -0.004180802307  -0.004958215330
  19  Al  6.075352682767  2.042373300558  8.067885938032  -0.061886464833  -0.059566932791  -0.002661421471  0.001580477512  0.004828652452  -0.006012152858
  20  Al  4.051748079729  0.021130812819  4.047943476109  -0.028179157379  -0.068058114614  -0.014343168344  0.001438302239  0.005257343051  0.000492702996
  21  Al  4.050218899894  2.016964680968  6.072916960453  0.010825211023  0.023541177096  0.042633387942  0.001074041176  -0.001492958411  0.001020518089
  22  Al  6.069096082195  0.001384914411  6.071121104382  0.009076455233  0.072016704745  0.025449580603  0.000048491436  0.000381208997  0.000562771164
  23  Al  6.084308193992  2.026029063445  4.040254047238  -0.047899706516  -0.004722419558  0.077842866658  0.003829343167  0.000762923960  -0.001388089034
  24  Al  4.049623030568  4.043940516886  0.021597043772  0.029558559861  -0.021938718169  -0.060479042018  0.000933976717  -0.000512737909  0.005378179841
  25  Al  4.038872385405  6.088160277652  2.041199973869  0.012140515483  -0.039204526951  -0.035339760056  -0.001766242050  0.004796824101  0.004546211440
  26  Al  6.058912098664  4.060267173880  2.009671943351  -0.006722320662  0.019474836397  0.020475259286  -0.002508979098  0.003594297030  -0.003320603220
  27  Al  6.061208298133  6.077623250822  0.017516445382  0.011834779217  -0.033600334304  -0.028016893558  -0.001924621704  0.002161937483  0.004372269845
  28  Al  4.050061398268  4.054013081708  4.060615011693  -0.011544436463  -0.006014339789  -0.071279350463  0.001023876165  0.002015904071  0.003637003107
  29  Al  4.028974065682  6.074428363952  6.094403325202  0.094147746675  -0.014808666516  -0.064211127926  -0.004203991128  0.001371135481  0.006347656250
  30  Al  6.073531464971  4.028410094012  6.072459981480  -0.003342039216  0.013585981947  0.019522645445  0.001152844661  -0.004384190707  0.000896021935
  31  Al  6.085116603772  6.061688603424  4.044483856714  -0.037958923103  0.020001193699  -0.046534387380  0.004036313931  -0.001801641511  -0.000388704310


MDSTEP:  9
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.089763351689  0.000000000000  0.000000000000
  0.000000000000  8.089763351689  0.000000000000
  0.000000000000  0.000000000000  8.089763351689
VIRIAL (kbar)
  -80.430612406097  -0.020525897604  0.002506581177
  -0.020525897604  -80.469106154088  -0.089305670829
  0.002506581177  -0.089305670829  -80.116978156992
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.069919034258  8.083998161534  8.080710393447  0.056577803235  0.003156046174  -0.042762785481  -0.004387081216  -0.001280792764  -0.002037138760
  1  Al  8.080408820708  2.008984664960  2.004537432871  0.056492717073  0.032210965239  0.002011010205  -0.002051518324  -0.002978359620  -0.003984385953
  2  Al  2.011134728979  8.071356503117  2.012439108006  0.024880822574  -0.003788887488  0.045476997395  -0.002502605946  -0.004099292471  -0.002201707888
  3  Al  2.010377080334  2.016816199143  8.086587310955  0.013009376470  -0.007552670989  -0.075535864462  -0.002677346248  -0.001256179561  -0.000746907157
  4  Al  0.003079170231  8.075583263526  4.073672836334  0.046091826811  0.006211843794  -0.080387641035  0.000709842890  -0.003152179517  0.006366308444
  5  Al  0.002587026330  2.022180817571  6.078250794887  -0.007319133919  -0.010779768931  -0.029220096725  0.000571115950  -0.000063385534  0.002417988202
  6  Al  2.017375458471  8.086668602678  6.063129408400  -0.029164232492  0.073590076616  0.013533492030  -0.001142796217  -0.000648279958  -0.000925805048
  7  Al  2.021098188169  2.026437460251  4.055931136660  -0.011977555522  -0.030365330940  0.017882110489  -0.000304596201  0.000873052555  0.002469368269
  8  Al  8.082012645282  4.062269703202  8.065025938062  0.000327867584  -0.049588914818  0.046092108141  -0.001724933316  0.003844045113  -0.005480903902
  9  Al  0.005654376055  6.064998517358  2.020544081111  0.007591620205  -0.002591539270  0.037073504701  0.001262800706  -0.000517707942  -0.000402109739
  10  Al  2.033472014309  4.024180505054  2.019437458603  -0.023508799861  0.134647885972  0.052077596662  0.002444088866  -0.004535211753  -0.000640850618
  11  Al  2.026876143246  6.073302204116  0.020313279904  -0.045102498942  0.008845219093  0.049727199465  0.000963485828  0.001337288482  0.004549322942
  12  Al  8.079451288511  4.051442128045  4.029015685318  0.070382955683  0.011895745548  0.065471209491  -0.002257445490  0.001467657571  -0.003496157597
  13  Al  0.001599078715  6.060780323158  6.050510374738  0.003744078229  0.007089542473  0.034258651643  0.000358189167  -0.001451518861  -0.003723144795
  14  Al  2.019423890151  4.037933068339  6.074729990224  -0.042934399981  -0.052504333864  -0.039466812156  -0.000694398426  -0.001574903679  0.001628685613
  15  Al  2.040225868451  6.070094053468  4.026497001896  -0.080532511465  -0.029747736753  -0.021369843868  0.003916447769  0.000601897112  -0.004104663763
  16  Al  4.065764707738  0.022342186108  8.088759278375  -0.013693282753  -0.001284311226  0.060153423729  0.004641848996  0.004973517164  -0.000190090446
  17  Al  4.019870541883  2.002949379793  2.019471564374  0.087098413094  0.035434438421  -0.007546200260  -0.005519779007  -0.004319986698  -0.000665012426
  18  Al  6.084070041365  8.070995223236  2.000115072299  -0.080659245074  -0.012628948007  0.029668796344  0.003685039572  -0.004184078106  -0.004954686960
  19  Al  6.074536614912  2.044245906004  8.062750270743  -0.067925931493  -0.066540174419  -0.002164498945  0.001569302228  0.004818695140  -0.006014225531
  20  Al  4.051396545823  0.023750876949  4.047120763057  -0.033267784772  -0.077542146007  -0.016183004605  0.001433200800  0.005245759850  0.000490108102
  21  Al  4.049687381512  2.015686887746  6.071826225915  0.010811795006  0.028260485354  0.047144223550  0.001076268961  -0.001488734291  0.001028823817
  22  Al  6.067518840875  0.001578372916  6.069801201357  0.011604744023  0.080307875250  0.027782302081  0.000050353810  0.000394932625  0.000567684329
  23  Al  6.084614825347  2.025875560745  4.038497083692  -0.052425481159  -0.004051018243  0.087386521429  0.003821418266  0.000762347775  -0.001373694545
  24  Al  4.049022474184  4.042615798222  0.024277742245  0.031624501794  -0.024255409207  -0.068888531489  0.000939702139  -0.000517008160  0.005368081014
  25  Al  4.036923772705  6.088950023518  2.042932750674  0.012770446955  -0.045426494993  -0.039647806917  -0.001764496868  0.004790566539  0.004540747702
  26  Al  6.056058098267  4.060993523450  2.007482111495  -0.005417551801  0.022022664023  0.024750730850  -0.002510749436  0.003598988544  -0.003317465946
  27  Al  6.058646701055  6.077098579160  0.019696714517  0.014665317726  -0.039254963712  -0.032494152075  -0.001922777669  0.002156013542  0.004368052993
  28  Al  4.049503839058  4.053950742801  4.061358566444  -0.014339249755  -0.005914120093  -0.079749145263  0.001021841361  0.002015387826  0.003624492244
  29  Al  4.025812850817  6.073509972665  6.095965725149  0.104268925621  -0.018104858854  -0.072656250193  -0.004187397993  0.001368566923  0.006337151499
  30  Al  6.072504677005  4.025155327206  6.071306086298  -0.002437906237  0.016704334967  0.020048976284  0.001152642567  -0.004382679188  0.000899804685
  31  Al  6.085526951888  6.059188734930  4.043219912442  -0.041237646859  0.021544504890  -0.052466221014  0.004030334670  -0.001798418655  -0.000397662209


MDSTEP:  10
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.087384230230  0.000000000000  0.000000000000
  0.000000000000  8.087384230230  0.000000000000
  0.000000000000  0.000000000000  8.087384230230
VIRIAL (kbar)
  -79.746598318493  -0.024818926415  0.003040449067
  -0.024818926415  -79.794152802736  -0.110077420698
  0.003040449067  -0.110077420698  -79.359253101975
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.065354725763  8.080980476997  8.077313448648  0.061768884111  0.004382087339  -0.047508657139  -0.004377834776  -0.001280508587  -0.002045830226
  1  Al  8.077009210813  2.006906094196  2.001955804559  0.060987020916  0.034958569241  0.001525320509  -0.002041638534  -0.002973260310  -0.003985282471
  2  Al  2.009293076336  8.066932969004  2.010748442053  0.029069057396  -0.002379275486  0.049655462824  -0.002498543840  -0.004101091670  -0.002193871945
  3  Al  2.008447749344  2.015594642423  8.083832292144  0.015719649174  -0.009667519748  -0.083511544651  -0.002675592397  -0.001258101606  -0.000761355379
  4  Al  0.003435247901  8.071632492197  4.075654385941  0.049470746723  0.007567893264  -0.089995052164  0.000718603468  -0.003151906848  0.006353011723
  5  Al  0.002871497814  2.021553938967  6.077670934167  -0.009538637147  -0.013543871741  -0.031929302808  0.000569782477  -0.000065579674  0.002413256612
  6  Al  2.016209463350  8.083969538704  6.060884000448  -0.030537015283  0.082349403436  0.016502390543  -0.001148482106  -0.000634534273  -0.000923401237
  7  Al  2.020350968481  2.026276675882  4.055973815972  -0.011778950077  -0.034730514985  0.019711610763  -0.000306813048  0.000867497875  0.002473481224
  8  Al  8.078773346868  4.062994844810  8.059915685835  -0.001241643727  -0.055719357934  0.051745896788  -0.001725540030  0.003835799193  -0.005473824125
  9  Al  0.006284455994  6.062955888626  2.019750459607  0.006277456414  -0.001875611658  0.040347199825  0.001264425134  -0.000518264935  -0.000395309719
  10  Al  2.034094989711  4.020735432830  2.018525462082  -0.025274461165  0.148771463119  0.057518013579  0.002440470912  -0.004511250775  -0.000631246411
  11  Al  2.026759788080  6.072185147393  0.022584201392  -0.048423281752  0.010538397695  0.054406530429  0.000955416670  0.001339428653  0.004560018499
  12  Al  8.075949616912  4.050985002101  4.026085629100  0.076943081079  0.012061920019  0.072571913404  -0.002244959734  0.001470246400  -0.003484878874
  13  Al  0.001777871264  6.058272459814  6.046870927251  0.001846981714  0.008999527483  0.038945853607  0.000358798100  -0.001450522084  -0.003717732567
  14  Al  2.018480877204  4.035955748729  6.073756053691  -0.045832139651  -0.058747651401  -0.043386449400  -0.000702546650  -0.001585330387  0.001621773181
  15  Al  2.041580492216  6.068608517850  4.023259550584  -0.088338174524  -0.032058380710  -0.022714684524  0.003902540587  0.000596554045  -0.004109854808
  16  Al  4.066889329743  0.024822329236  8.086288094942  -0.013544173687  -0.001516953410  0.066920158783  0.004640826437  0.004974780464  -0.000178786287
  17  Al  4.015932325931  2.000201911087  2.018544812087  0.098837201739  0.038392250311  -0.009140913466  -0.005504834000  -0.004314700498  -0.000666706877
  18  Al  6.084119699173  8.066529007251  1.997050827716  -0.091591426389  -0.012626223764  0.033252345164  0.003670759743  -0.004187609735  -0.004950569038
  19  Al  6.073531771482  2.046051098841  8.057371868870  -0.076805415271  -0.075941208989  -0.000872742492  0.001556839022  0.004807422115  -0.006016327625
  20  Al  4.050920186315  0.026363319629  4.046174875855  -0.035214060859  -0.086056430876  -0.018268226811  0.001427513858  0.005232728660  0.000487176890
  21  Al  4.049035027884  2.014350985793  6.070557081851  0.013678348316  0.030621231305  0.053082926368  0.001078786275  -0.001483922627  0.001038098555
  22  Al  6.065760137727  0.001778965247  6.068301216580  0.011143742156  0.089509790202  0.031440018985  0.000052403144  0.000410236717  0.000573152352
  23  Al  6.084733774485  2.025660765023  4.036626455438  -0.060135555585  -0.005741683050  0.096620487829  0.003812516968  0.000761704214  -0.001357660053
  24  Al  4.048302962526  4.041167314430  0.026951577627  0.036765967306  -0.027799645363  -0.077290696057  0.000946103142  -0.000521819913  0.005356644569
  25  Al  4.034854870176  6.089552587108  2.044600557179  0.016934432396  -0.049082581445  -0.045428057514  -0.001762377922  0.004783574295  0.004534522873
  26  Al  6.053021446740  4.061599712008  2.005234095178  -0.006965607305  0.023206230390  0.027613571448  -0.002512620836  0.003604128000  -0.003313793626
  27  Al  6.055904173178  6.076387620814  0.021873507174  0.014412650975  -0.042638435931  -0.037119139149  -0.001920762952  0.002149347434  0.004363158154
  28  Al  4.048823201393  4.053765949632  4.061972851066  -0.014051761858  -0.006877146920  -0.088279556861  0.001019613853  0.002014857537  0.003610571485
  29  Al  4.022539848566  6.072407289657  6.097338304895  0.117473821452  -0.018900242581  -0.079537304553  -0.004168845835  0.001365674735  0.006325472248
  30  Al  6.071295027125  4.021780963705  6.069971374340  -0.004426021620  0.018992483643  0.021631748114  0.001152379669  -0.004380821371  0.000903805349
  31  Al  6.085750591526  6.056508534920  4.041829663435  -0.047630715968  0.025551488544  -0.058509121372  0.004023615390  -0.001794755044  -0.000407705870


MDSTEP:  11
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.084764429953  0.000000000000  0.000000000000
  0.000000000000  8.084764429953  0.000000000000
  0.000000000000  0.000000000000  8.084764429953
VIRIAL (kbar)
  -78.991001432298  -0.029972912807  0.003973020435
  -0.029972912807  -79.047390535462  -0.133411796500
  0.003973020435  -0.133411796500  -78.520665260334
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.060555892417  8.077722689042  8.073671866461  0.070443547270  0.004582053042  -0.052345937703  -0.004367481916  -0.001280136692  -0.002055445055
  1  Al  8.073374671970  2.004770907504  1.999314713277  0.069117579688  0.039904976546  0.002750911265  -0.002030690321  -0.002967564007  -0.003986237228
  2  Al  2.007394212780  8.062269129811  2.009002363920  0.029899651873  -0.001793359695  0.055230123686  -0.002494109488  -0.004102840731  -0.002185229748
  3  Al  2.006460038222  2.014312230972  8.080829230284  0.015015209119  -0.009588126351  -0.091562473255  -0.002673741957  -0.001260245445  -0.000777264941
  4  Al  0.003795649842  8.067442170328  4.077506633878  0.056212991012  0.008389178816  -0.099880339539  0.000728294204  -0.003151537562  0.006338165669
  5  Al  0.003155034185  2.020865688194  6.076907361881  -0.008428348100  -0.014248688325  -0.036245350026  0.000568367141  -0.000068086728  0.002407970503
  6  Al  2.014980730090  8.081037256022  6.058459692184  -0.035205474012  0.090271899103  0.018142767819  -0.001154745754  -0.000619312358  -0.000920613278
  7  Al  2.019542568900  2.026052489787  4.055897565943  -0.015124144866  -0.037147307610  0.021600800018  -0.000309321508  0.000861362028  0.002478005028
  8  Al  8.075293505559  4.063594112079  8.054570168651  0.000745973642  -0.060859826482  0.057469771482  -0.001726163291  0.003826662309  -0.005465895222
  9  Al  0.006914916944  6.060732657148  2.018900335608  0.008296001031  -0.003310222761  0.044710557294  0.001266152440  -0.000518902507  -0.000387836972
  10  Al  2.034655184580  4.017183979944  2.017558533293  -0.030537365085  0.164070748185  0.064175545153  0.002436299346  -0.004484791796  -0.000620577061
  11  Al  2.026578793171  6.070888333106  0.024859339312  -0.054950653235  0.009855829714  0.059130484282  0.000946494118  0.001341701583  0.004571700274
  12  Al  8.072214473247  4.050408405985  4.023042226417  0.086872479905  0.012563794228  0.079602290469  -0.002231065496  0.001472941577  -0.003472441549
  13  Al  0.001956777962  6.055585100282  6.043054987779  0.003167356618  0.008849250860  0.042659634674  0.000359366835  -0.001449412817  -0.003711683218
  14  Al  2.017473693570  4.033853059409  6.072597493567  -0.051739949314  -0.064053138853  -0.048526663621  -0.000711506701  -0.001596842430  0.001614098961
  15  Al  2.042866482782  6.066939518997  4.019900315041  -0.099385342932  -0.036395273042  -0.023846743322  0.003887064776  0.000590633462  -0.004115396973
  16  Al  4.067891736266  0.027301624952  8.083582246914  -0.016542241532  -0.002878733493  0.073650145828  0.004639693339  0.004976056530  -0.000166277280
  17  Al  4.011883402829  1.997398325677  2.017557167549  0.107193543478  0.043673570594  -0.009284650774  -0.005488258851  -0.004308810279  -0.000668578074
  18  Al  6.083980126594  8.061821581676  1.993930097265  -0.099107765690  -0.013521125355  0.038280657034  0.003654940099  -0.004191352678  -0.004945833945
  19  Al  6.072339323173  2.047788638600  8.051753570776  -0.082471270665  -0.083550859704  0.000216913323  0.001543119751  0.004794774198  -0.006018404821
  20  Al  4.050320131926  0.028967312720  4.045106944838  -0.040642246868  -0.095398113406  -0.020165054856  0.001421210170  0.005218259680  0.000483903860
  21  Al  4.048263404502  2.012957866657  6.069112030466  0.013469595780  0.035310895206  0.057548165451  0.001081575636  -0.001478525228  0.001048338850
  22  Al  6.063821915378  0.001987508907  6.066623454255  0.013919761896  0.098038647236  0.033909741927  0.000054661761  0.000427143865  0.000579187853
  23  Al  6.084666287838  2.025385176893  4.034644328440  -0.064511894597  -0.005240319025  0.106151679123  0.003802650854  0.000760977828  -0.001339984838
  24  Al  4.047466266185  4.039596078294  0.029617730228  0.038489950529  -0.030233536986  -0.086037373685  0.000953149525  -0.000527183985  0.005343837930
  25  Al  4.032667395614  6.089969564878  2.046203480131  0.017606735140  -0.055024742910  -0.050352259311  -0.001759880748  0.004775870564  0.004527480135
  26  Al  6.049804022287  4.062087122330  2.002928854215  -0.005141092583  0.025129880108  0.032141603166  -0.002514546365  0.003609659169  -0.003309562481
  27  Al  6.052982700976  6.075492030285  0.024046354081  0.017375178133  -0.048093364813  -0.042053915293  -0.001918565107  0.002141955849  0.004357542848
  28  Al  4.048020820925  4.053459913350  4.062458379708  -0.016999724898  -0.007073052212  -0.096582881364  0.001017179500  0.002014286201  0.003595253536
  29  Al  4.019157615840  6.071122210843  6.098522352851  0.127136952253  -0.022082447323  -0.087587590649  -0.004148372840  0.001362468499  0.006312651172
  30  Al  6.069904307362  4.018288587072  6.068457960074  -0.003418463650  0.022272786814  0.021640218042  0.001152064898  -0.004378601489  0.000907977719
  31  Al  6.085788884177  6.053650369076  4.040313897606  -0.050756529340  0.027578727896  -0.064540776637  0.004016168140  -0.001790606607  -0.000418845078


MDSTEP:  12
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.081906873125  0.000000000000  0.000000000000
  0.000000000000  8.081906873125  0.000000000000
  0.000000000000  0.000000000000  8.081906873125
VIRIAL (kbar)
  -78.162024508015  -0.035192413135  0.004670975306
  -0.035192413135  -78.229361540191  -0.158495671116
  0.004670975306  -0.158495671116  -77.602466463857
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.055526285510  8.074227753486  8.069788161813  0.075806144759  0.005665133597  -0.057069991202  -0.004356005114  -0.001279689465  -0.002065981652
  1  Al  8.069508878226  2.002580314010  1.996615047949  0.073336924119  0.042886084019  0.002590878236  -0.002018696686  -0.002961248481  -0.003987220114
  2  Al  2.005438973687  8.057368010401  2.007202129340  0.034424297574  0.000008391194  0.059657452631  -0.002489271742  -0.004104503584  -0.002175757650
  3  Al  2.004414647296  2.012969717869  8.077580337328  0.018000784390  -0.011612968620  -0.099370475851  -0.002671769448  -0.001262602899  -0.000794622120
  4  Al  0.004160969941  8.063015332188  4.079230079879  0.059338361823  0.009640173640  -0.109889114074  0.000738893146  -0.003151080154  0.006321731248
  5  Al  0.003437727736  2.020116733628  6.075961854377  -0.010654007621  -0.016990739990  -0.039378058900  0.000566869125  -0.000070904969  0.002402090847
  6  Al  2.013689586002  8.077875392826  6.055858833245  -0.036033567684  0.098664186809  0.021084396845  -0.001161538730  -0.000602645424  -0.000917443061
  7  Al  2.018673424708  2.025765405897  4.055703986290  -0.014595686951  -0.041345127162  0.023397141994  -0.000312092260  0.000854659171  0.002482936470
  8  Al  8.071576242440  4.064068459698  8.048992887436  -0.000926247478  -0.066804191648  0.063281856842  -0.001726811863  0.003816649205  -0.005457100796
  9  Al  0.007545923871  6.058330892718  2.017994834549  0.006508887068  -0.002700920201  0.048191181440  0.001267940137  -0.000519630120  -0.000379672202
  10  Al  2.035152829139  4.013529030309  2.016538005635  -0.032217662044  0.178309568401  0.070045872977  0.002431580705  -0.004455820826  -0.000608802938
  11  Al  2.026333293912  6.069413875523  0.027139060082  -0.057883392071  0.011234727167  0.063214937007  0.000936751775  0.001344078998  0.004584314905
  12  Al  8.068249694849  4.049713827679  4.019887609482  0.093412232116  0.012693104991  0.086814227788  -0.002215762664  0.001475739614  -0.003458833581
  13  Al  0.002135912453  6.052720440574  6.039065125498  0.000804394706  0.010520929355  0.047201232495  0.000359853641  -0.001448211873  -0.003705008180
  14  Al  2.016402550324  4.031626006692  6.071256022219  -0.054132779811  -0.069848169475  -0.052885237688  -0.000721234072  -0.001609400375  0.001605622542
  15  Al  2.044083535445  6.065088853634  4.016420705544  -0.106942276109  -0.038855325320  -0.024456072266  0.003870040045  0.000584121284  -0.004121223850
  16  Al  4.068773063617  0.029779890608  8.080645260314  -0.016284196155  -0.003723816147  0.080328396786  0.004638458088  0.004977289346  -0.000152570109
  17  Al  4.007726048028  1.994539879050  2.016509356651  0.119436158919  0.046841805680  -0.010572550329  -0.005470005461  -0.004302295501  -0.000670598580
  18  Al  6.083652798549  8.056875840063  1.990754121609  -0.110627557720  -0.013167720879  0.042848090573  0.003637525617  -0.004195274758  -0.004940391879
  19  Al  6.070960936202  2.049458516792  8.045898469803  -0.091685898546  -0.093262801154  0.002249437367  0.001528112760  0.004780721055  -0.006020389386
  20  Al  4.049597341082  0.031561957131  4.043918255624  -0.042317727937  -0.104508054228  -0.022292574817  0.001414312970  0.005202296866  0.000480284782
  21  Al  4.047373940615  2.011508698284  6.067493649871  0.016523777312  0.038021022127  0.063211353895  0.001084653794  -0.001472509926  0.001059520745
  22  Al  6.061706613044  0.002204761229  6.064770319817  0.012886184539  0.106715171686  0.037166917442  0.000057078660  0.000445608566  0.000585755430
  23  Al  6.084414119266  2.025049562424  4.032553032410  -0.072792574201  -0.006961647764  0.115047511837  0.003791766946  0.000760165597  -0.001320697126
  24  Al  4.046513988786  4.037903339784  0.032275352621  0.043794882037  -0.033703563304  -0.094943338087  0.000960856305  -0.000533094119  0.005329613359
  25  Al  4.030362891815  6.090202558807  2.047741754420  0.022508522464  -0.058757340548  -0.056046487442  -0.001756938622  0.004767446505  0.004519625254
  26  Al  6.046408210492  4.062457343365  2.000567564513  -0.006721256611  0.026183494007  0.035767963531  -0.002516528354  0.003615569939  -0.003304702899
  27  Al  6.049884764489  6.074413485349  0.026214760700  0.016621399867  -0.051801217297  -0.047430170745  -0.001916228227  0.002133808504  0.004351138138
  28  Al  4.047097882780  4.053034052915  4.062815827105  -0.016424541834  -0.007588814338  -0.104922861517  0.001014563534  0.002013713219  0.003578553039
  29  Al  4.015668528535  6.069656626742  6.099519263692  0.140663599456  -0.022981980796  -0.094792243580  -0.004125947207  0.001358938231  0.006298656464
  30  Al  6.068334785386  4.014680005308  6.066768024861  -0.005955255506  0.025556891692  0.022378059688  0.001151648848  -0.004375929051  0.000912246319
  31  Al  6.085643692895  6.050616632273  4.038673541930  -0.057871922869  0.031673714504  -0.070427732877  0.004007926547  -0.001785964575  -0.000431066838


MDSTEP:  13
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.078814757022  0.000000000000  0.000000000000
  0.000000000000  8.078814757022  0.000000000000
  0.000000000000  0.000000000000  8.078814757022
VIRIAL (kbar)
  -77.261075737975  -0.041045495102  0.005601528872
  -0.041045495102  -77.338705738939  -0.185934082350
  0.005601528872  -0.185934082350  -76.602935746758
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.050269632506  8.070498979333  8.065665133671  0.084929556206  0.006224641153  -0.062097954915  -0.004343361846  -0.001279134326  -0.002077457446
  1  Al  8.065415427615  2.000335414053  1.993857640020  0.081465086200  0.047747383101  0.003708775185  -0.002005656130  -0.002954319859  -0.003988239660
  2  Al  2.003428591881  8.052233016924  2.005348958802  0.035148803760  0.001588432948  0.064917473516  -0.002484038910  -0.004105990202  -0.002165482260
  3  Al  2.002312673914  2.011567736107  8.074088121711  0.017232706999  -0.011867870909  -0.107477016375  -0.002669679609  -0.001265203713  -0.000813433257
  4  Al  0.004531479037  8.058355323590  4.080825354117  0.066151472840  0.011097310141  -0.119980063801  0.000750407399  -0.003150476782  0.006303686622
  5  Al  0.003719372891  2.019307630262  6.074836501547  -0.009213349737  -0.018113951998  -0.043651712213  0.000565317680  -0.000074072074  0.002395620150
  6  Al  2.012336769879  8.074487903731  6.053084095262  -0.040563580363  0.106933028369  0.023393771327  -0.001168848925  -0.000584500769  -0.000913830160
  7  Al  2.017744386091  2.025415838271  4.055394807344  -0.018160752983  -0.044018552724  0.025446034205  -0.000315145137  0.000847365486  0.002488289555
  8  Al  8.067624625399  4.064418910397  8.043187622648  0.001259101043  -0.072287069470  0.069226628162  -0.001727467608  0.003805727206  -0.005447418634
  9  Al  0.008177302246  6.055753053813  2.017035071363  0.008483167316  -0.003973422000  0.052085398799  0.001269784027  -0.000520433202  -0.000370856490
  10  Al  2.035588544149  4.009773507500  2.015465210362  -0.037967367694  0.193265698513  0.076515504082  0.002426270254  -0.004424364536  -0.000595939537
  11  Al  2.026023816492  6.067764280221  0.029423675497  -0.064466685833  0.010642942767  0.067235120802  0.000926183465  0.001346568805  0.004597799238
  12  Al  8.064059089502  4.048902860200  4.016624062006  0.103693753825  0.012389295486  0.093964931780  -0.002199017643  0.001478568245  -0.003444041929
  13  Al  0.002315059296  6.049681044963  6.034904187553  0.001880349810  0.010747031438  0.051514661620  0.000360236557  -0.001446885065  -0.003697652108
  14  Al  2.015268041234  4.029275689842  6.069733629220  -0.059802612738  -0.075462478418  -0.057855475523  -0.000731708151  -0.001623032519  0.001596357835
  15  Al  2.045231728803  6.063058692961  4.012822314237  -0.118270793526  -0.042976974600  -0.024843862047  0.003851438485  0.000577035966  -0.004127268143
  16  Al  4.069534879477  0.032256992688  8.077480931271  -0.019510601490  -0.005122244415  0.086854090236  0.004637098793  0.004978474236  -0.000137681715
  17  Al  4.003463018417  1.991627703894  2.015402071376  0.128042212213  0.051915778393  -0.011010369134  -0.005450048156  -0.004295172811  -0.000672794674
  18  Al  6.083139040705  8.051695060127  1.987524165953  -0.118282049344  -0.013058322850  0.048094110548  0.003618501221  -0.004199285248  -0.004934221328
  19  Al  6.069398166893  2.051060608761  8.039810015046  -0.097245943730  -0.101634086871  0.004074713305  0.001511825664  0.004765191799  -0.006022213866
  20  Al  4.048753246138  0.034146377793  4.042610211044  -0.047826919177  -0.113745262529  -0.024043045222  0.001406813955  0.005184846505  0.000476332251
  21  Al  4.046368495279  2.010004539449  6.065704832006  0.016015357035  0.042714354782  0.067961853836  0.001087993931  -0.001465875364  0.001071670471
  22  Al  6.059416535623  0.002431492763  6.062744495610  0.015632792596  0.115216865001  0.039864293626  0.000059651401  0.000465629966  0.000592875864
  23  Al  6.083978882236  2.024654558193  4.030354976714  -0.077171371162  -0.006795688206  0.124386623762  0.003779862866  0.000759237226  -0.001299811925
  24  Al  4.045448192060  4.036090393504  0.034923586492  0.045319310447  -0.036577416940  -0.104391296614  0.000969206071  -0.000539590063  0.005313905192
  25  Al  4.027943416107  6.090253577602  2.049215617634  0.023568913421  -0.064407455768  -0.061680456203  -0.001753515982  0.004758326050  0.004510892655
  26  Al  6.042836297347  4.062712025852  1.998151388094  -0.004513026211  0.027310137743  0.040424762462  -0.002518531899  0.003621788485  -0.003299201869
  27  Al  6.046612716611  6.073154027601  0.028378195694  0.019555405751  -0.057106844601  -0.053254128212  -0.001913754107  0.002124917346  0.004343862557
  28  Al  4.046056025190  4.052489897403  4.063046004570  -0.019412344827  -0.008121249139  -0.112873582113  0.001011761866  0.002013107873  0.003560498937
  29  Al  4.012075442692  6.068012839051  6.100330717876  0.150346469147  -0.025898468734  -0.102459825670  -0.004101563865  0.001355106956  0.006283519203
  30  Al  6.066588618950  4.010957161624  6.064904022002  -0.005101173016  0.029188499253  0.022084923226  0.001151117395  -0.004372771032  0.000916584209
  31  Al  6.085316732816  6.047410109374  4.036909673730  -0.061215886780  0.034185961084  -0.076134882433  0.003998869131  -0.001780784588  -0.000444343156


MDSTEP:  14
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.075491554250  0.000000000000  0.000000000000
  0.000000000000  8.075491554250  0.000000000000
  0.000000000000  0.000000000000  8.075491554250
VIRIAL (kbar)
  -76.285888679297  -0.047127688874  0.006775332320
  -0.047127688874  -76.376834050114  -0.215269694126
  0.006775332320  -0.215269694126  -75.523774451116
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.044790269426  8.066539903280  8.061305827977  0.089526541603  0.007247326060  -0.066460821902  -0.004329617957  -0.001278476192  -0.002089840554
  1  Al  8.061098541471  1.998037542886  1.991043501442  0.084513482783  0.050832471743  0.004095873528  -0.001991671507  -0.002946767234  -0.003989245748
  2  Al  2.001364027609  8.046867808405  2.003444214532  0.040953683645  0.003922382848  0.069989437131  -0.002478295249  -0.004107251709  -0.002154344300
  3  Al  2.000154946922  2.010107144961  8.070355340241  0.021525390878  -0.013951971227  -0.114671575677  -0.002667354538  -0.001268053037  -0.000833644962
  4  Al  0.004907777981  8.053465782056  4.082293221412  0.068096476861  0.012135141931  -0.131023904149  0.000762732244  -0.003149745409  0.006283935490
  5  Al  0.004000092225  2.018439146642  6.073533499427  -0.012562511456  -0.020872995503  -0.047349630276  0.000563612048  -0.000077589871  0.002388506481
  6  Al  2.010922757737  8.070879007027  6.050138299208  -0.039740733448  0.114827384434  0.026164175016  -0.001176528996  -0.000564921038  -0.000909789201
  7  Al  2.016756005946  2.025004406729  4.054971921218  -0.016238472395  -0.048222948397  0.026658514276  -0.000318355706  0.000839479435  0.002494011776
  8  Al  8.063442341408  4.064646668441  8.037158438277  -0.001576917581  -0.078100240798  0.075674496280  -0.001728234083  0.003793905806  -0.005436789209
  9  Al  0.008809214601  6.053001636846  2.016022266432  0.005342900262  -0.003356006490  0.056139919536  0.001271562845  -0.000521310941  -0.000361337605
  10  Al  2.035962657044  4.005920533590  2.014341600583  -0.038603106477  0.207596499376  0.082994171419  0.002420460065  -0.004390410387  -0.000581931054
  11  Al  2.025650630320  6.065942083942  0.031713494408  -0.065929969301  0.011800760868  0.070951739728  0.000914919317  0.001349151004  0.004612120084
  12  Al  8.059647073185  4.047977196427  4.013253997458  0.109313668228  0.012506694134  0.100974059201  -0.002180910389  0.001481426119  -0.003428082259
  13  Al  0.002494310715  6.046469554032  6.030575204693  -0.001827122791  0.012295917610  0.055700731261  0.000360395227  -0.001445442780  -0.003689644895
  14  Al  2.014070535608  4.026803361078  6.068032457115  -0.060588678829  -0.080690404339  -0.062913774585  -0.000742785966  -0.001637688895  0.001586240884
  15  Al  2.046310875861  6.060851266603  4.009106888146  -0.124632781603  -0.045420379443  -0.024985435179  0.003831363959  0.000569378155  -0.004133487165
  16  Al  4.070178580711  0.034732751417  8.074093317321  -0.018304274305  -0.006572100023  0.093871037772  0.004635698639  0.004979555590  -0.000121580390
  17  Al  3.999096879645  1.988663169218  2.014236148131  0.141786412936  0.055240198868  -0.011740747701  -0.005428249039  -0.004287426201  -0.000675116492
  18  Al  6.082440733384  8.046282770439  1.984241621721  -0.131381170579  -0.012346136263  0.053891020665  0.003597722737  -0.004203351009  -0.004927210119
  19  Al  6.067653105989  2.052594981835  8.033491908526  -0.107625710770  -0.111843649497  0.007373912965  0.001494152296  0.004748138883  -0.006023763127
  20  Al  4.047789075395  0.036719691854  4.041184385665  -0.048288415992  -0.123537130136  -0.026612358825  0.001398820536  0.005165844312  0.000472006239
  21  Al  4.045248747386  2.008446694018  6.063748594247  0.020132733548  0.045577194953  0.072985418837  0.001091691078  -0.001458606768  0.001084731617
  22  Al  6.056954532460  0.002668458462  6.060548820721  0.013004644637  0.123341824031  0.042429288033  0.000062237601  0.000487160438  0.000600487728
  23  Al  6.083362748153  2.024201038836  4.028052746887  -0.087097717779  -0.008584672815  0.132656715774  0.003766789129  0.000758186322  -0.001277382868
  24  Al  4.044270737945  4.034158724761  0.037561528729  0.051659320099  -0.039821021301  -0.113368042917  0.000978291834  -0.000546652027  0.005296703859
  25  Al  4.025410818888  6.090124668261  2.050625384626  0.030223633692  -0.068029566733  -0.067136388358  -0.001749455126  0.004748516731  0.004501301331
  26  Al  6.039091112422  4.062852966987  1.995681645722  -0.007200193477  0.028052393903  0.044960559491  -0.002520655314  0.003628286315  -0.003292976429
  27  Al  6.043169445143  6.071715763791  0.030536090614  0.017247652598  -0.061106260731  -0.059097021867  -0.001911280884  0.002115254788  0.004335672205
  28  Al  4.044896706221  4.051829113378  4.063149898439  -0.017615344429  -0.008295348730  -0.121382961194  0.001008883183  0.002012500024  0.003541073312
  29  Al  4.008381005398  6.066193176584  6.100958565259  0.165090584378  -0.026864230996  -0.110279472516  -0.004075110378  0.001350967967  0.006267181020
  30  Al  6.064668476199  4.007122165090  6.062868519660  -0.009087435916  0.033593296864  0.021682167892  0.001150340485  -0.004369025443  0.000920889400
  31  Al  6.084810265454  6.044033649022  4.035023523961  -0.070116569021  0.038645575799  -0.082171103661  0.003988834103  -0.001775032946  -0.000458688466


MDSTEP:  15
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.071941010225  0.000000000000  0.000000000000
  0.000000000000  8.071941010225  0.000000000000
  0.000000000000  0.000000000000  8.071941010225
VIRIAL (kbar)
  -75.238978777587  -0.053701858749  0.007696224051
  -0.053701858749  -75.342222608735  -0.247097247478
  0.007696224051  -0.247097247478  -74.363764394730
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.039092397225  8.062354375334  8.056713621636  0.098517404841  0.007602888987  -0.071320378680  -0.004314782512  -0.001277732778  -0.002103116333
  1  Al  8.056562258224  1.995687943003  1.988173644256  0.092224805918  0.055538732947  0.005321492827  -0.001976778161  -0.002938602739  -0.003990227433
  2  Al  1.999246761690  8.041276381215  2.001489308482  0.042009630777  0.006131769341  0.075096009909  -0.002472009707  -0.004108230402  -0.002142355712
  3  Al  1.997942813898  2.008588707526  8.066385103751  0.021128204110  -0.014636379480  -0.122449885541  -0.002664759913  -0.001271189121  -0.000855229419
  4  Al  0.005290032787  8.048350578216  4.083634502469  0.074402797468  0.013609972877  -0.141504382853  0.000775823191  -0.003148883272  0.006262438944
  5  Al  0.004279580528  2.017511973261  6.072055301895  -0.011430489323  -0.022508195065  -0.051829261968  0.000561724270  -0.000081504477  0.002380729897
  6  Al  2.009448571619  8.067053159675  6.047024511184  -0.043432450594  0.122706341450  0.028820460251  -0.001184504198  -0.000543939106  -0.000905288423
  7  Al  2.015709395758  2.024531663120  4.054437283327  -0.019345880636  -0.051122142943  0.028434183652  -0.000321683193  0.000830979814  0.002500078349
  8  Al  8.059032900140  4.064753047792  8.030909712146  0.000337260677  -0.083338367588  0.081873442198  -0.001729135038  0.003781204489  -0.005425186879
  9  Al  0.009441367099  6.050079511443  2.014957722290  0.006489783511  -0.004223700241  0.059742401672  0.001273202246  -0.000522227047  -0.000351140634
  10  Al  2.036276022420  4.001973307621  2.013168697821  -0.044118292233  0.222499826606  0.089665606872  0.002414169714  -0.004353958478  -0.000566757909
  11  Al  2.025214531526  6.063950185354  0.034008801564  -0.071849431909  0.011278798491  0.074189692274  0.000903017400  0.001351831570  0.004627207136
  12  Al  8.055017916168  4.046938704297  4.009779950436  0.119399375426  0.011974485356  0.108061144865  -0.002161455990  0.001484292490  -0.003410957623
  13  Al  0.002673331546  6.043088930191  6.026081398198  -0.001317951945  0.012801607287  0.060321349045  0.000360278759  -0.001443859387  -0.003680957046
  14  Al  2.012810907189  4.024210442613  6.066154846431  -0.065619354663  -0.085699864532  -0.067905471466  -0.000754411037  -0.001653316177  0.001575268253
  15  Al  2.047321304780  6.058469159327  4.005276329902  -0.135686660385  -0.049341922299  -0.024505949611  0.003809837871  0.000561164842  -0.004139802397
  16  Al  4.070706100140  0.037206985898  8.070486792422  -0.021163596919  -0.008879452316  0.100124897526  0.004634288758  0.004980450444  -0.000104288911
  17  Al  3.994630789018  1.985647552718  2.013012464929  0.151009159509  0.060165849056  -0.012115739196  -0.005404548999  -0.004279066728  -0.000677558379
  18  Al  6.081559477565  8.040642823375  1.980907994247  -0.139628240202  -0.011890008611  0.059663074702  0.003575133939  -0.004207439865  -0.004919308740
  19  Al  6.065727619237  2.054061610756  8.026948252644  -0.113713752558  -0.121035963662  0.010075200895  0.001475043272  0.004729485583  -0.006024956746
  20  Al  4.046706645908  0.039280970752  4.039642417640  -0.053328788116  -0.133084467778  -0.028283243001  0.001390373459  0.005145258974  0.000467313279
  21  Al  4.044016926488  2.006836369298  6.061628183575  0.020176717820  0.050089244253  0.077615263012  0.001095794632  -0.001450719140  0.001098694200
  22  Al  6.054323177013  0.002916379650  6.058186327325  0.015003552254  0.131422415648  0.045197550190  0.000064770539  0.000510164103  0.000608597824
  23  Al  6.082567599892  2.023689772965  4.025648968104  -0.092175200243  -0.008900396035  0.141774739850  0.003752480676  0.000756969436  -0.001253427270
  24  Al  4.042984055858  4.032109921918  0.040188322286  0.053566599599  -0.042422764369  -0.123291294478  0.000988148357  -0.000554256159  0.005277963367
  25  Al  4.022767585815  6.089818267147  2.051971457645  0.032434514460  -0.073472978102  -0.073369250137  -0.001744652059  0.004738034515  0.004490795238
  26  Al  6.035175250507  4.062882068460  1.993159713161  -0.005123889787  0.029073561489  0.049999509028  -0.002522909710  0.003635053264  -0.003285990592
  27  Al  6.039557572504  6.070101123664  0.032687878461  0.019423411624  -0.066142678386  -0.065583054187  -0.001908875557  0.002104843264  0.004326505508
  28  Al  4.043621948848  4.051053537265  4.063128584248  -0.020143110681  -0.008618568057  -0.129192570825  0.001005968068  0.002011907650  0.003520285807
  29  Al  4.004588449407  6.064200348157  6.101404851318  0.175204369754  -0.029331306832  -0.117535642299  -0.004046544336  0.001346560606  0.006249675053
  30  Al  6.062576797978  4.003177327193  6.060664281387  -0.009026772218  0.038113653987  0.020789666362  0.001149246625  -0.004364610836  0.000925108227
  31  Al  6.084126263086  6.040490477241  4.033016430432  -0.074223725338  0.041640008519  -0.087879560889  0.003977750829  -0.001768665332  -0.000474104050


MDSTEP:  16
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.068167141616  0.000000000000  0.000000000000
  0.000000000000  8.068167141616  0.000000000000
  0.000000000000  0.000000000000  8.068167141616
VIRIAL (kbar)
  -74.117534941187  -0.060089098317  0.009336026236
  -0.060089098317  -74.235229051298  -0.280523387112
  0.009336026236  -0.280523387112  -73.123170328131
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.033180877470  8.057946456142  8.051892116994  0.105663182985  0.007767672586  -0.075161923331  -0.004298624627  -0.001276980243  -0.002117238594
  1  Al  8.051811302730  1.993288067322  1.985249220282  0.097604820093  0.059514441184  0.006525078743  -0.001960765565  -0.002929744885  -0.003991110284
  2  Al  1.997077916258  8.035462988769  1.999485721741  0.045676367323  0.008480671702  0.080588290934  -0.002465371947  -0.004108923363  -0.002129477019
  3  Al  1.995677268918  2.007013378922  8.062180741783  0.023413842785  -0.016073118794  -0.128802032457  -0.002662073949  -0.001274553929  -0.000878112898
  4  Al  0.005678799778  8.043013890636  4.084850208983  0.078448767749  0.014453613920  -0.153634948642  0.000789868958  -0.003147906469  0.006239095426
  5  Al  0.004557933650  2.016526968886  6.070404498280  -0.012666576252  -0.024713248105  -0.056376802773  0.000559842896  -0.000085766739  0.002372212783
  6  Al  2.007914896998  8.063015087821  6.043745989793  -0.044283074031  0.129654355790  0.031520360328  -0.001192924352  -0.000521637504  -0.000900333320
  7  Al  2.014605284978  2.023998344527  4.053793036866  -0.019691238043  -0.054718057787  0.028902730105  -0.000325330507  0.000821919940  0.002506422352
  8  Al  8.054400505892  4.064739552464  8.024446066839  -0.000112504139  -0.088244521453  0.089312285767  -0.001729956571  0.003767701813  -0.005412519902
  9  Al  0.010073850102  6.046989617517  2.013842768472  0.005398603839  -0.004421938733  0.063777077204  0.001274885031  -0.000523254335  -0.000340266306
  10  Al  2.036529128369  3.997935211675  2.011948108019  -0.047358171234  0.237629044985  0.096501765749  0.002407164855  -0.004314932499  -0.000550386489
  11  Al  2.024715986518  6.061791537376  0.036309842205  -0.075235453464  0.011437520697  0.077826148623  0.000890304446  0.001354520870  0.004643052775
  12  Al  8.050176557328  4.045789330376  4.006204595336  0.127464900223  0.012086716568  0.114489107216  -0.002140433185  0.001487166526  -0.003392717180
  13  Al  0.002852163857  6.039542244921  6.021426228742  -0.003093088966  0.013722985571  0.064697526610  0.000360059679  -0.001442190307  -0.003671569379
  14  Al  2.011489717662  4.021498510780  6.064103348418  -0.067956461301  -0.089845837675  -0.073438579565  -0.000766722724  -0.001669818384  0.001563395859
  15  Al  2.048262995244  6.055915027726  4.001332730254  -0.144171613749  -0.052499882180  -0.024361060488  0.003786667033  0.000552331180  -0.004146187124
  16  Al  4.071119146262  0.039679442313  8.066665933257  -0.022331928634  -0.011710084936  0.107467849466  0.004632655014  0.004981033466  -0.000085776512
  17  Al  3.990067630865  1.982582339713  2.011731998890  0.162721780330  0.064443009081  -0.012289968917  -0.005379125435  -0.004270006845  -0.000680070555
  18  Al  6.080497514428  8.034779316560  1.977524850647  -0.150646864337  -0.011354753418  0.066421664498  0.003550917379  -0.004211566345  -0.004910428511
  19  Al  6.063624160870  2.055460632828  8.020183363083  -0.121988108067  -0.131082364544  0.014601506232  0.001454684521  0.004709242906  -0.006025682687
  20  Al  4.045507502175  0.041829311935  4.037986161485  -0.056122351949  -0.143860198026  -0.031189707894  0.001381262968  0.005122998671  0.000462222603
  21  Al  4.042675034384  2.005174986647  6.059347015852  0.022119898758  0.053999791873  0.082069374398  0.001100110201  -0.001442117506  0.001113508140
  22  Al  6.051525659847  0.003175973763  6.055660269562  0.014323966077  0.138585380505  0.047403624746  0.000067424563  0.000534556797  0.000617174543
  23  Al  6.081595960267  2.023121729300  4.023146475703  -0.100053645589  -0.009922555904  0.149474619123  0.003737117836  0.000755654711  -0.001227993536
  24  Al  4.041590315175  4.029945766031  0.042803029723  0.057586944501  -0.044719109003  -0.132454936007  0.000998568790  -0.000562318252  0.005257663242
  25  Al  4.020015939520  6.089336854952  2.053254240820  0.037281562683  -0.077963042842  -0.079102304443  -0.001739267158  0.004726799116  0.004479346900
  26  Al  6.031091933815  4.062801395169  1.990587076402  -0.005404549937  0.030036014863  0.055490808706  -0.002525079163  0.003642108212  -0.003278156945
  27  Al  6.035780323903  6.068312649419  0.034832938117  0.019045504797  -0.070989298908  -0.071799249733  -0.001906364744  0.002093605281  0.004316326501
  28  Al  4.042233525844  4.050165129307  4.062983338652  -0.020387200734  -0.008137769613  -0.137913864485  0.001002833446  0.002011388547  0.003498114318
  29  Al  4.000700725723  6.062037132881  6.101671880291  0.187660481636  -0.031144332869  -0.125573089355  -0.004016066178  0.001341808230  0.006230977953
  30  Al  6.060316591237  3.999125102036  6.058294231025  -0.011392004783  0.043953595666  0.019336076070  0.001147980135  -0.004359396706  0.000929146596
  31  Al  6.083267333110  6.036783891092  4.030889895728  -0.081515788571  0.045635299800  -0.094307426427  0.003965760550  -0.001761721955  -0.000490626164


MDSTEP:  17
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.064174236580  0.000000000000  0.000000000000
  0.000000000000  8.064174236580  0.000000000000
  0.000000000000  0.000000000000  8.064174236580
VIRIAL (kbar)
  -72.924566570482  -0.067491340702  0.010977286180
  -0.067491340702  -73.055646319949  -0.316286916341
  0.010977286180  -0.316286916341  -71.802521258871
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.027060674588  8.053320459741  8.046845277374  0.115617505063  0.009989602902  -0.081197868090  -0.004281054866  -0.001276051145  -0.002132312946
  1  Al  8.046850461121  1.990839368840  1.982271444034  0.105914345303  0.064719620052  0.007166075668  -0.001943577970  -0.002920147051  -0.003991945019
  2  Al  1.994858912640  8.029432165135  1.997435035859  0.045287289721  0.013314419325  0.085044329563  -0.002458509659  -0.004109094205  -0.002115764367
  3  Al  1.993359611585  2.005382113899  8.057745982463  0.021515902162  -0.016647768319  -0.137501709733  -0.002659429601  -0.001278137455  -0.000902379426
  4  Al  0.006074433654  8.037460110385  4.085941346222  0.085173771027  0.017952027961  -0.163536294261  0.000804907967  -0.003146632699  0.006213952004
  5  Al  0.004835036213  2.015485009199  6.068583877484  -0.010573892356  -0.026346941476  -0.060221540501  0.000558053504  -0.000090376908  0.002363010120
  6  Al  2.006322740362  8.058769705158  6.040306200360  -0.049210063330  0.139269988772  0.035398541761  -0.001201900162  -0.000497858772  -0.000894813760
  7  Al  2.013444717639  2.023405194405  4.053041345857  -0.024373970184  -0.057389977665  0.031637621316  -0.000329438761  0.000812319008  0.002513129086
  8  Al  8.049549421728  4.064607855118  8.017772502734  0.002655177177  -0.095290583526  0.094887299055  -0.001730621691  0.003753233445  -0.005398840684
  9  Al  0.010706554900  6.043735158041  2.012678840603  0.006950249650  -0.005672409347  0.066554467395  0.001276647013  -0.000524426944  -0.000328787298
  10  Al  2.036722736297  3.993809779774  2.010681519062  -0.054977683496  0.250683565452  0.102561724726  0.002399255608  -0.004273492530  -0.000532869711
  11  Al  2.024155756948  6.059469358453  0.038616900735  -0.082551268524  0.010461939594  0.079149792603  0.000876654098  0.001357177975  0.004659485303
  12  Al  8.045128024421  4.044531215747  4.002530680387  0.138526499744  0.009349050736  0.122493944737  -0.002117751868  0.001489850598  -0.003373275915
  13  Al  0.003030645792  6.035832809294  6.016613335676  -0.002315354090  0.014043265665  0.070524700377  0.000359761800  -0.001440451415  -0.003661371668
  14  Al  2.010107836929  4.018669353725  6.061880670961  -0.074169146830  -0.096385879352  -0.077825889215  -0.000779827485  -0.001687333127  0.001550675997
  15  Al  2.049136227834  6.053191800835  3.997278282521  -0.156920608812  -0.056711820530  -0.022057329410  0.003761696217  0.000542850163  -0.004152477000
  16  Al  4.071419718256  0.042149824072  8.062635685053  -0.025848611478  -0.012626505621  0.112642834004  0.004630736603  0.004981426967  -0.000066137950
  17  Al  3.985410643177  1.979469021854  2.010395812438  0.171675054238  0.069707633658  -0.013459816505  -0.005351997998  -0.004260213694  -0.000682724012
  18  Al  6.079257044183  8.028696622837  1.974093910027  -0.157587486115  -0.008414499025  0.072015410324  0.003525186273  -0.004215506923  -0.004900582453
  19  Al  6.061345194726  2.056792180941  8.013201985319  -0.126524568976  -0.140862969041  0.017350615174  0.001433212411  0.004687354433  -0.006025934128
  20  Al  4.044193526534  0.044363707461  4.036217497438  -0.061671179368  -0.151971888287  -0.031681529211  0.001371442193  0.005099187648  0.000456838972
  21  Al  4.041225379231  2.003463980248  6.056908695549  0.021308324817  0.058849114201  0.087311234522  0.001104561207  -0.001432770286  0.001129229016
  22  Al  6.048565135706  0.003447876308  6.052974055310  0.017662287252  0.147979035322  0.050739675473  0.000070319633  0.000560457840  0.000626269151
  23  Al  6.080450308526  2.022497881905  4.020548112656  -0.103880628456  -0.010198248097  0.159305160418  0.003720809548  0.000754245307  -0.001201015250
  24  Al  4.040092010591  4.027668200854  0.045404786021  0.058694044319  -0.049111634169  -0.144082611231  0.001009482075  -0.000570998920  0.005235647056
  25  Al  4.017158472583  6.088683205184  2.054474254601  0.039262567802  -0.083349423494  -0.086530107003  -0.001733319697  0.004714812751  0.004466846575
  26  Al  6.026844375452  4.062613145355  1.987965327004  -0.001338446872  0.028535002066  0.060244178007  -0.002526984837  0.003649224749  -0.003269498865
  27  Al  6.031840898295  6.066353105679  0.036970676203  0.022571625885  -0.076322429522  -0.080327812172  -0.001903626743  0.002081512420  0.004304949753
  28  Al  4.040733550733  4.049166059007  4.062715495668  -0.023513207676  -0.010304501163  -0.144385469351  0.000999425134  0.002010777080  0.003474675140
  29  Al  3.996721126849  6.059706573105  6.101762095472  0.197217845719  -0.033859296330  -0.132213877432  -0.003983721359  0.001336687697  0.006211140624
  30  Al  6.057890850613  3.994968193850  6.055761446562  -0.010113603704  0.047716625716  0.018509888950  0.001146649301  -0.004353448371  0.000933010221
  31  Al  6.082236005174  6.032917479218  4.028645493685  -0.084462769612  0.048895883540  -0.098515639956  0.003952964310  -0.001754177634  -0.000508121972


MDSTEP:  18
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.059966849115  0.000000000000  0.000000000000
  0.000000000000  8.059966849115  0.000000000000
  0.000000000000  0.000000000000  8.059966849115
VIRIAL (kbar)
  -71.655515058334  -0.074815645049  0.013231101337
  -0.074815645049  -71.803994765283  -0.354058938362
  0.013231101337  -0.354058938362  -70.401680767653
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.020737266035  8.048481148816  8.041577134128  0.122057240646  0.009744094442  -0.084387724926  -0.004262132838  -0.001274981498  -0.002148281594
  1  Al  8.041685045380  1.988343474303  1.979241542784  0.110045009201  0.068986281624  0.008623938011  -0.001925324685  -0.002909781065  -0.003992707264
  2  Al  1.992590873838  8.023188928858  1.995338804219  0.050141125048  0.016155896670  0.090998839758  -0.002451315151  -0.004108696914  -0.002101174315
  3  Al  1.990990831637  2.003696009688  8.053084609433  0.024754366115  -0.017933020546  -0.142899817803  -0.002656740425  -0.001281925943  -0.000927945439
  4  Al  0.006477529116  8.031694129002  4.086909257313  0.088168627112  0.018438900905  -0.176701926872  0.000820847274  -0.003145092329  0.006186911145
  5  Al  0.005111070935  2.014387087399  6.066596492759  -0.012788934972  -0.028391415113  -0.065110438851  0.000556268264  -0.000095321036  0.002353089511
  6  Al  2.004672809321  8.054322428969  6.036708912098  -0.048450546062  0.145258027202  0.037939002785  -0.001211287954  -0.000472686405  -0.000888743018
  7  Al  2.012228416242  2.022753106095  4.052184711916  -0.023523949396  -0.061134685684  0.031197426724  -0.000333901399  0.000802162538  0.002520116821
  8  Al  8.044484462723  4.064359573435  8.010894114627  0.001294181666  -0.099932014308  0.103134527378  -0.001731211122  0.003737820160  -0.005384073375
  9  Al  0.011339610116  6.040319440860  2.011467327937  0.004641910523  -0.006000268646  0.070713694705  0.001278378962  -0.000525756391  -0.000316691357
  10  Al  2.036857284689  3.989600489179  2.009370615219  -0.057287659799  0.266187767626  0.109698236296  0.002390523207  -0.004229599609  -0.000514178885
  11  Al  2.023534320538  6.056986966128  0.040930058564  -0.084714521120  0.010076901983  0.082345247680  0.000862174060  0.001359753831  0.004676464604
  12  Al  8.039877876790  4.043166380871  3.998761224570  0.145509012271  0.009705217457  0.128506232581  -0.002093505831  0.001492365959  -0.003352667849
  13  Al  0.003208844031  6.031964078769  6.011646684184  -0.005384584249  0.014780791810  0.074799564230  0.000359269191  -0.001438658417  -0.003650370440
  14  Al  2.008665854385  4.015724677267  6.059489825251  -0.074935969871  -0.099404987128  -0.083588167361  -0.000793585746  -0.001705760478  0.001537086354
  15  Al  2.049940971930  6.050302513434  3.993115502479  -0.164284000856  -0.059955121293  -0.021366454137  0.003735021772  0.000532713049  -0.004158621793
  16  Al  4.071609742268  0.044618009974  8.058401064745  -0.026070811446  -0.016598360124  0.120350423555  0.004628615948  0.004981526748  -0.000045338869
  17  Al  3.980662945240  1.976309241753  2.009004944903  0.184922268507  0.074038351710  -0.013207167982  -0.005323024778  -0.004249679766  -0.000685480522
  18  Al  6.077840834346  8.022399592347  1.970616849498  -0.170124847117  -0.007377741260  0.079825431850  0.003497801066  -0.004219215133  -0.004889673436
  19  Al  6.058893719699  2.058056482499  8.006008966640  -0.135787394380  -0.151200981479  0.023615720459  0.001410536133  0.004663790019  -0.006025552844
  20  Al  4.042766489228  0.046883392232  4.034338654985  -0.063372264665  -0.163681994329  -0.035108028474  0.001361007321  0.005073738044  0.000451115228
  21  Al  4.039670156722  2.001704933325  6.054317097706  0.024365703379  0.063217026384  0.091302391812  0.001109247153  -0.001422635058  0.001145816340
  22  Al  6.045445317935  0.003732922356  6.050131393266  0.015357520378  0.153887716129  0.052476728244  0.000073310685  0.000587757120  0.000635840240
  23  Al  6.079133688900  2.021819338703  4.017857043951  -0.113212376284  -0.011143639083  0.165925018625  0.003703422872  0.000752747644  -0.001172586127
  24  Al  4.038491509999  4.025279115289  0.047992510644  0.063619356429  -0.050911445369  -0.153491928428  0.001020969606  -0.000580254346  0.005211888497
  25  Al  4.014197652723  6.087860214797  2.055631938373  0.045813336992  -0.087885548603  -0.092210319039  -0.001726655967  0.004702068259  0.004453295861
  26  Al  6.022436374374  4.062319432973  1.985296054106  -0.002420218983  0.029240478714  0.066592570607  -0.002528697293  0.003656378822  -0.003259937421
  27  Al  6.027743041364  6.064225414894  0.039100296442  0.020776441674  -0.081444049591  -0.087185249673  -0.001900787228  0.002068538081  0.004292314852
  28  Al  4.039124013223  4.048058393832  4.062326726639  -0.022497453223  -0.009056268153  -0.153262576505  0.000995855039  0.002010140956  0.003449950880
  29  Al  3.992652815224  6.057211831137  6.101678269975  0.211005301843  -0.035814374701  -0.140661029846  -0.003949386327  0.001331185262  0.006190122107
  30  Al  6.055303096863  3.990709250318  6.053069262196  -0.014071830590  0.055156420975  0.016038091229  0.001145111083  -0.004346620230  0.000936607799
  31  Al  6.081035400304  6.028894962361  4.026285129289  -0.093544038773  0.052992041781  -0.104902256633  0.003939199309  -0.001746021872  -0.000526589092


MDSTEP:  19
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.055549800871  0.000000000000  0.000000000000
  0.000000000000  8.055549800871  0.000000000000
  0.000000000000  0.000000000000  8.055549800871
VIRIAL (kbar)
  -70.314924599850  -0.082753235417  0.014972209320
  -0.082753235417  -70.479128201532  -0.394044288327
  0.014972209320  -0.394044288327  -68.920314889063
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.014216078593  8.043433331937  8.036092238946  0.131350323053  0.011250074368  -0.089473332899  -0.004241913980  -0.001273834627  -0.002165060010
  1  Al  8.036320259562  1.985801990683  1.976160880113  0.117316906016  0.074239538316  0.010046940672  -0.001906096028  -0.002898640337  -0.003993325337
  2  Al  1.990275456149  8.016738384289  1.993198778972  0.051247524641  0.021353764554  0.096037486632  -0.002443653019  -0.004107696790  -0.002085652527
  3  Al  1.988572442453  2.001956165787  8.048200968634  0.024635293031  -0.018690189170  -0.150363093261  -0.002653846001  -0.001285935479  -0.000954702134
  4  Al  0.006888347935  8.025720833559  4.087755133364  0.093772449211  0.021513484126  -0.188093988176  0.000837587660  -0.003143321644  0.006157834241
  5  Al  0.005385835960  2.013234226850  6.064445507022  -0.011688867323  -0.030200041230  -0.069899724303  0.000554398065  -0.000100615187  0.002342364498
  6  Al  2.002966385786  8.049678619123  6.032957974479  -0.051088036761  0.153708582458  0.041605073008  -0.001220883218  -0.000446222182  -0.000882139022
  7  Al  2.010957664578  2.022042944808  4.051225488842  -0.026438641015  -0.063760340180  0.032802843410  -0.000338560615  0.000791453430  0.002527283999
  8  Al  8.039210340930  4.063996677497  8.003816498762  0.003094126226  -0.106195921687  0.109933670297  -0.001731810636  0.003721528861  -0.005368104703
  9  Al  0.011972800437  6.036746056577  2.010209809726  0.004796467735  -0.007068055394  0.073878522846  0.001279955465  -0.000527226269  -0.000303942667
  10  Al  2.036933755893  3.985311165552  2.008017243208  -0.063461323860  0.279574592396  0.116494160198  0.002381094947  -0.004183218311  -0.000494246263
  11  Al  2.022852683533  6.054347932679  0.043249568478  -0.090020081512  0.008940806490  0.083334882317  0.000847042438  0.001362233590  0.004693960022
  12  Al  8.034431574540  4.041697257939  3.994899199232  0.155829719583  0.007127429615  0.135802551232  -0.002067758167  0.001494726303  -0.003330953051
  13  Al  0.003386481667  6.027939745505  6.006530297944  -0.005832316484  0.015143356871  0.080428920249  0.000358471972  -0.001436806766  -0.003638580713
  14  Al  2.007164912649  4.012666634507  6.056933901870  -0.079028808082  -0.104727907348  -0.088762105301  -0.000807808735  -0.001724992398  0.001522554657
  15  Al  2.050677749041  6.047250488252  3.988846891835  -0.175475617364  -0.064109996448  -0.018659787756  0.003706778869  0.000521923768  -0.004164583915
  16  Al  4.071691577045  0.047083610202  8.053967583023  -0.028908190587  -0.019022623642  0.125944191776  0.004626351529  0.004981195627  -0.000023339975
  17  Al  3.975828168817  1.973104621436  2.007560629106  0.195230032192  0.079507858349  -0.013559520313  -0.005292079647  -0.004238383864  -0.000688266893
  18  Al  6.076251356368  8.015893168913  1.967095606627  -0.178857316941  -0.004286874849  0.086835666917  0.003468597517  -0.004222675737  -0.004877571435
  19  Al  6.056272514470  2.059253786540  7.998609730826  -0.141919181358  -0.161707590377  0.028398854290  0.001386510449  0.004638480427  -0.006024353926
  20  Al  4.041228639687  0.049387284402  4.032351735567  -0.067808088564  -0.172791687242  -0.036213448364  0.001350056351  0.005046556035  0.000444995789
  21  Al  4.038012043208  1.999899451550  6.051576187115  0.024387608941  0.068145537106  0.095630595890  0.001114242482  -0.001411703106  0.001163189326
  22  Al  6.042169616158  0.004031635603  6.047136050369  0.016623166209  0.162036503245  0.055099887544  0.000076212560  0.000616345382  0.000645824587
  23  Al  6.077648857831  2.021087215364  4.015076279928  -0.119040035634  -0.011628152170  0.174591848277  0.003684775685  0.000751142583  -0.001142807300
  24  Al  4.036791657244  4.022780763436  0.050565326425  0.065505498637  -0.054370440517  -0.164865461740  0.001033101572  -0.000590001639  0.005186405691
  25  Al  4.011136488364  6.086871061946  2.056727958901  0.049734764395  -0.093418017969  -0.099627926797  -0.001719100915  0.004688549365  0.004438692364
  26  Al  6.017871467778  4.061922706296  1.982581053266  0.000283269270  0.027935277563  0.072459408789  -0.002530337266  0.003663586766  -0.003249370569
  27  Al  6.023490222040  6.061932721211  0.041221156021  0.022323713669  -0.086965131819  -0.096008362977  -0.001898022101  0.002054663323  0.004278392163
  28  Al  4.037407408069  4.046844642209  4.061818625154  -0.024581292338  -0.010587140435  -0.160362752961  0.000992215625  0.002009536103  0.003423881695
  29  Al  3.988499461236  6.054556339237  6.101423222084  0.221638724263  -0.038331287160  -0.147693928173  -0.003912960071  0.001325317527  0.006167882768
  30  Al  6.052556584390  3.986351377602  6.050221066540  -0.014805346368  0.060781630994  0.013875420662  0.001143184863  -0.004338742978  0.000939819463
  31  Al  6.079668295632  6.024720335008  4.023810646362  -0.098816442882  0.056602961187  -0.109617491985  0.003924254547  -0.001737221774  -0.000546074221


MDSTEP:  20
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.050928175217  0.000000000000  0.000000000000
  0.000000000000  8.050928175217  0.000000000000
  0.000000000000  0.000000000000  8.050928175217
VIRIAL (kbar)
  -68.899179984700  -0.090629733666  0.017879009261
  -0.090629733666  -69.080986381234  -0.435648401981
  0.017879009261  -0.435648401981  -67.358457416115
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.007503051527  8.038182234742  8.030395233894  0.139842500770  0.012229626415  -0.093333586214  -0.004220210903  -0.001272500281  -0.002182708553
  1  Al  8.030761848188  1.983216675664  1.973030878096  0.123257567807  0.079759051920  0.012336830748  -0.001885727612  -0.002886610416  -0.003993722937
  2  Al  1.987914043839  8.010086104212  1.991016693626  0.054108903685  0.026499328711  0.102400263331  -0.002435699610  -0.004105885484  -0.002069160118
  3  Al  1.986105720101  2.000163793147  8.043099482528  0.026112831828  -0.019192678714  -0.156115265727  -0.002650902292  -0.001290095822  -0.000982682923
  4  Al  0.007307385708  8.019545601155  4.088480461170  0.098205593192  0.023783479117  -0.201287601418  0.000855258762  -0.003141159502  0.006126713133
  5  Al  0.005659426357  2.012027537402  6.062134290761  -0.012057069139  -0.031514800295  -0.075615562528  0.000552607655  -0.000106194560  0.002330758981
  6  Al  2.001204512367  8.044844116590  6.029057532970  -0.051765940212  0.160876917923  0.044290398166  -0.001230814591  -0.000418358114  -0.000874987734
  7  Al  2.009633475037  2.021275742123  4.050166346497  -0.027604568075  -0.066381254570  0.032776052291  -0.000343596907  0.000780290894  0.002534666925
  8  Al  8.033732311055  4.063521126978  7.996545378297  0.003642713111  -0.112009339842  0.118134202675  -0.001732248704  0.003704251597  -0.005350934769
  9  Al  0.012606131932  6.033018725445  2.008907841302  0.003872960646  -0.008484685819  0.078162399788  0.001281499770  -0.000528933862  -0.000290528850
  10  Al  2.036952854677  3.980945571517  2.006623284004  -0.068304424715  0.293631352827  0.124188970518  0.002370742268  -0.004134472098  -0.000473019854
  11  Al  2.022111637692  6.051555960799  0.045575490336  -0.093834575577  0.007374505718  0.084939900480  0.000831109950  0.001364511071  0.004711828443
  12  Al  8.028795135620  4.040126149108  3.990947817898  0.165021825955  0.005451066204  0.142333740610  -0.002040308012  0.001496749220  -0.003308081718
  13  Al  0.003563516502  6.023763663027  6.001268514376  -0.007434187374  0.014972477912  0.084962988858  0.000357500979  -0.001434976894  -0.003625976506
  14  Al  2.005605921839  4.009497302040  6.054216241929  -0.081277354847  -0.108707848625  -0.095200520895  -0.000822629650  -0.001745115556  0.001507018379
  15  Al  2.051346807781  6.044039163447  3.984475259460  -0.185042818832  -0.068488536371  -0.016312911424  0.003676766224  0.000510379578  -0.004170213581
  16  Al  4.071667482863  0.049546378063  8.049340823021  -0.031106256562  -0.022377254366  0.132723366678  0.004623764302  0.004980486229  -0.000000222354
  17  Al  3.970909808281  1.969856945959  2.006064108590  0.206930404409  0.085193324771  -0.012729612997  -0.005259295609  -0.004226201804  -0.000691031357
  18  Al  6.074491621839  8.009182737722  1.963532108089  -0.189391264340  -0.001265597638  0.095688637565  0.003437750489  -0.004225709368  -0.004864179563
  19  Al  6.053484835557  2.060384397221  7.991009825109  -0.149176121707  -0.171888139040  0.035079466835  0.001361311969  0.004611435167  -0.006022296895
  20  Al  4.039582115150  0.051874539786  4.030259179489  -0.071236561668  -0.183332186661  -0.038685527943  0.001338433273  0.005017741352  0.000438565227
  21  Al  4.036253575536  1.998049254656  6.048690155884  0.025491183487  0.073615449274  0.098903820473  0.001119372416  -0.001399874155  0.001181284664
  22  Al  6.038741955509  0.004344740232  6.043992069557  0.016095263503  0.168913741171  0.056407828637  0.000079184233  0.000646311304  0.000656184321
  23  Al  6.075999085084  2.020302734931  4.012209143304  -0.126578129511  -0.011751361148  0.181666545657  0.003665024909  0.000749503149  -0.001111635113
  24  Al  4.034995156168  4.020175381485  0.053122185893  0.068477354273  -0.057239007001  -0.175507522193  0.001045703857  -0.000600336930  0.005159083575
  25  Al  4.007977881997  6.085719036675  2.057762897490  0.055097903787  -0.098953014267  -0.105781817199  -0.001710759014  0.004674163368  0.004422990245
  26  Al  6.013153725147  4.061425368121  1.979822139182  0.001623789074  0.026600098424  0.079665080353  -0.002531687018  0.003670664834  -0.003237718969
  27  Al  6.019086402496  6.059478331498  0.043332440666  0.022297747485  -0.093150698630  -0.104502753167  -0.001895172157  0.002039790754  0.004263031796
  28  Al  4.035586084789  4.045527196915  4.061193078135  -0.025363627395  -0.011031673291  -0.168399361159  0.000988345392  0.002008810198  0.003396538924
  29  Al  3.984264579948  6.051743677076  6.101000099008  0.233592426166  -0.041181263728  -0.156364597670  -0.003874601511  0.001319003311  0.006144397811
  30  Al  6.049655053292  3.981897646255  6.047220472983  -0.017180778157  0.067880374886  0.010267168670  0.001141011322  -0.004329844062  0.000942543110
  31  Al  6.078138009035  6.020397742780  4.021224168731  -0.106317291069  0.060168544731  -0.115091021800  0.003908268023  -0.001727823116  -0.000566497134


MDSTEP:  21
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.046107317984  0.000000000000  0.000000000000
  0.000000000000  8.046107317984  0.000000000000
  0.000000000000  0.000000000000  8.046107317984
VIRIAL (kbar)
  -67.410775080056  -0.099148341135  0.020309488175
  -0.099148341135  -67.609893767225  -0.479172994786
  0.020309488175  -0.479172994786  -65.717033790279
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.000604310427  8.032733296964  8.024491131059  0.150565134132  0.014080375028  -0.099190338268  -0.004196891623  -0.001270946824  -0.002201296627
  1  Al  8.025015697071  1.980589373279  1.969853097885  0.131078568157  0.083848474148  0.013571197335  -0.001864167602  -0.002873792776  -0.003993914884
  2  Al  1.985508241114  8.003237915039  1.988794463379  0.054283324845  0.033184678380  0.107170798985  -0.002427536470  -0.004103127393  -0.002051718563
  3  Al  1.983592146271  1.998320189853  8.037784988377  0.025189658488  -0.021374457573  -0.164068479007  -0.002647979727  -0.001294534065  -0.001011933430
  4  Al  0.007735034024  8.013173996216  4.089086704286  0.104644288037  0.027797713319  -0.212653904467  0.000873936363  -0.003138519989  0.006093544197
  5  Al  0.005931806517  2.010768238630  6.059666330980  -0.009760763573  -0.034611739672  -0.080199872772  0.000551003688  -0.000112174794  0.002318288985
  6  Al  1.999388471358  8.039824909398  6.025011841237  -0.054809071190  0.169355393807  0.048826269820  -0.001241118505  -0.000389089116  -0.000867210217
  7  Al  2.008257081679  2.020452596592  4.049009942533  -0.031658019900  -0.070701960394  0.034999892252  -0.000349112450  0.000768522077  0.002542320213
  8  Al  8.028055776651  4.062935057025  7.989086858510  0.006519629327  -0.118583087226  0.124632212900  -0.001732428101  0.003685957311  -0.005332586232
  9  Al  0.013239515566  6.029141332861  2.007563143188  0.004869504388  -0.008340064356  0.080486833278  0.001283086616  -0.000530770729  -0.000276523774
  10  Al  2.036915472899  3.976507656016  2.005190763819  -0.076101136046  0.306526796057  0.130278266188  0.002359317745  -0.004083398782  -0.000450560665
  11  Al  2.021312174736  6.048614912915  0.047907943546  -0.100172225944  0.007252491092  0.083984259375  0.000814282529  0.001366676303  0.004729894829
  12  Al  8.022974737142  4.038455569832  3.986910353281  0.176380715398  0.001944527379  0.150610851442  -0.002011058989  0.001498350837  -0.003283962570
  13  Al  0.003739803528  6.019439832541  5.995865766001  -0.007286491243  0.016546250150  0.091766880973  0.000356409128  -0.001433059701  -0.003612449835
  14  Al  2.003990021924  4.006219006242  6.051340272062  -0.085845487293  -0.113951356988  -0.099950597800  -0.000838091778  -0.001766123655  0.001490513227
  15  Al  2.051948611698  6.040672154689  3.980003509153  -0.197260243437  -0.071096361362  -0.011625087861  0.003644887588  0.000498217484  -0.004175331706
  16  Al  4.071539913103  0.052005988740  8.044526736019  -0.035274070109  -0.024950487005  0.137235601055  0.004620732705  0.004979382545  0.000023919227
  17  Al  3.965911607999  1.966568080871  2.004516797545  0.216836508455  0.089364851746  -0.013684328173  -0.005224703105  -0.004213246400  -0.000693827589
  18  Al  6.072564682016  8.002273935970  1.959928505833  -0.197179605186  0.003508428316  0.103056626560  0.003405340046  -0.004228163364  -0.004849461945
  19  Al  6.050534037437  2.061448718469  7.983215222711  -0.154202448667  -0.184245909499  0.040614236399  0.001335036788  0.004582483911  -0.006019310977
  20  Al  4.037829275649  0.054344191726  4.028063436637  -0.076815289440  -0.192717410326  -0.038859494298  0.001326034181  0.004987264340  0.000431906084
  21  Al  4.034397519552  1.996156174832  6.045663299618  0.024206419226  0.077601104795  0.103626633604  0.001124519925  -0.001387230649  0.001200138507
  22  Al  6.035166297668  0.004672847023  6.040703573566  0.018102530873  0.176566161164  0.059394712358  0.000082292195  0.000677612674  0.000666952450
  23  Al  6.074187688319  2.019467219145  4.009258944169  -0.131390513202  -0.013548323541  0.190447761976  0.003644257798  0.000747711499  -0.001079056230
  24  Al  4.033104939804  4.017465389161  0.055662112527  0.069327987691  -0.061197190622  -0.188634367417  0.001058684332  -0.000611305497  0.005129760228
  25  Al  4.004724994403  6.084407630567  2.058737518712  0.058465796894  -0.102891474610  -0.113988264636  -0.001701678000  0.004659049228  0.004406115280
  26  Al  6.008287288425  4.060829953414  1.977021308440  0.005867580856  0.023765772434  0.085425024383  -0.002532607475  0.003677474812  -0.003224989310
  27  Al  6.014535599144  6.056865692316  0.045433369985  0.024776942090  -0.097660480828  -0.115614091241  -0.001892152927  0.002024008396  0.004246025337
  28  Al  4.033662641535  4.044108681119  4.060452023809  -0.028135813304  -0.012808059062  -0.174020644366  0.000984181950  0.002007940196  0.003368050888
  29  Al  3.979951931279  6.048777592807  6.100412104910  0.243448526102  -0.042538900972  -0.163273245283  -0.003834374994  0.001312345027  0.006119673313
  30  Al  6.046602294904  3.977351385310  6.044071163430  -0.017410382123  0.074440652005  0.007869861340  0.001138634702  -0.004319836649  0.000944757157
  31  Al  6.076447860172  6.015931522226  4.018527883349  -0.111261554306  0.065433594218  -0.118235204637  0.003891265669  -0.001717676255  -0.000587718756


MDSTEP:  22
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.041092830408  0.000000000000  0.000000000000
  0.000000000000  8.041092830408  0.000000000000
  0.000000000000  0.000000000000  8.041092830408
VIRIAL (kbar)
  -65.847816940819  -0.107145055291  0.023924605210
  -0.107145055291  -66.067260063993  -0.524255681297
  0.023924605210  -0.524255681297  -63.997051148924
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.993526430971  8.027092290264  8.018385017341  0.157290503196  0.013332666585  -0.101506303860  -0.004172109724  -0.001269327854  -0.002220686611
  1  Al  8.019088113288  1.977921860370  1.966629065904  0.135019437303  0.089753151073  0.015427349054  -0.001841591968  -0.002860150321  -0.003993937817
  2  Al  1.983059473144  7.996200031882  1.986533922553  0.057931308546  0.037683610635  0.112758514757  -0.002419091444  -0.004099477515  -0.002033394585
  3  Al  1.981033049040  1.996426566392  8.032262381363  0.027644575423  -0.021772616486  -0.168018406295  -0.002644989407  -0.001299240637  -0.001042294359
  4  Al  0.008171864461  8.006611991160  4.089575624170  0.106877983438  0.028918284417  -0.227567121013  0.000893424974  -0.003135503860  0.006058167461
  5  Al  0.006203179649  2.009457454588  6.057045409990  -0.012091916039  -0.035960265413  -0.085577440027  0.000549410371  -0.000118559428  0.002304982361
  6  Al  1.997519396268  8.034627357331  6.020825508926  -0.053924397125  0.174211403486  0.052543988570  -0.001251655385  -0.000358619302  -0.000858712889
  7  Al  2.006829523963  2.019574519616  4.047759266095  -0.031862900083  -0.072954203443  0.033198039628  -0.000355021723  0.000756178534  0.002550084415
  8  Al  8.022186602999  4.062240666637  7.981447142014  0.005178561573  -0.122760398544  0.134621147842  -0.001732516783  0.003666788810  -0.005312894708
  9  Al  0.013873035295  6.025118094805  2.006177324120  0.001446420211  -0.009868185313  0.083689323416  0.001284491932  -0.000532746750  -0.000262022873
  10  Al  2.036822304839  3.972001386919  2.003721628435  -0.080112027439  0.321891911149  0.137566956582  0.002346893306  -0.004029875041  -0.000426902790
  11  Al  2.020455125736  6.045528973536  0.050246823364  -0.102462412755  0.005249117885  0.085580375163  0.000796694602  0.001368689551  0.004748157092
  12  Al  8.016977002851  4.036688001200  3.982790358111  0.183670977110  0.001175158507  0.155498739128  -0.001980177433  0.001499611328  -0.003258738800
  13  Al  0.003915354535  6.014972601231  5.990326875830  -0.011085569271  0.016362392147  0.097494425066  0.000354999608  -0.001431055460  -0.003597890817
  14  Al  2.002318208663  4.002834086620  6.048309763162  -0.086455606430  -0.115530292463  -0.105650010856  -0.000854049415  -0.001787802780  0.001473103024
  15  Al  2.052483455502  6.037153428175  3.975434877357  -0.205656255207  -0.075762845672  -0.009414889526  0.003611242939  0.000485410434  -0.004179948351
  16  Al  4.071311277667  0.054462192542  8.039531325761  -0.035343399247  -0.030956205789  0.144972723958  0.004617444317  0.004977644656  0.000049172384
  17  Al  3.960837273682  1.963239815611  2.002920013773  0.231039171943  0.095401919336  -0.013389791000  -0.005188072686  -0.004199482877  -0.000696703283
  18  Al  6.070474029160  7.995172808525  1.956286877607  -0.209052208213  0.005721856424  0.111703121173  0.003371241997  -0.004230107590  -0.004833432948
  19  Al  6.047423867292  2.062447028606  7.975232043433  -0.162574937340  -0.195121115126  0.049964172055  0.001307582360  0.004551559435  -0.006015153656
  20  Al  4.035972418234  0.056795382490  4.025767290584  -0.077902493027  -0.205177607430  -0.042277523216  0.001313066614  0.004954948085  0.000424933038
  21  Al  4.032446556411  1.994221973810  6.042500236099  0.027388596694  0.083306522439  0.107266490762  0.001129870616  -0.001373749620  0.001219784535
  22  Al  6.031447022558  0.005016636387  6.037275027348  0.015956287739  0.181183489712  0.061324437138  0.000085391933  0.000710049588  0.000678185081
  23  Al  6.072218424534  2.018581904775  4.006229271327  -0.140323074977  -0.013679307452  0.195817390248  0.003622346026  0.000745766362  -0.001045219929
  24  Al  4.031123880206  4.014653235964  0.058183913439  0.074112642036  -0.061926982816  -0.198687156025  0.001072205519  -0.000622716754  0.005098482888
  25  Al  4.001380933788  6.082940674596  2.059652472352  0.066903545119  -0.108893656648  -0.121583719381  -0.001691581090  0.004643161516  0.004387934658
  26  Al  6.003276748002  4.060138994611  1.974180488678  0.006576292442  0.023731848824  0.092619514809  -0.002533153633  0.003684131403  -0.003211179584
  27  Al  6.009842241869  6.054098593924  0.047522934315  0.023167404429  -0.104149487928  -0.123848560965  -0.001889104796  0.002007286653  0.004227391911
  28  Al  4.031639627359  4.042591728760  4.059597747952  -0.026848336035  -0.011518662513  -0.183216731664  0.000979909489  0.002007080002  0.003338309915
  29  Al  3.975565210771  6.045662161021  6.099662799804  0.257546265114  -0.045503254807  -0.170876717854  -0.003792083468  0.001305331200  0.006093799477
  30  Al  6.043402485182  3.972715998686  6.040777120548  -0.021393109167  0.084565843149  0.004211699748  0.001135910429  -0.004308446653  0.000946456461
  31  Al  6.074601593131  6.011326351444  4.015724312755  -0.120661329961  0.069045912072  -0.124644037413  0.003873074127  -0.001706775116  -0.000609824088


MDSTEP:  23
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.035890565101  0.000000000000  0.000000000000
  0.000000000000  8.035890565101  0.000000000000
  0.000000000000  0.000000000000  8.035890565101
VIRIAL (kbar)
  -64.212273551601  -0.116618782041  0.027081259156
  -0.116618782041  -64.450384505474  -0.571764065191
  0.027081259156  -0.571764065191  -62.197463623932
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.986275877963  8.021265003959  8.012082545345  0.169139490589  0.015179166763  -0.107249296239  -0.004145759985  -0.001267642949  -0.002240868717
  1  Al  8.012985306109  1.975216135586  1.963360422599  0.143630504911  0.093990874376  0.016180841839  -0.001817927206  -0.002845667003  -0.003993832515
  2  Al  1.980569535699  7.988978721220  1.984237038902  0.057088776630  0.045786872817  0.117037573439  -0.002410453560  -0.004094806095  -0.002014229503
  3  Al  1.978430118368  1.994484354172  8.026537165160  0.025718191527  -0.024079227300  -0.175400805192  -0.002642019445  -0.001304226440  -0.001073716459
  4  Al  0.008618073424  7.999865547600  4.089948797983  0.113694303520  0.033056120041  -0.239412138355  0.000913759466  -0.003132097991  0.006020533568
  5  Al  0.006473335899  2.008096528423  6.054275430422  -0.009344173504  -0.039131917767  -0.089881007526  0.000547867707  -0.000125355689  0.002290861737
  6  Al  1.995598833348  8.029257746939  6.016503260038  -0.057119713918  0.181841188522  0.058022217670  -0.001262438892  -0.000327021964  -0.000849410095
  7  Al  2.005352247927  2.018642771342  4.046417074845  -0.036655676467  -0.077182108686  0.034925472419  -0.000361391229  0.000743267130  0.002557914274
  8  Al  8.016130527765  4.061440499022  7.973632988791  0.008835588891  -0.129441764275  0.141505450714  -0.001732444013  0.003646732929  -0.005291820903
  9  Al  0.014506381356  6.020953265686  2.004752133708  0.002447723443  -0.009647595047  0.085417524012  0.001285715418  -0.000534855048  -0.000247078227
  10  Al  2.036674448801  3.967431073475  2.002217992951  -0.089145776857  0.334321599053  0.143354662665  0.002333355761  -0.003973935926  -0.000402070924
  11  Al  2.019541747539  6.042302348994  0.052592258175  -0.109084835157  0.004808619307  0.082821788893  0.000778318839  0.001370521618  0.004766452581
  12  Al  8.010808441585  4.034826296325  3.978591203907  0.196001511934  -0.002555627703  0.164002654088  -0.001947572679  0.001500509686  -0.003232386326
  13  Al  0.004089828874  6.010366346078  5.984656755045  -0.010222076073  0.017880146931  0.105052880671  0.000353335962  -0.001428968259  -0.003582228612
  14  Al  2.000591893756  3.999345334277  6.045128591624  -0.091273441161  -0.119591755684  -0.110113257196  -0.000870525617  -0.001810047869  0.001454811119
  15  Al  2.052952042768  6.033486955284  3.970772500167  -0.219073047659  -0.078678739665  -0.002903643110  0.003575720151  0.000471929513  -0.004183898151
  16  Al  4.070984483692  0.056914438425  8.034361135421  -0.040494812222  -0.034892029542  0.148855909706  0.004613808384  0.004975147559  0.000075482912
  17  Al  3.955691014678  1.959874164441  2.001275248865  0.240474669672  0.099851619408  -0.014233195593  -0.005149440396  -0.004184882867  -0.000699648324
  18  Al  6.068222983069  7.987885418087  1.952609472786  -0.215997677370  0.011303275952  0.119519085716  0.003335527005  -0.004231467370  -0.004816048234
  19  Al  6.044157963474  2.063379806729  7.967066992862  -0.166370360120  -0.208021517320  0.056597042018  0.001279055830  0.004518607855  -0.006009722551
  20  Al  4.034014368794  0.059226985302  4.023373361133  -0.083831346860  -0.214803323456  -0.041951409988  0.001299497501  0.004920765523  0.000417690008
  21  Al  4.030403893480  1.992248628238  6.039205675937  0.025610690999  0.087514415038  0.111954767128  0.001135380207  -0.001359409199  0.001240220581
  22  Al  6.027588327367  0.005376517783  6.033710990494  0.018259205662  0.188108717128  0.064503681248  0.000088510001  0.000743559117  0.000689899964
  23  Al  6.070094875181  2.017648241220  4.003123532708  -0.144799981855  -0.015612954107  0.204373198953  0.003599315755  0.000743654917  -0.001010143180
  24  Al  4.029055327834  4.011741785150  0.060686676558  0.074013904103  -0.065222851425  -0.212938297222  0.001086183025  -0.000634512043  0.005065145357
  25  Al  3.997949385316  6.081322009102  2.060508530713  0.070703157530  -0.112952525884  -0.131123337758  -0.001680427575  0.004626485649  0.004368325003
  26  Al  5.998126563985  4.059355404168  1.971301794923  0.012078281617  0.020264167468  0.098561664490  -0.002533211413  0.003690576269  -0.003196270350
  27  Al  6.005010581432  6.051180840584  0.049600386051  0.025974627186  -0.108898339975  -0.136346217026  -0.001885997244  0.001989601574  0.004207003239
  28  Al  4.029520081072  4.040979375771  4.058632346499  -0.030174880724  -0.013393217389  -0.188371599546  0.000975477613  0.002006219734  0.003307353538
  29  Al  3.971108614158  6.042401502726  6.098755877172  0.266540138629  -0.046802286722  -0.177019350640  -0.003747798420  0.001297965772  0.006066839443
  30  Al  6.040059654368  3.967995329820  6.037342403825  -0.021321720193  0.092365598092  0.001465578448  0.001132864445  -0.004295559430  0.000947609081
  31  Al  6.072602746703  6.006586947304  4.012815812915  -0.125301246701  0.074635401050  -0.127208438728  0.003853716811  -0.001695088703  -0.000632762719


MDSTEP:  24
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.030506624090  0.000000000000  0.000000000000
  0.000000000000  8.030506624090  0.000000000000
  0.000000000000  0.000000000000  8.030506624090
VIRIAL (kbar)
  -62.500981192043  -0.124802846459  0.031796589423
  -0.124802846459  -62.761531673470  -0.619540839918
  0.031796589423  -0.619540839918  -60.319375881385
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.978859818590  8.015257707217  8.005589308368  0.176298544906  0.015724853916  -0.109455291989  -0.004117798886  -0.001265775608  -0.002261833470
  1  Al  8.006714149355  1.972474107458  1.960048767586  0.147510951862  0.100194393800  0.019213894864  -0.001793175736  -0.002830313195  -0.003993491432
  2  Al  1.978039882564  7.981580816413  1.981905722992  0.061980604291  0.053083748113  0.123649759142  -0.002401509666  -0.004088859711  -0.001994129009
  3  Al  1.975784711793  1.992494874892  8.020614785136  0.029619316966  -0.024539307465  -0.178796128722  -0.002638938907  -0.001309496743  -0.001106151907
  4  Al  0.009074267818  7.992941142652  4.090208209258  0.115978312789  0.036228477414  -0.255292808999  0.000934945476  -0.003128116718  0.005980549169
  5  Al  0.006742520117  2.006686702579  6.051360580780  -0.011300049998  -0.040366265565  -0.096412406480  0.000546408909  -0.000132553930  0.002275821366
  6  Al  1.993628025131  8.023722861402  6.012050161940  -0.054229390131  0.187713755690  0.061293891492  -0.001273289697  -0.000294203588  -0.000839340220
  7  Al  2.003826351460  2.017658498661  4.044986569520  -0.035693165076  -0.079675161866  0.032686815935  -0.000368117016  0.000729764855  0.002565769771
  8  Al  8.009893982858  4.060537002681  7.965651124344  0.007793142315  -0.134947572484  0.152057314964  -0.001732182015  0.003625667194  -0.005269309512
  9  Al  0.015139640986  6.016651442709  2.003289251644  -0.000877485770  -0.011283836694  0.088946005617  0.001286765059  -0.000537105196  -0.000231659464
  10  Al  2.036472619238  3.962800881966  2.000681899879  -0.092605900218  0.347914242214  0.151277614462  0.002318751612  -0.003915733186  -0.000376006023
  11  Al  2.018572973164  6.038939573949  0.054943992321  -0.110116878911  0.002411463667  0.083141383062  0.000759265831  0.001372136502  0.004784665489
  12  Al  8.004476259573  4.032873169980  3.974316706119  0.203703497648  -0.005532800418  0.168987613206  -0.001913203953  0.001500847439  -0.003204892536
  13  Al  0.004263303150  6.005625781573  5.978860661259  -0.014189079576  0.017517197293  0.110879999862  0.000351402717  -0.001426813159  -0.003565450767
  14  Al  1.998812174288  3.995755441268  6.041800933302  -0.090152143336  -0.122040543322  -0.116713478548  -0.000887366278  -0.001832937269  0.001435554591
  15  Al  2.053354695107  6.029677051653  3.966020018138  -0.226323098998  -0.083219321798  0.000663863236  0.003538416594  0.000457784554  -0.004187057164
  16  Al  4.070562114046  0.059362366141  8.029022612822  -0.041235331609  -0.040133043401  0.156206176208  0.004609761909  0.004971956251  0.000102818270
  17  Al  3.950476732467  1.956473057072  1.999583954268  0.254859183616  0.106024579015  -0.013128391778  -0.005108783747  -0.004169430577  -0.000702590062
  18  Al  6.065815495354  7.980418373017  1.948898523106  -0.229019531144  0.016342918314  0.129807326205  0.003298087482  -0.004231987293  -0.004797156490
  19  Al  6.040740562396  2.064247418818  7.958726776125  -0.175785671294  -0.219562601320  0.067560062188  0.001249361010  0.004483564022  -0.006002868936
  20  Al  4.031957646741  0.061638132856  4.020884728084  -0.085345918564  -0.226181875333  -0.045064616935  0.001285286785  0.004884807611  0.000410203462
  21  Al  4.028272420647  1.990238041511  6.035784611716  0.028191594860  0.093532219446  0.114479409780  0.001140994696  -0.001344179361  0.001261347837
  22  Al  6.023594994154  0.005753107446  6.030016322018  0.014529711606  0.193228378953  0.065588100178  0.000091504935  0.000778188259  0.000702022064
  23  Al  6.067821211528  2.016667579954  3.999945544200  -0.154990765445  -0.015835050716  0.209146995904  0.003575050508  0.000741368380  -0.000973876032
  24  Al  4.026902322367  4.008733794684  0.063169120700  0.078351753768  -0.067394359316  -0.223871719483  0.001100577335  -0.000646820826  0.005029662937
  25  Al  3.994433742158  6.079555840748  2.061306359903  0.079400607888  -0.118732527090  -0.138546910721  -0.001668191999  0.004609037535  0.004347297277
  26  Al  5.992841809153  4.058481916439  1.968387288752  0.012363591254  0.017526176785  0.106857662377  -0.002532816954  0.003696565742  -0.003180159805
  27  Al  6.000045448291  6.048116581688  0.051664601532  0.023177059371  -0.115621312328  -0.146282545345  -0.001882935277  0.001970929556  0.004184702540
  28  Al  4.027306754879  4.039274502268  4.057558405558  -0.029095943985  -0.013753735047  -0.196974435459  0.000970866793  0.002005210686  0.003275230538
  29  Al  3.966586000752  6.039000076455  6.097695355476  0.280684333514  -0.049764513926  -0.185543702627  -0.003701509952  0.001290247592  0.006038705359
  30  Al  6.036578383539  3.963193133882  6.033771342402  -0.026926191051  0.102472416042  -0.003648379511  0.001129350713  -0.004281172561  0.000948083987
  31  Al  6.070455476932  6.001718388406  4.009805207737  -0.136555661548  0.078669007428  -0.132713072083  0.003833023925  -0.001682577259  -0.000656455203


MDSTEP:  25
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.024947354438  0.000000000000  0.000000000000
  0.000000000000  8.024947354438  0.000000000000
  0.000000000000  0.000000000000  8.024947354438
VIRIAL (kbar)
  -60.718659808476  -0.134257771092  0.035555111422
  -0.134257771092  -60.998744274955  -0.670679953205
  0.035555111422  -0.670679953205  -58.361605991695
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.971285240552  8.009076796415  7.998911458480  0.187307871253  0.016884810569  -0.114008771026  -0.004088296591  -0.001263786280  -0.002283474823
  1  Al  8.000281336534  1.969697917954  1.956695960745  0.154664513900  0.105396213302  0.021859697333  -0.001767464843  -0.002813999655  -0.003992742865
  2  Al  1.975472538443  7.974013318832  1.979542152608  0.061645131811  0.061850639181  0.129495735548  -0.002392212367  -0.004081575467  -0.001972950140
  3  Al  1.973098765882  1.990459675075  8.014501287196  0.028600698626  -0.026208728703  -0.184588441048  -0.002635664861  -0.001314994285  -0.001139460246
  4  Al  0.009540650238  7.985845408377  4.090355610874  0.121474369434  0.040381313040  -0.268999885321  0.000956866082  -0.003123556298  0.005938040602
  5  Al  0.007010557332  2.005229453875  6.048305037078  -0.009565074429  -0.043030149941  -0.102653919347  0.000544943074  -0.000140109321  0.002259685210
  6  Al  1.991608818069  8.018029571106  6.007471267407  -0.056059495238  0.194107051737  0.065647182889  -0.001284085580  -0.000260272042  -0.000828602332
  7  Al  2.002253507861  2.016623065844  4.043470721786  -0.039882336956  -0.083210005092  0.032796350054  -0.000375145486  0.000715732163  0.002573505166
  8  Al  8.003483223020  4.059532858315  7.957508840528  0.010397930943  -0.140952633004  0.160687924206  -0.001731823754  0.003603648220  -0.005245199171
  9  Al  0.015772516157  6.012217240238  2.001790579367  -0.001357156151  -0.011836600337  0.091741599472  0.001287507604  -0.000539566265  -0.000215669864
  10  Al  2.036218093073  3.958115199788  1.999115643139  -0.101204292529  0.360617464619  0.158537921264  0.002303116964  -0.003855235532  -0.000348573965
  11  Al  2.017550297799  6.035445193537  0.057302050832  -0.115707123480  0.000863704383  0.080148084638  0.000739625997  0.001373434323  0.004802772962
  12  Al  7.997987491612  4.030831528608  3.969970483968  0.214990002425  -0.009465101614  0.176227210500  -0.001877160521  0.001500605327  -0.003176366450
  13  Al  0.004435422557  6.000755636112  5.972943876629  -0.014754500022  0.018450124629  0.117609415120  0.000349071592  -0.001424641488  -0.003547627735
  14  Al  1.996980738697  3.992067364415  6.038330958724  -0.093499377810  -0.124813693528  -0.122690094149  -0.000904440491  -0.001856356341  0.001415195604
  15  Al  2.053692351355  6.025728072162  3.961180926223  -0.239035718338  -0.086831067367  0.007506251039  0.003499390050  0.000442911871  -0.004189392985
  16  Al  4.070047274018  0.061805504743  8.023522760587  -0.045524493126  -0.045495349511  0.160825933237  0.004605378869  0.004967939659  0.000131246399
  17  Al  3.945198886907  1.953038633358  1.997847816050  0.265998451417  0.111569754032  -0.012424666392  -0.005065943926  -0.004153024253  -0.000705389883
  18  Al  6.063255162556  7.972778473239  1.945156536638  -0.236803385322  0.022616241167  0.139903298446  0.003258843422  -0.004231602492  -0.004776549030
  19  Al  6.037175583682  2.065050419394  7.950218723261  -0.180150722774  -0.232485602764  0.077107512839  0.001218443892  0.004446420075  -0.005994327363
  20  Al  4.029805290345  0.064027807408  4.018304286862  -0.090058474189  -0.236816335059  -0.045501484497  0.001270541323  0.004846978243  0.000402404373
  21  Al  4.026055541295  1.988192338309  6.032242027635  0.027053252612  0.098729383938  0.117336187083  0.001146770989  -0.001327969456  0.001283003355
  22  Al  6.019471449533  0.006146860719  6.026195878134  0.015820310878  0.198553947129  0.067185939725  0.000094286215  0.000813796075  0.000714410459
  23  Al  6.065401282364  2.015641487638  3.996698904507  -0.160203780900  -0.017056247378  0.215795968861  0.003549480290  0.000738969803  -0.000936585758
  24  Al  4.024668423782  4.005632244934  0.065630267700  0.079041387359  -0.069808333792  -0.237552375685  0.001115459358  -0.000659564856  0.004992080432
  25  Al  3.990837955749  6.077646411836  2.062046881899  0.085235521076  -0.123773268703  -0.147299967269  -0.001654689995  0.004590725286  0.004324917254
  26  Al  5.987427270667  4.057521457873  1.965439299449  0.017650951650  0.013673513555  0.114894345238  -0.002531987661  0.003702063261  -0.003162657136
  27  Al  5.994951353319  6.044909976491  0.053714691318  0.025025945403  -0.121377173642  -0.159069490832  -0.001880003396  0.001951177755  0.004160459051
  28  Al  4.025002918570  4.037480248651  4.056378329816  -0.031208016747  -0.015113808688  -0.203023725873  0.000966184724  0.002004097567  0.003241856580
  29  Al  3.962001807848  6.035462377464  6.096485231600  0.290963602199  -0.051774142469  -0.193064336234  -0.003653097201  0.001282111726  0.006009268260
  30  Al  6.032962931514  3.958313489545  6.030068238622  -0.028095365397  0.112547424645  -0.008705578867  0.001125257130  -0.004265078316  0.000947673499
  31  Al  6.068163537131  5.996725795885  4.006695180286  -0.142760627574  0.083806655667  -0.135723820951  0.003810851306  -0.001669279005  -0.000680942832


MDSTEP:  26
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.019219342189  0.000000000000  0.000000000000
  0.000000000000  8.019219342189  0.000000000000
  0.000000000000  0.000000000000  8.019219342189
VIRIAL (kbar)
  -58.861411697527  -0.142533894395  0.041234797184
  -0.142533894395  -59.164939384880  -0.721364996884
  0.041234797184  -0.721364996884  -56.327680603124
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.963559709351  8.002728960235  7.992055174273  0.196019642933  0.017401376587  -0.116500718706  -0.004057109208  -0.001261676632  -0.002305818578
  1  Al  7.993694090269  1.966889675569  1.953303882127  0.159623934470  0.111901617932  0.024328590135  -0.001740694994  -0.002796696198  -0.003991634568
  2  Al  1.972869117392  7.966283595136  1.977148494101  0.064850753193  0.070623386875  0.135733150771  -0.002382710324  -0.004072817611  -0.001950723391
  3  Al  1.970373833820  1.988380251301  8.008202740903  0.030783429396  -0.026710254002  -0.187575162481  -0.002632349124  -0.001320722433  -0.001173606565
  4  Al  0.010017711376  7.978585299549  4.090393077331  0.124550120864  0.043739772777  -0.285110922910  0.000979593163  -0.003118397586  0.005892979770
  5  Al  0.007277603229  2.003726190981  6.045113183443  -0.010624648434  -0.044087351485  -0.108648007006  0.000543549960  -0.000148006574  0.002242498375
  6  Al  1.989542694900  8.012185031263  6.002771904004  -0.053968293442  0.198893856567  0.069865082260  -0.001294897750  -0.000225321761  -0.000817110288
  7  Al  2.000634989227  2.015537804821  4.041872835820  -0.040476272227  -0.085678582849  0.030301315448  -0.000382616190  0.000701169728  0.002581096306
  8  Al  7.996905065882  4.058430826198  7.949213489658  0.010544122549  -0.146478173677  0.171301194241  -0.001731261814  0.003580670306  -0.005219478905
  9  Al  0.016404964811  6.007655548086  2.000258012090  -0.003989224696  -0.013630040978  0.094421349170  0.001288004090  -0.000542252273  -0.000199183988
  10  Al  2.035911750631  3.953378448849  1.997521516425  -0.106986672384  0.373733027468  0.165874832951  0.002286241229  -0.003792478637  -0.000319824581
  11  Al  2.016474870017  6.031824009736  0.059666168298  -0.118104984835  -0.001933440480  0.078203851273  0.000719275336  0.001374378329  0.004820570523
  12  Al  7.991349729210  4.028704314597  3.965556473457  0.224112717061  -0.012729739152  0.181840376057  -0.001839311178  0.001499756316  -0.003146747819
  13  Al  0.004606136840  5.995760931382  5.966911938619  -0.017890161415  0.017880649681  0.124541075384  0.000346416321  -0.001422470753  -0.003528656975
  14  Al  1.995098934765  3.988284149001  6.034723075374  -0.093473528624  -0.125977152926  -0.128966376249  -0.000921846717  -0.001880190597  0.001393760465
  15  Al  2.053965526514  6.021644634673  3.956259126494  -0.248012327114  -0.091476502146  0.013361463634  0.003458480818  0.000427300545  -0.004190698048
  16  Al  4.069442876902  0.064243378626  8.017868576052  -0.047864457885  -0.051898197996  0.167110665235  0.004600513028  0.004962990129  0.000160674151
  17  Al  3.939861760469  1.949573031448  1.996068543332  0.279462503484  0.117901103299  -0.011443992635  -0.005020996509  -0.004135645752  -0.000708058505
  18  Al  6.060546233202  7.964972862719  1.941386057882  -0.248128486736  0.028755024915  0.150646015547  0.003217941354  -0.004230211479  -0.004754180093
  19  Al  6.033467579534  2.065789305090  7.941550269249  -0.187262577912  -0.244535272323  0.089200716312  0.001186507317  0.004407124496  -0.005983991542
  20  Al  4.027560173208  0.066395064160  4.015635292232  -0.092613760830  -0.248918682326  -0.047801194979  0.001255166158  0.004807206549  0.000394364637
  21  Al  4.023756447153  1.986113627878  6.028583118161  0.028386217753  0.104967095162  0.119895080556  0.001152597209  -0.001310757500  0.001305190913
  22  Al  6.015222748218  0.006558251953  6.022254740932  0.013336372299  0.202422880027  0.068483054391  0.000096965162  0.000850272727  0.000727084565
  23  Al  6.062839565404  2.014571502299  3.993387497867  -0.169066911480  -0.017394310232  0.220464109373  0.003522719500  0.000736448174  -0.000898278636
  24  Al  4.022356986608  4.002440213402  0.068068900386  0.082001987148  -0.071409775545  -0.250005317066  0.001130706364  -0.000672693719  0.004952255572
  25  Al  3.987165838922  6.075598215891  2.062730965168  0.093732564855  -0.129487547260  -0.155684988862  -0.001639936901  0.004571550509  0.004301094277
  26  Al  5.981888358964  4.056476979265  1.962460188769  0.020223210276  0.010003490960  0.123104075867  -0.002530517145  0.003706983195  -0.003143766290
  27  Al  5.989733399636  6.041565452574  0.055749516525  0.023664924839  -0.128549384321  -0.171227694387  -0.001877071962  0.001930303060  0.004134068962
  28  Al  4.022611677407  4.035599787953  4.055094876137  -0.031134092185  -0.015254505734  -0.210576609178  0.000961340666  0.002002898715  0.003207321057
  29  Al  3.957360241643  6.031793167086  6.095129779182  0.303971197728  -0.054787131268  -0.201338369401  -0.003602655672  0.001273552163  0.005978544544
  30  Al  6.029218134287  3.953360586688  6.026237580283  -0.032478855468  0.124505125201  -0.014067786273  0.001120691596  -0.004247106584  0.000946354185
  31  Al  6.065731316220  5.991614566597  4.003488755498  -0.153188443182  0.088207637246  -0.139728858469  0.003787268428  -0.001655158854  -0.000706092897


MDSTEP:  27
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.013329405148  0.000000000000  0.000000000000
  0.000000000000  8.013329405148  0.000000000000
  0.000000000000  0.000000000000  8.013329405148
VIRIAL (kbar)
  -56.933903052709  -0.152369330241  0.046390278166
  -0.152369330241  -57.257228302825  -0.774424050079
  0.046390278166  -0.774424050079  -54.215656974044
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.955690811343  7.996221059968  7.985027047699  0.208588883040  0.018459767403  -0.120456344601  -0.004024091947  -0.001259454783  -0.002328811481
  1  Al  7.986959666273  1.964051659526  1.949874448795  0.167786969973  0.117111541348  0.027053134165  -0.001712772732  -0.002778398793  -0.003990156733
  2  Al  1.970231604820  7.958399239008  1.974727004031  0.063651910389  0.081003646773  0.141282782852  -0.002373078675  -0.004062437819  -0.001927472195
  3  Al  1.967611809515  1.986258260870  8.001725697285  0.029187266112  -0.028640354434  -0.192347360582  -0.002629041545  -0.001326704149  -0.001208501219
  4  Al  0.010505726557  7.971167927660  4.090322592096  0.130803095187  0.048800156441  -0.299888378382  0.001003195535  -0.003112556805  0.005845263208
  5  Al  0.007543564379  2.002178524035  6.041789602990  -0.007515822191  -0.046994036905  -0.114993344685  0.000542352091  -0.000156267959  0.002224248568
  6  Al  1.987431545336  8.006196484555  5.997957559862  -0.055660448404  0.204693723883  0.075028831314  -0.001305713620  -0.000189403198  -0.000804789974
  7  Al  1.998972446592  2.014404201838  4.040196102046  -0.045422032743  -0.089485934381  0.029583839448  -0.000390597259  0.000686051638  0.002588467913
  8  Al  7.990166338827  4.057233830183  7.940772826127  0.014523279758  -0.152505827377  0.180902073171  -0.001730372039  0.003556727394  -0.005192056273
  9  Al  0.017036754099  6.002971318303  1.998693492173  -0.003687689612  -0.013968947921  0.096239684434  0.001288323437  -0.000545144063  -0.000182287930
  10  Al  2.035554785012  3.948595198269  1.995901877512  -0.116819436194  0.385772333555  0.172647049233  0.002268010850  -0.003727514781  -0.000289798924
  11  Al  2.015348182873  6.028080888388  0.062036179039  -0.124026663409  -0.003664378488  0.073795373003  0.000698182233  0.001374951076  0.004837929299
  12  Al  7.984570599454  4.026494647811  3.961078576723  0.236705027427  -0.017707291104  0.188647109856  -0.001799534799  0.001498205508  -0.003116071158
  13  Al  0.004775166426  5.990646726728  5.960770571894  -0.017465821637  0.019110489624  0.132616257626  0.000343524836  -0.001420273423  -0.003508414177
  14  Al  1.993168468784  3.984409097962  6.030981839774  -0.096838691195  -0.127985746636  -0.134546208873  -0.000939587099  -0.001904371990  0.001371281944
  15  Al  2.054175132378  6.017431439168  3.951258543346  -0.261389687891  -0.094863824881  0.021540562176  0.003415623907  0.000410969064  -0.004190849529
  16  Al  4.068752132062  0.066675425545  8.012067437055  -0.053665650818  -0.058341122006  0.171356109040  0.004595025743  0.004957007036  0.000191070146
  17  Al  3.934469952446  1.946078512242  1.994247927064  0.289673822932  0.123550678901  -0.010828156862  -0.004974017625  -0.004117281622  -0.000710603388
  18  Al  6.057692817608  7.957008899766  1.937589740804  -0.254861745201  0.036521365190  0.161181047190  0.003175470016  -0.004227677313  -0.004730005078
  19  Al  6.029621032286  2.066464714593  7.932729300699  -0.190685171063  -0.258371251537  0.100822717255  0.001153632514  0.004365589391  -0.005971670417
  20  Al  4.025225479446  0.068738833651  4.012880948897  -0.098478179809  -0.259741621369  -0.047868317586  0.001239056280  0.004765469322  0.000386116507
  21  Al  4.021378668177  1.984004168579  6.024813226376  0.025791463926  0.110095873783  0.122588882539  0.001158342721  -0.001292547208  0.001327896624
  22  Al  6.010853781393  0.006987625955  6.018198140228  0.014750144586  0.206788729026  0.070236979934  0.000099552787  0.000887534305  0.000740058732
  23  Al  6.060140390656  2.013459299827  3.990015145734  -0.173658954678  -0.019026035325  0.226135220682  0.003494819310  0.000733766112  -0.000859038927
  24  Al  4.019971685559  3.999160965398  0.070483918080  0.081195060053  -0.073375298152  -0.264434802824  0.001146184841  -0.000686167829  0.004910114714
  25  Al  3.983421556161  6.073415866107  2.063359574761  0.099112370215  -0.134442689222  -0.165710243523  -0.001623970749  0.004551516476  0.004275709683
  26  Al  5.976230412344  4.055351568286  1.959452387674  0.026882634886  0.004929259258  0.131250374286  -0.002528280593  0.003711213831  -0.003123473567
  27  Al  5.984396574781  6.038087487402  0.057768000006  0.025875663154  -0.134346863705  -0.185410792106  -0.001874107324  0.001908298699  0.004105401969
  28  Al  4.020136449243  4.033636520673  4.053710787329  -0.034362183529  -0.016904301786  -0.216440042561  0.000956233861  0.002001586872  0.003171636061
  29  Al  3.952665862971  6.027997292495  6.093633386313  0.313053470118  -0.056524246943  -0.208343929540  -0.003550286214  0.001264591756  0.005946574146
  30  Al  6.025348715792  3.948338893803  6.022284002926  -0.033590561050  0.136083074254  -0.019499558196  0.001115657985  -0.004227118055  0.000944091214
  31  Al  6.063163004505  5.986390203109  4.000188984680  -0.159452322334  0.093969132731  -0.142140547885  0.003762265486  -0.001640158690  -0.000731853121


MDSTEP:  28
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.007284588121  0.000000000000  0.000000000000
  0.000000000000  8.007284588121  0.000000000000
  0.000000000000  0.000000000000  8.007284588121
VIRIAL (kbar)
  -54.931213316139  -0.160518518818  0.053444953093
  -0.160518518818  -55.279520136205  -0.828032513367
  0.053444953093  -0.828032513367  -52.028475296253
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.947686699104  7.989560230656  7.977833764017  0.216445354813  0.019276514953  -0.123118509227  -0.003989315765  -0.001257092899  -0.002352468893
  1  Al  7.980085831112  1.961186086135  1.946409652140  0.171341264333  0.123958128987  0.030155526474  -0.001683820416  -0.002759073530  -0.003988249832
  2  Al  1.967561645883  7.950368209414  1.972279931437  0.067109665557  0.091751910783  0.147774423132  -0.002363292818  -0.004050255092  -0.001903170693
  3  Al  1.964814302283  1.984095288422  7.995076773530  0.032041832141  -0.029171108704  -0.195023316582  -0.002625680232  -0.001332941696  -0.001244117902
  4  Al  0.011005256233  7.963600779190  4.090146379539  0.132521572797  0.053190088223  -0.316387161001  0.001027552988  -0.003105938935  0.005794848210
  5  Al  0.007808720744  2.000587954457  6.038339020790  -0.009579638119  -0.047964720298  -0.121691940631  0.000541259407  -0.000164886318  0.002204869681
  6  Al  1.985276976014  8.000071490593  5.993033976743  -0.052264813746  0.208982882268  0.079475797463  -0.001316416224  -0.000152558273  -0.000791619163
  7  Al  1.997267198243  2.013223681270  4.038443986624  -0.045616139324  -0.091692787261  0.026829243333  -0.000399053467  0.000670399712  0.002595595323
  8  Al  7.983274436613  4.055944867683  7.932194733700  0.013737967793  -0.158440001750  0.191691924213  -0.001729236349  0.003531778805  -0.005162909576
  9  Al  0.017667915124  5.998169802526  1.997098941290  -0.007834669755  -0.015836797977  0.098809760176  0.001288329223  -0.000548248247  -0.000164990259
  10  Al  2.035148087122  3.943770028839  1.994259089759  -0.122456796314  0.397844692212  0.180353565034  0.002248435442  -0.003660430096  -0.000258461328
  11  Al  2.014171472287  6.024220962698  0.064411703246  -0.125506111112  -0.006888479858  0.069600470979  0.000676426802  0.001375113251  0.004854645439
  12  Al  7.977658263835  4.024205610446  3.956540911665  0.244882168115  -0.022142448488  0.194608233619  -0.001757911418  0.001495846650  -0.003084301097
  13  Al  0.004942550479  5.985418410701  5.954525768767  -0.021801182863  0.018340646587  0.139995731830  0.000340289303  -0.001418066399  -0.003486855123
  14  Al  1.991190799598  3.980445549930  6.027112042991  -0.095534221084  -0.128510918143  -0.141256615278  -0.000957547799  -0.001928843659  0.001347718467
  15  Al  2.054321749012  6.013093469058  3.946183416935  -0.269885515889  -0.099822900806  0.029609241031  0.003370856603  0.000393887778  -0.004189645936
  16  Al  4.067978059048  0.069101086250  8.006126766053  -0.055234978349  -0.065277532988  0.176711210892  0.004588982297  0.004949938447  0.000222353330
  17  Al  3.929027877790  1.942557326821  1.992387781427  0.304705935750  0.130320220346  -0.009469303993  -0.004924860077  -0.004097888438  -0.000712990286
  18  Al  6.054699611484  7.948894309618  1.933770271092  -0.266650004334  0.044669306783  0.172892569125  0.003131382735  -0.004223816630  -0.004703931800
  19  Al  6.025640926213  2.067077189812  7.923763881140  -0.198092090186  -0.271194454698  0.114477984085  0.001119790068  0.004321739101  -0.005957218387
  20  Al  4.022804212638  0.071058167512  4.010044775250  -0.099814981339  -0.271747601183  -0.049261943295  0.001222318541  0.004721768654  0.000377740218
  21  Al  4.018925498143  1.981866174501  6.020937879179  0.027815239738  0.116776334874  0.124433934405  0.001164068789  -0.001273296522  0.001351057297
  22  Al  6.006369959036  0.007435372720  6.014031517762  0.011300567230  0.209904222851  0.071234064555  0.000101962717  0.000925515256  0.000753306514
  23  Al  6.057308645116  2.012306498204  3.986585871167  -0.183077351512  -0.019208638782  0.230312250649  0.003465725640  0.000730936805  -0.000818907415
  24  Al  4.017515973375  3.995797846416  0.072874050297  0.084767472702  -0.075097768160  -0.278146928542  0.001161949702  -0.000699998491  0.004865538334
  25  Al  3.979609104484  6.071104220009  2.063933591731  0.109553726391  -0.140402933248  -0.174556514709  -0.001606614919  0.004530596699  0.004248717098
  26  Al  5.970459301407  4.054148305396  1.956418373898  0.029672326368  -0.000425359773  0.140410798851  -0.002525256264  0.003714601835  -0.003101689914
  27  Al  5.978946353340  6.034480854327  0.059768889263  0.023787374461  -0.141756164487  -0.199720818152  -0.001871173176  0.001885140335  0.004074259893
  28  Al  4.017580471550  4.031593828558  4.052229075309  -0.033221239421  -0.017613945092  -0.223054355601  0.000950958688  0.002000109744  0.003134880940
  29  Al  3.947922990014  6.024079886936  6.092000732923  0.327158571993  -0.059680075616  -0.216873437592  -0.003495884434  0.001255216194  0.005913327978
  30  Al  6.021359864218  3.943252953190  6.018212307355  -0.039077348997  0.149424442857  -0.026076748381  0.001110056315  -0.004204983791  0.000940774486
  31  Al  6.060463340005  5.981058497552  3.996799174392  -0.171193957836  0.098435245588  -0.144739136861  0.003735720311  -0.001624270251  -0.000758098963


MDSTEP:  29
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.001092155730  0.000000000000  0.000000000000
  0.000000000000  8.001092155730  0.000000000000
  0.000000000000  0.000000000000  8.001092155730
VIRIAL (kbar)
  -52.859919490484  -0.170544135535  0.059707111317
  -0.170544135535  -53.228162384722  -0.883770172062
  0.059707111317  -0.883770172062  -49.764954835551
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.939555317972  7.982753803827  7.970482340985  0.228477467010  0.020336200498  -0.126305439291  -0.003952823094  -0.001254589829  -0.002376722174
  1  Al  7.973080156581  1.958295369053  1.942911566866  0.178559600385  0.129672658422  0.033524478286  -0.001653919276  -0.002738671771  -0.003985853218
  2  Al  1.964861353671  7.942198712479  1.969809661710  0.066663551870  0.103813298411  0.153793474666  -0.002353283323  -0.004036114441  -0.001877773698
  3  Al  1.961983370677  1.981893096903  7.988262992731  0.031443180290  -0.030858325865  -0.198434819395  -0.002622174074  -0.001339412984  -0.001280336346
  4  Al  0.011516456626  7.955891496244  4.089866628380  0.137673705560  0.059061956983  -0.332428938752  0.001052568140  -0.003098468457  0.005741613442
  5  Al  0.008072890612  1.998956211557  6.034766298362  -0.007333535823  -0.050552666214  -0.128792405477  0.000540194433  -0.000173833724  0.002184290945
  6  Al  1.983081101708  7.993817693166  5.988006996007  -0.052059566174  0.213845101216  0.084621577429  -0.001326835419  -0.000114868293  -0.000777597654
  7  Al  1.995521041753  2.011997866598  4.036619886941  -0.049656863313  -0.095224685944  0.024880761900  -0.000407904388  0.000654236998  0.002602366895
  8  Al  7.976236545528  4.054567059413  7.923487414983  0.017133986785  -0.164573530764  0.202467669490  -0.001727905531  0.003505810817  -0.005131927661
  9  Al  0.018298083031  5.993256279850  1.995476402876  -0.008627806547  -0.016526769997  0.100431097903  0.001287922460  -0.000551596181  -0.000147307361
  10  Al  2.034692981105  3.938907628576  1.992595654355  -0.131921750344  0.409179148335  0.187413410190  0.002227544456  -0.003591280434  -0.000225783392
  11  Al  2.012946427406  6.020249399092  0.066792386578  -0.130106561635  -0.009345128191  0.063820896253  0.000654125230  0.001374798736  0.004870593436
  12  Al  7.970620706174  4.021840445122  3.951947625991  0.256871387365  -0.028031833003  0.200883374457  -0.001714490418  0.001492596467  -0.003051480830
  13  Al  0.005107903131  5.980081355990  5.948183619298  -0.022294992341  0.019252985577  0.148490809736  0.000336626959  -0.001415877049  -0.003463937944
  14  Al  1.989167857364  3.976397083712  6.023118541934  -0.097137130027  -0.129465728865  -0.147252954961  -0.000975571597  -0.001953511481  0.001323029945
  15  Al  2.054406452841  6.008635732802  3.941038081812  -0.282268905752  -0.103514744613  0.039132046322  0.003324262007  0.000376027801  -0.004186963235
  16  Al  4.067124171925  0.071519764132  8.000054304509  -0.060656613127  -0.072784695719  0.180787222567  0.004582412940  0.004941684778  0.000254510569
  17  Al  3.923540485183  1.939011875599  1.990490041044  0.316033067419  0.136414549479  -0.008192087880  -0.004873416850  -0.004077422044  -0.000715159571
  18  Al  6.051571028171  7.940637065723  1.929930487966  -0.274260724724  0.054027375677  0.184627996314  0.003085595665  -0.004218483092  -0.004675847122
  19  Al  6.021532056121  2.067627424420  7.914662467530  -0.202007241945  -0.285529226513  0.128426088041  0.001084932852  0.004275522325  -0.005940421177
  20  Al  4.020299892861  0.073352018438  4.007130281606  -0.104836278944  -0.282805356403  -0.049310773400  0.001205026276  0.004676076885  0.000369236670
  21  Al  4.016400755151  1.979702051509  6.016962694048  0.025642210133  0.122407803246  0.126210774478  0.001169812628  -0.001252957928  0.001374591490
  22  Al  6.001776421315  0.007901771320  6.009760413361  0.011266783944  0.213162796861  0.072475037155  0.000104065390  0.000964118292  0.000766782383
  23  Al  6.054348954155  2.011114900935  3.983103672031  -0.188686744384  -0.020679031572  0.234758792849  0.003435342950  0.000727973959  -0.000777990511
  24  Al  4.014993805627  3.992354332779  0.075238097693  0.084207199642  -0.076662257329  -0.293082321694  0.001178023219  -0.000714150313  0.004818474011
  25  Al  3.975733041003  6.068668216489  2.064454063494  0.116565420893  -0.145619293005  -0.184986430168  -0.001587720497  0.004508763200  0.004220075036
  26  Al  5.964580712237  4.052870360869  1.953360766397  0.036204241027  -0.006798140172  0.149510512058  -0.002521453153  0.003717028146  -0.003078325844
  27  Al  5.973387987852  6.030750350241  0.061750926228  0.024800326955  -0.147975724894  -0.215206579331  -0.001868375324  0.001860786996  0.004040520159
  28  Al  4.014947483643  4.029475290042  4.050652799403  -0.035711887652  -0.019502975295  -0.228834862753  0.000945580105  0.001998444439  0.003097058516
  29  Al  3.943136494619  6.020046123482  6.090236535926  0.336972713696  -0.061660011912  -0.224144637047  -0.003439378455  0.001245402180  0.005878775886
  30  Al  6.017256543034  3.938107568837  6.014027358103  -0.041680837993  0.162629727450  -0.032681509253  0.001103751733  -0.004180552777  0.000936297483
  31  Al  6.057636741205  5.975625288772  3.993322723643  -0.179267402250  0.104306524114  -0.146602260692  0.003707466172  -0.001607481219  -0.000784782479


MDSTEP:  30
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.994759585153  0.000000000000  0.000000000000
  0.000000000000  7.994759585153  0.000000000000
  0.000000000000  0.000000000000  7.994759585153
VIRIAL (kbar)
  -50.714963153641  -0.178560885152  0.068410308152
  -0.178560885152  -51.107567794570  -0.937701822171
  0.068410308152  -0.937701822171  -47.427880281294
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.931305193315  7.975809343514  7.962979958922  0.239005799730  0.020483959187  -0.128777325967  -0.003914369282  -0.001252004344  -0.002401554318
  1  Al  7.965950752004  1.955381869883  1.939382339088  0.183867412659  0.136512603393  0.036364075096  -0.001622909250  -0.002717190483  -0.003982987239
  2  Al  1.962132542031  7.933899278592  1.967318588288  0.069252143637  0.115972036050  0.159416513431  -0.002343125729  -0.004019884783  -0.001851355599
  3  Al  1.959120813988  1.979653397200  7.981291523362  0.033954051214  -0.031786242834  -0.200474935311  -0.002618551793  -0.001346153131  -0.001317100967
  4  Al  0.012039792151  7.948048061600  4.089485682918  0.141062011050  0.064061957034  -0.349570778998  0.001078391309  -0.003090087714  0.005685492849
  5  Al  0.008336278339  1.997284933039  6.031076423927  -0.007036190396  -0.052027469187  -0.135262434747  0.000539367960  -0.000183155825  0.002162529433
  6  Al  1.980845803389  7.987442999315  5.982882679709  -0.048276651238  0.216863440867  0.090483659127  -0.001336935923  -0.000076444439  -0.000762597032
  7  Al  1.993735483454  2.010728317043  4.034727382264  -0.050520605261  -0.097899011849  0.021658076098  -0.000417210367  0.000637520099  0.002608739051
  8  Al  7.969060435808  4.053103619667  7.914659276474  0.018597224382  -0.169920300292  0.214157101252  -0.001726177113  0.003478871628  -0.005099023752
  9  Al  0.018927194576  5.988236293341  1.993827888301  -0.011244839382  -0.018163964263  0.101518654115  0.001287238769  -0.000555167224  -0.000129370616
  10  Al  2.034190505323  3.934012720138  1.990914067208  -0.138671492441  0.420853262818  0.193912803153  0.002205234897  -0.003520094206  -0.000191870345
  11  Al  2.011674512624  6.016171593917  0.069177739601  -0.131499352470  -0.012745380710  0.057327746779  0.000631283374  0.001373990458  0.004885564596
  12  Al  7.963466460863  4.019402372797  3.947302997194  0.267122589488  -0.033073439332  0.206645584218  -0.001669081720  0.001488398845  -0.003017623775
  13  Al  0.005271182436  5.974641243090  5.941750467680  -0.024634106794  0.018951409485  0.157718861660  0.000332715602  -0.001413662471  -0.003439492855
  14  Al  1.987101364291  3.972267343516  6.019006418825  -0.095353934195  -0.128432607881  -0.152977926098  -0.000993615897  -0.001978236065  0.001297301591
  15  Al  2.054430030941  6.004063512244  3.935827103010  -0.291489357945  -0.108141416509  0.049376776607  0.003275769495  0.000357417163  -0.004182602686
  16  Al  4.066193753073  0.073930818475  7.993857892136  -0.065045386297  -0.081680650031  0.185184854806  0.004575061739  0.004932066144  0.000287458234
  17  Al  3.918012491117  1.935444545914  1.988556685418  0.329329762613  0.143464562749  -0.007210562674  -0.004819835715  -0.004055852840  -0.000717144433
  18  Al  6.048312018616  7.932245456404  1.926073279195  -0.284956762395  0.063315162771  0.196514094599  0.003038200972  -0.004211570500  -0.004645729398
  19  Al  6.017299690240  2.068116036443  7.905433747211  -0.208417589743  -0.299047923791  0.144192725554  0.001049146868  0.004226869981  -0.005921083315
  20  Al  4.017715818922  0.075619430810  4.004141205380  -0.108216428440  -0.295322707997  -0.049742146257  0.001186994694  0.004628341468  0.000360691192
  21  Al  4.013807989950  1.977514162910  6.012893443454  0.024917100789  0.129012634974  0.128135282166  0.001175327883  -0.001231535543  0.001398506767
  22  Al  5.997078773289  0.008387114570  6.005390549004  0.007861644200  0.214524401072  0.073918467426  0.000105864554  0.001003188166  0.000780526546
  23  Al  6.051266448139  2.009886250576  3.979572675068  -0.197487233806  -0.021239968619  0.238024366741  0.003403721790  0.000724843011  -0.000736366722
  24  Al  4.012408876184  3.988834020354  0.077574758671  0.085187696963  -0.077044040929  -0.307961312057  0.001194173777  -0.000728503819  0.004768810008
  25  Al  3.971797720151  6.066113026836  2.064921955141  0.125884561169  -0.151543434948  -0.195976833397  -0.001567384676  0.004486014478  0.004189586278
  26  Al  5.958600821368  4.051520925339  1.950282227372  0.040273208344  -0.013129571566  0.158243485182  -0.002516754358  0.003718402251  -0.003053415185
  27  Al  5.967727164883  6.026901040617  0.063712753598  0.022751520892  -0.155627921870  -0.231476716285  -0.001865708983  0.001835213637  0.004004001108
  28  Al  4.012241007823  4.027284487192  4.048985204438  -0.036530523754  -0.020314348668  -0.234715636105  0.000939921898  0.001996580303  0.003058229751
  29  Al  3.938310965987  6.015901441565  6.088345792654  0.348785420023  -0.064565148868  -0.231365552563  -0.003380966733  0.001235170503  0.005843028372
  30  Al  6.013044134464  3.932907632864  6.009734177946  -0.047395396054  0.178283314256  -0.039219602686  0.001096722270  -0.004153612441  0.000930661918
  31  Al  6.054688119332  5.970096698269  3.989763202641  -0.191076296543  0.109406805489  -0.148061364866  0.003677491908  -0.001589732305  -0.000811802801


MDSTEP:  31
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.988294558244  0.000000000000  0.000000000000
  0.000000000000  7.988294558244  0.000000000000
  0.000000000000  0.000000000000  7.988294558244
VIRIAL (kbar)
  -48.504059481084  -0.187820481446  0.075856950122
  -0.187820481446  -48.915245484294  -0.995432102218
  0.075856950122  -0.995432102218  -45.016041215001
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.922944914860  7.968734535094  7.955334063557  0.251409891151  0.022269091738  -0.131292619339  -0.003873915055  -0.001249270528  -0.002426905204
  1  Al  7.958705758002  1.952448097966  1.935824113083  0.191166635483  0.142165132506  0.041241599376  -0.001590779705  -0.002694631511  -0.003979513744
  2  Al  1.959377343837  7.925478645728  1.964809117514  0.066163434802  0.130761634091  0.166695569324  -0.002333054225  -0.004001316902  -0.001823800424
  3  Al  1.956228756899  1.977378017389  7.974169859653  0.031030078499  -0.033888939329  -0.202416588100  -0.002615019327  -0.001353198907  -0.001354281483
  4  Al  0.012575570846  7.940078580326  4.089005899990  0.145879216977  0.071516696606  -0.366943288188  0.001104993625  -0.003080651898  0.005626358649
  5  Al  0.008598914857  1.995575907107  6.027274598820  -0.004821354002  -0.054616463118  -0.143828489051  0.000538776993  -0.000192853317  0.002139450641
  6  Al  1.978573331255  7.980955355448  5.977667306257  -0.049516273869  0.221371307264  0.094898322333  -0.001346846229  -0.000037316050  -0.000746680680
  7  Al  1.991912364345  2.009416720721  4.032770043918  -0.057056249461  -0.101436231713  0.018394805896  -0.000427195056  0.000620246906  0.002614592367
  8  Al  7.961753907118  4.051557940602  7.905719003516  0.022256678850  -0.176916852820  0.225784108383  -0.001724025948  0.003450879685  -0.005064115183
  9  Al  0.019555025285  5.983115454129  1.992155412031  -0.012362176945  -0.018618818856  0.103738807457  0.001286248014  -0.000558940316  -0.000111125377
  10  Al  2.033641995349  3.929090153232  1.989216824732  -0.151164133640  0.430492026939  0.202294993811  0.002181232296  -0.003447015836  -0.000156601256
  11  Al  2.010357531381  6.011993014609  0.071567215847  -0.138230012360  -0.015206059616  0.049993819877  0.000607708826  0.001372686668  0.004899416411
  12  Al  7.956204108844  4.016894794675  3.942611354649  0.279734705283  -0.040667029759  0.212619369006  -0.001621624804  0.001483099364  -0.002982752476
  13  Al  0.005432181974  5.969103795442  5.935232872062  -0.025077334173  0.019973079915  0.165932349072  0.000328559147  -0.001411411808  -0.003413540341
  14  Al  1.984993395245  3.968060251045  6.014780935715  -0.098791437041  -0.129000616127  -0.160620608511  -0.001011844915  -0.002002982605  0.001270383270
  15  Al  2.054393609395  5.999382159830  3.930555206519  -0.306177307599  -0.111868759710  0.060629221831  0.003225166993  0.000338050995  -0.004176405140
  16  Al  4.065190286108  0.076333491468  7.987545602184  -0.070841719100  -0.089342863733  0.188820630883  0.004566891091  0.004921063751  0.000321158871
  17  Al  3.912448883180  1.931857855756  1.986589717795  0.340495283360  0.149498959678  -0.004483631286  -0.004764123694  -0.004033181555  -0.000718814656
  18  Al  6.044927416190  7.923727962379  1.922201590359  -0.289782753833  0.075167627439  0.210234888153  0.002989442216  -0.004202851259  -0.004613394864
  19  Al  6.012949029060  2.068543774440  7.896086766269  -0.209398585311  -0.314554444641  0.160262517401  0.001012691472  0.004175670206  -0.005899008021
  20  Al  4.015055540523  0.077859325519  4.001081352727  -0.113298605649  -0.306013031088  -0.049490739131  0.001168216129  0.004578588303  0.000352129981
  21  Al  4.011150986682  1.975305008273  6.008736068342  0.022399127885  0.134522389876  0.128152803820  0.001180582953  -0.001209037560  0.001422646199
  22  Al  5.992282472245  0.008891526742  6.000927819256  0.009724731925  0.217372597297  0.073950202084  0.000107529609  0.001042689601  0.000794431151
  23  Al  6.048066130780  2.008622423215  3.975997002330  -0.200654509582  -0.023169678761  0.241358449476  0.003371075834  0.000721502108  -0.000694132622
  24  Al  4.009765120535  3.985240712175  0.079882743861  0.084172481827  -0.079025581878  -0.323427831239  0.001210360648  -0.000743096614  0.004716491205
  25  Al  3.967807802617  6.063443919159  2.065338239021  0.133490612051  -0.156534361779  -0.205792080522  -0.001545551119  0.004462365879  0.004157300054
  26  Al  5.952525735068  4.050103300708  1.947185432876  0.050046529962  -0.021593994141  0.168957807855  -0.002510867300  0.003718533719  -0.003026809055
  27  Al  5.961969448091  6.022938019177  0.065652949892  0.026134743344  -0.161745581036  -0.248501934020  -0.001862960889  0.001808425972  0.003964558382
  28  Al  4.009464819593  4.025025203614  4.047229633332  -0.039479083704  -0.023061555038  -0.240268414058  0.000933941989  0.001994438977  0.003018410384
  29  Al  3.933451268999  6.011651353262  6.086333667082  0.358251836306  -0.066168041193  -0.240055641742  -0.003320673900  0.001224553245  0.005805951988
  30  Al  6.008727897714  3.927658352531  6.005337950449  -0.048067047916  0.192395757849  -0.047738513328  0.001089139037  -0.004124075520  0.000923694733
  31  Al  6.051622210644  5.964478929723  3.986124319161  -0.197637403521  0.115922603135  -0.149099887519  0.003645927511  -0.001570963196  -0.000839087098


MDSTEP:  32
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.981704951569  0.000000000000  0.000000000000
  0.000000000000  7.981704951569  0.000000000000
  0.000000000000  0.000000000000  7.981704951569
VIRIAL (kbar)
  -46.219712975108  -0.195044295731  0.086662166523
  -0.195044295731  -46.655503256744  -1.051241412554
  0.086662166523  -1.051241412554  -42.533826157884
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.914483428826  7.961537403207  7.947552288146  0.259967097715  0.022531085810  -0.132841956813  -0.003831630570  -0.001246377055  -0.002452692166
  1  Al  7.951353685372  1.949496501093  1.932239258214  0.194102199713  0.149710056267  0.044291930245  -0.001557739374  -0.002670928040  -0.003975410454
  2  Al  1.956597429610  7.916945975909  1.962283849596  0.069596291193  0.144878551497  0.172660078080  -0.002322991333  -0.003980230065  -0.001795074210
  3  Al  1.953308883061  1.975068727288  7.966905697725  0.034665449863  -0.034226810436  -0.202984155551  -0.002611474220  -0.001360497165  -0.001391747191
  4  Al  0.013124229875  7.931991567142  4.088429721753  0.146994276826  0.077391193769  -0.385192505307  0.001132172813  -0.003070079344  0.005564102772
  5  Al  0.008861003318  1.993830870827  6.023365986292  -0.006644490922  -0.055431595683  -0.150676939304  0.000538231684  -0.000202867804  0.002115017118
  6  Al  1.976265533325  7.974363035448  5.972367169504  -0.043521975603  0.223446286362  0.100894496446  -0.001356367873  0.000002434802  -0.000729834618
  7  Al  1.990053066484  2.008064738326  4.030751540668  -0.056693444942  -0.103794321264  0.013787949662  -0.000437749471  0.000602444056  0.002619801030
  8  Al  7.954325147673  4.049933369475  7.896675462995  0.021909312848  -0.182652846901  0.238426265616  -0.001721612324  0.003421795684  -0.005027110011
  9  Al  0.020181486613  5.977899624288  1.990461138138  -0.017295069917  -0.020696601692  0.104258394232  0.001284741868  -0.000562954811  -0.000092621324
  10  Al  2.033048325336  3.924144687343  1.987506639838  -0.157205744233  0.441076215497  0.208729015854  0.002155595986  -0.003372135674  -0.000119979187
  11  Al  2.008996859670  6.007719360615  0.073960200602  -0.138224074810  -0.019610593189  0.041792672504  0.000583524629  0.001370796108  0.004911992340
  12  Al  7.948842634125  4.014320983315  3.937877139381  0.287688410476  -0.046670081505  0.217932118095  -0.001572320239  0.001476609825  -0.002946902704
  13  Al  0.005590865318  5.963474998748  5.928637440795  -0.029681883464  0.019040651527  0.175911826726  0.000323954358  -0.001409180379  -0.003386008417
  14  Al  1.982845605747  3.963779679550  6.010447331296  -0.095071258895  -0.126886211582  -0.166129455199  -0.001030085641  -0.002027654072  0.001242291254
  15  Al  2.054297879245  5.994597255079  3.925227299751  -0.314103125837  -0.116826428873  0.072298424196  0.003172564077  0.000317897980  -0.004168238440
  16  Al  4.064117232842  0.078727142773  7.981125634683  -0.073404692349  -0.099129856292  0.192876263318  0.004558060072  0.004908592826  0.000355583753
  17  Al  3.906854548443  1.928254274980  1.984591345125  0.356224870683  0.157146729639  -0.003122723300  -0.004706055675  -0.004009350012  -0.000720135609
  18  Al  6.041422729818  7.915093482273  1.918318572842  -0.301520741799  0.086481800527  0.222770687103  0.002939220883  -0.004192139277  -0.004578778916
  19  Al  6.008485906275  2.068911264364  7.886630783971  -0.216495707176  -0.328407417766  0.178602451033  0.000975502411  0.004121885822  -0.005873957737
  20  Al  4.012322554410  0.080070793814  3.997954688790  -0.114638543351  -0.318593891972  -0.049688127650  0.001148870800  0.004526804671  0.000343573344
  21  Al  4.008433468215  1.973077036036  6.004496487047  0.023453388815  0.141895713392  0.129338731752  0.001185736163  -0.001185392518  0.001446943963
  22  Al  5.987393592609  0.009415266159  5.996378139541  0.004536397811  0.217466593585  0.075194064943  0.000108900949  0.001082510552  0.000808478528
  23  Al  6.044753660586  2.007325222321  3.972380877962  -0.210839616754  -0.023112991837  0.243324186680  0.003337276631  0.000718005667  -0.000651401665
  24  Al  4.007066394716  3.981578164670  0.082160718586  0.086616146823  -0.079242906982  -0.339151873693  0.001226714577  -0.000757914301  0.004661434226
  25  Al  3.963767890922  6.060666397694  2.065704047477  0.145790263029  -0.162895252567  -0.217236026632  -0.001521949951  0.004437773465  0.004123169987
  26  Al  5.946362211963  4.048620700875  1.944073280209  0.053927841321  -0.029584373468  0.178555255661  -0.002503805740  0.003717270526  -0.002998425435
  27  Al  5.956121030054  6.018866665691  0.067570032110  0.022778066538  -0.169926868334  -0.266373243456  -0.001860246539  0.001780373235  0.003922041808
  28  Al  4.006622602801  4.022701150114  4.045389560400  -0.037925736155  -0.024213026283  -0.245903152799  0.000927851347  0.001991988330  0.002977617779
  29  Al  3.928562150821  6.007301634961  6.084205346607  0.372230564719  -0.069517806341  -0.247347389845  -0.003258299734  0.001213509005  0.005767533649
  30  Al  6.004313690478  3.922364888543  6.000843829462  -0.055591088286  0.209792649554  -0.055352092345  0.001080838640  -0.004091779726  0.000915297643
  31  Al  6.048444372098  5.958778456986  3.982409914965  -0.211623383880  0.120562355539  -0.149645170253  0.003612573019  -0.001551212307  -0.000866554443


MDSTEP:  33
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.974998829028  0.000000000000  0.000000000000
  0.000000000000  7.974998829028  0.000000000000
  0.000000000000  0.000000000000  7.974998829028
VIRIAL (kbar)
  -43.870053509282  -0.203926394639  0.096775739431
  -0.203926394639  -44.325387737762  -1.109241971447
  0.096775739431  -1.109241971447  -39.980500740047
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.905929518894  7.954226021789  7.939642536211  0.272392815178  0.023141859716  -0.134812340484  -0.003787507824  -0.001243427819  -0.002478866183
  1  Al  7.943902839578  1.946529738958  1.928630021438  0.200688851817  0.156026957458  0.049079643777  -0.001523848724  -0.002646016775  -0.003970681866
  2  Al  1.953795096191  7.908310552405  1.959745311195  0.068446786814  0.160488527074  0.179607151877  -0.002312761566  -0.003956544980  -0.001765203162
  3  Al  1.950363505460  1.972727499360  7.959507042140  0.034061593298  -0.035977605066  -0.203719793321  -0.002607706962  -0.001368015998  -0.001429391035
  4  Al  0.013685876895  7.923795578245  4.087759614291  0.151208239359  0.084583185400  -0.403442792516  0.001159875748  -0.003058389941  0.005498637448
  5  Al  0.009122386693  1.992051766455  6.019356046926  -0.004737024443  -0.057558914873  -0.159211845854  0.000537704182  -0.000213158543  0.002089227946
  6  Al  1.973924949257  7.967674282701  5.966988844010  -0.041362537395  0.225493568130  0.106117005210  -0.001365195931  0.000042590225  -0.000711984556
  7  Al  1.988159634895  2.006674183821  4.028675518629  -0.061043925297  -0.107056645512  0.009480795551  -0.000448678805  0.000584134509  0.002624269467
  8  Al  7.946782172260  4.048233465176  7.887537792215  0.025382013527  -0.188671336489  0.250945799092  -0.001718951395  0.003391702522  -0.004987921474
  9  Al  0.020806150798  5.972594660495  1.988747125204  -0.019103672545  -0.021564229843  0.105481501297  0.001282657077  -0.000567247612  -0.000073946577
  10  Al  2.032410996320  3.919181254558  1.985786097666  -0.168089886418  0.450730700594  0.216390859774  0.002128465803  -0.003295445257  -0.000082065774
  11  Al  2.007594523618  6.003356300113  0.076356008705  -0.142111021358  -0.022904933979  0.032086395709  0.000558983177  0.001368242647  0.004923076114
  12  Al  7.941390788910  4.011684449315  3.933104822344  0.299912870098  -0.054071982008  0.223611124328  -0.001521197918  0.001468945002  -0.002910096402
  13  Al  0.005746824519  5.957760802404  5.921971075424  -0.030452693273  0.019627301777  0.185404375617  0.000318871120  -0.001407006023  -0.003356777759
  14  Al  1.980660336685  3.959429832983  6.006011177550  -0.095292977783  -0.124840630688  -0.173196105512  -0.001048050488  -0.002052016223  0.001213073989
  15  Al  2.054144187966  5.989714408629  3.919848414905  -0.326525066616  -0.120836632079  0.085760516268  0.003118157240  0.000296931066  -0.004157899925
  16  Al  4.062978444603  0.081110949400  7.974606414780  -0.079675041808  -0.109309287469  0.195734903206  0.004548522120  0.004894422947  0.000390665179
  17  Al  3.901234868294  1.924636458418  1.982563698034  0.368030460745  0.163804029312  -0.000413997612  -0.004645566608  -0.003984297657  -0.000721108153
  18  Al  6.037802995727  7.906351047720  1.914427311956  -0.308231612809  0.099152505071  0.236968078475  0.002887362949  -0.004179356200  -0.004541832244
  19  Al  6.003915751049  2.069219333281  7.877075441103  -0.218933992427  -0.343993452920  0.197193372047  0.000937446477  0.004065502299  -0.005845699151
  20  Al  4.009520787392  0.082252764999  3.994765232841  -0.119409673029  -0.330691857404  -0.048723277095  0.001128984418  0.004472857545  0.000335084502
  21  Al  4.005659572140  1.970832906159  6.000180864789  0.020516079304  0.147907348317  0.128962155708  0.001190749290  -0.001160552699  0.001471364928
  22  Al  5.982417719045  0.009958346176  5.991747675217  0.003518139335  0.217532272426  0.075227631088  0.000109720582  0.001122403305  0.000822668974
  23  Al  6.041334214362  2.005996676864  3.968728496114  -0.216122398782  -0.024717975193  0.245357317704  0.003302130201  0.000714381941  -0.000608287552
  24  Al  4.004316959321  3.977850384648  0.084407332402  0.085207702978  -0.079322030884  -0.355610542786  0.001243200348  -0.000772787003  0.004603542346
  25  Al  3.959683098488  6.057785991451  2.066020420393  0.154691929566  -0.168301699654  -0.228347561539  -0.001496461677  0.004412195089  0.004087074183
  26  Al  5.940116620727  4.047076481227  1.940948609058  0.062487879021  -0.038569136463  0.189315249059  -0.002495675091  0.003714562215  -0.002968255377
  27  Al  5.950187638524  6.014692318760  0.069462447638  0.023545848705  -0.176861779337  -0.285496314545  -0.001857798465  0.001750978795  0.003876256505
  28  Al  4.003718538850  4.020316276778  4.043468551035  -0.040517674919  -0.026086418341  -0.250748351435  0.000921680864  0.001989304733  0.002935910580
  29  Al  3.923648850399  6.002858049256  6.081966292955  0.381899735075  -0.071458738045  -0.255482018930  -0.003193819388  0.001202005859  0.005727816194
  30  Al  5.999806899986  3.917032782697  5.996257191617  -0.059058826284  0.227285666565  -0.064237373369  0.001071569254  -0.004056416030  0.000905435615
  31  Al  6.045159442925  5.953001724270  3.978623968534  -0.221322919632  0.127021364406  -0.149281560789  0.003577142216  -0.001530481940  -0.000894080109


MDSTEP:  34
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.968184431032  0.000000000000  0.000000000000
  0.000000000000  7.968184431032  0.000000000000
  0.000000000000  0.000000000000  7.968184431032
VIRIAL (kbar)
  -41.452086462450  -0.209972538040  0.107734249434
  -0.209972538040  -41.929929619894  -1.164743154624
  0.107734249434  -1.164743154624  -37.358479922277
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.897292485157  7.946808670588  7.931612846620  0.283212866784  0.023938503842  -0.135640761760  -0.003741338288  -0.001240373941  -0.002505362386
  1  Al  7.936362026476  1.943550401485  1.924998843195  0.205287773312  0.163336981429  0.052929616751  -0.001488955771  -0.002619914738  -0.003965252857
  2  Al  1.950972271334  7.899581962493  1.957196158105  0.069739952880  0.177436134864  0.185983135280  -0.002302554085  -0.003930002327  -0.001734146986
  3  Al  1.947394598286  1.970356221875  7.951982057112  0.035990793410  -0.037023846513  -0.202590776807  -0.002603867931  -0.001375818278  -0.001467061900
  4  Al  0.014260898144  7.915499459504  4.086998140472  0.153558614946  0.091984563416  -0.422947781275  0.001188213660  -0.003045443447  0.005429840900
  5  Al  0.009383242283  1.990240462813  6.015250226198  -0.004854503115  -0.058700991327  -0.166790471112  0.000537346650  -0.000223755284  0.002062014065
  6  Al  1.971553818071  7.960897514387  5.961538966395  -0.036198193682  0.226774783506  0.112175870483  -0.001373403374  0.000083081152  -0.000693122756
  7  Al  1.986233736758  2.005246835468  4.026545742826  -0.062499374644  -0.109717654235  0.003464197222  -0.000460146135  0.000565289564  0.002627869210
  8  Al  7.939133511102  4.046461854890  7.878315286336  0.026787890836  -0.195052493845  0.264720334922  -0.001715884787  0.003360537953  -0.004946441175
  9  Al  0.021428871297  5.967206659163  1.987015538574  -0.022824244996  -0.023221618954  0.105776949766  0.001280100541  -0.000571781134  -0.000055120236
  10  Al  2.031731123881  3.914204786613  1.984057936886  -0.176557088208  0.459445550043  0.223123897430  0.002099620838  -0.003217104731  -0.000042831535
  11  Al  2.006152246482  5.998909734954  0.078753827653  -0.143424473756  -0.027113982731  0.021907062707  0.000533964764  0.001365042085  0.004932486351
  12  Al  7.933857881115  4.008988668670  3.928298990866  0.309988965750  -0.061676179038  0.228443175337  -0.001468063241  0.001459959261  -0.002872372149
  13  Al  0.005899994852  5.951967421862  5.915240761164  -0.033270455723  0.019154919001  0.195897407961  0.000313468379  -0.001404846551  -0.003325797321
  14  Al  1.978439619265  3.955014994541  6.001478041584  -0.092566440188  -0.121918311679  -0.179526055976  -0.001065828037  -0.002075996007  0.001182654983
  15  Al  2.053933530244  5.984739448784  3.914423826520  -0.336256028467  -0.125477712790  0.099493072219  0.003061778994  0.000275176785  -0.004145199676
  16  Al  4.061777536410  0.083484060644  7.967996437457  -0.084782225989  -0.119674342231  0.199178791836  0.004538045394  0.004878496792  0.000426350143
  17  Al  3.895594954227  1.921007010355  1.980509070716  0.381830970609  0.171430100467  0.001792553083  -0.004582821099  -0.003958021471  -0.000721655858
  18  Al  6.034073836633  7.897509981883  1.910531078692  -0.317405993004  0.112976364546  0.251012616003  0.002834092092  -0.004164272167  -0.004502413062
  19  Al  5.999244543108  2.069468703877  7.867430568578  -0.223410151876  -0.358770813423  0.218020805020  0.000898755123  0.004006429443  -0.005814001545
  20  Al  4.006653949620  0.084404218594  3.991517196894  -0.122466001373  -0.342853311786  -0.048469104046  0.001108401377  0.004416777124  0.000326703329
  21  Al  4.002833169199  1.968575199117  5.995795361498  0.019254883219  0.154939349623  0.128884701746  0.001195414455  -0.001134545729  0.001495796119
  22  Al  5.977360941533  0.010520778966  5.987042616955  -0.000308509660  0.216725956461  0.075718364429  0.000110109752  0.001162288176  0.000836935231
  23  Al  6.037813544744  2.004638712485  3.965044143961  -0.224305539204  -0.025396550815  0.245877586224  0.003265810615  0.000710564398  -0.000564917074
  24  Al  4.001520820559  3.974061478492  0.086621176424  0.085455042444  -0.079453472689  -0.371732098521  0.001259621401  -0.000787707122  0.004542771834
  25  Al  3.955558320865  6.054808453940  2.066288477826  0.165977753040  -0.174424675846  -0.240185437848  -0.001469173171  0.004385646956  0.004048971260
  26  Al  5.933795876947  4.045474002022  1.937814402563  0.069028495731  -0.048686137164  0.199596038037  -0.002486234417  0.003710214492  -0.002936232811
  27  Al  5.944175499537  6.010420563599  0.071328537968  0.021865151396  -0.185104259848  -0.305125358315  -0.001855465579  0.001720233539  0.003827037689
  28  Al  4.000756528246  4.017874560408  4.041470334178  -0.041100102045  -0.028149763777  -0.256114557815  0.000915238536  0.001986304884  0.002893308216
  29  Al  3.918716304438  5.998326618954  6.079622033754  0.393670424500  -0.074323507291  -0.263225510495  -0.003127423590  0.001190085449  0.005686752355
  30  Al  5.995213410116  3.911667667432  5.991583433589  -0.065242187202  0.246036159258  -0.072872491780  0.001061448773  -0.004017856262  0.000894014907
  31  Al  6.041772783502  5.947155468397  3.974770626745  -0.234178065723  0.132560259524  -0.148775770707  0.003539730387  -0.001508688863  -0.000921570588


MDSTEP:  35
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.961270163592  0.000000000000  0.000000000000
  0.000000000000  7.961270163592  0.000000000000
  0.000000000000  0.000000000000  7.961270163592
VIRIAL (kbar)
  -38.971796766140  -0.219097394487  0.119590079207
  -0.219097394487  -39.465607478772  -1.222175664147
  0.119590079207  -1.222175664147  -34.667509671135
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.888581643841  7.939293809662  7.923471522305  0.296908543329  0.024540469774  -0.136821394985  -0.003693001988  -0.001237215092  -0.002532109630
  1  Al  7.928740037350  1.940561204673  1.921348115465  0.212604832276  0.169716815827  0.058647264603  -0.001452991842  -0.002592612294  -0.003959036508
  2  Al  1.948131138987  7.890770072631  1.954639033663  0.066826274874  0.195197509556  0.193317518733  -0.002292524636  -0.003900403149  -0.001701867490
  3  Al  1.944404399595  1.967956885441  7.944339237205  0.034253507661  -0.038820265196  -0.202003594858  -0.002600056398  -0.001383907649  -0.001504641865
  4  Al  0.014849514882  7.907112236452  4.086147842370  0.158222013877  0.100628554266  -0.442407434293  0.001217227557  -0.003031106117  0.005357595288
  5  Al  0.009643567193  1.988398957923  6.011054182525  -0.001817924139  -0.060888587778  -0.176225769974  0.000537259834  -0.000234663943  0.002033291078
  6  Al  1.969154686832  7.954041244629  5.956024371112  -0.034294257007  0.227992742099  0.117488140595  -0.001381011791  0.000123835204  -0.000673239024
  7  Al  1.984277338821  2.003784567654  4.024365912174  -0.068518628971  -0.113058821143  -0.002045536632  -0.000472301323  0.000545900543  0.002630490117
  8  Al  7.931387672641  4.044622221458  7.869017510616  0.031681463167  -0.201255108031  0.278432220002  -0.001712283672  0.003328280877  -0.004902555155
  9  Al  0.022049332570  5.961741769452  1.985268501841  -0.023962989736  -0.023999804991  0.106541216502  0.001277130708  -0.000576547358  -0.000036182441
  10  Al  2.031010084375  3.909220208647  1.982324854250  -0.189381763458  0.467922097449  0.230818176856  0.002068883304  -0.003137212588  -0.000002270812
  11  Al  2.004672023962  5.994385611466  0.081152809969  -0.148225190231  -0.030869135092  0.010420422358  0.000508385875  0.001361151487  0.004940059028
  12  Al  7.926253189676  4.006237184292  3.923464234755  0.323428275913  -0.070439682249  0.233583819830  -0.001412802583  0.001449528183  -0.002833773714
  13  Al  0.006050129092  5.946101099940  5.908453691678  -0.033073978918  0.019898942778  0.206128097875  0.000307831918  -0.001402686796  -0.003292995854
  14  Al  1.976185788195  3.950539605648  5.996853682515  -0.093202467760  -0.118854880959  -0.186855458601  -0.001083455073  -0.002099501438  0.001151007596
  15  Al  2.053667187702  5.979678272182  3.908958909860  -0.350001519338  -0.129507363883  0.114727216512  0.003003304746  0.000252631634  -0.004129973503
  16  Al  4.060518316988  0.085845616633  0.000037940420  -0.092514524705  -0.130965277961  0.201420031692  0.004526494563  0.004860709156  0.000462585037
  17  Al  3.889940171571  1.917368656941  1.978429752804  0.392631255495  0.178350083886  0.005129915288  -0.004517901238  -0.003930492940  -0.000721721599
  18  Al  6.030240783839  7.888579870310  1.906633164789  -0.322086368328  0.127693310402  0.266339959367  0.002779584515  -0.004146698415  -0.004460413226
  19  Al  5.994478205816  2.069660218906  7.857706353981  -0.223789037243  -0.375302926738  0.239134765965  0.000859609822  0.003944574966  -0.005778630616
  20  Al  4.003725989146  0.086524135458  3.988214812789  -0.128228511588  -0.354982617125  -0.046908078043  0.001087030766  0.004358553267  0.000318482690
  21  Al  3.999958364535  1.966306626155  5.991346290126  0.014615040445  0.161035575209  0.127473571387  0.001199578366  -0.001107361136  0.001520144860
  22  Al  5.972229223318  0.011102500210  5.982269321657  -0.000435500335  0.215474878504  0.075250458326  0.000110147707  0.001202048062  0.000851232452
  23  Al  6.034197274443  2.003253380143  3.961332055047  -0.227853771862  -0.027203787367  0.246558585845  0.003228468162  0.000706534103  -0.000521408865
  24  Al  3.998682217249  3.970215629619  0.088800879098  0.082111428639  -0.079002864594  -0.388968748581  0.001275804302  -0.000802627319  0.004479044805
  25  Al  3.951398747217  6.051739605620  2.066509322621  0.174559034987  -0.179768401568  -0.251990970394  -0.001440109306  0.004358129572  0.004008792878
  26  Al  5.927406836103  4.043816610666  1.934673637834  0.079964454553  -0.059471024138  0.211220646271  -0.002475267825  0.003704061961  -0.002902275324
  27  Al  5.938090741584  6.006056995491  0.073166605341  0.023789171253  -0.191978032582  -0.325903429551  -0.001853143134  0.001688139253  0.003774229478
  28  Al  3.997740735368  4.015380046646  4.039398679666  -0.044884178236  -0.030551864603  -0.260523773315  0.000908416572  0.001982939640  0.002849845117
  29  Al  3.913769715173  5.993713410339  6.077178264674  0.402036892690  -0.076182639246  -0.271557987527  -0.003059222264  0.001177753385  0.005644317481
  30  Al  5.990538987808  3.906275364197  5.986828099963  -0.068060367638  0.265137661404  -0.082968582346  0.001050533343  -0.003975949188  0.000880924687
  31  Al  6.038289601840  5.941246465736  3.970854130797  -0.243301209664  0.139514444090  -0.147451268908  0.003500383240  -0.001485785870  -0.000948940283


MDSTEP:  36
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.954264589475  0.000000000000  0.000000000000
  0.000000000000  7.954264589475  0.000000000000
  0.000000000000  0.000000000000  7.954264589475
VIRIAL (kbar)
  -36.423089503954  -0.223989363704  0.133782074258
  -0.223989363704  -36.939977146518  -1.278088330301
  0.133782074258  -1.278088330301  -31.912648865796
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.879806719130  7.931690036503  7.915226987736  0.306025855126  0.025010552592  -0.137471512582  -0.003642644671  -0.001233979355  -0.002559091322
  1  Al  7.921046060820  1.937564816451  1.917680430297  0.215023230081  0.177249598716  0.062850352452  -0.001416148560  -0.002564085466  -0.003951997347
  2  Al  1.945273542589  7.881884972778  1.952076703307  0.069048438537  0.213982820119  0.199781484825  -0.002282588241  -0.003867576222  -0.001668353207
  3  Al  1.941394854821  1.965531450696  7.936587183255  0.037469837328  -0.039936071742  -0.199883708211  -0.002596155210  -0.001392289883  -0.001542042491
  4  Al  0.015452156866  7.898643197791  4.085211353014  0.158456922427  0.108858397672  -0.462155505419  0.001246729036  -0.003015299772  0.005281869001
  5  Al  0.009903641342  1.986529195222  6.006773529142  -0.003864037853  -0.062018663371  -0.184283343522  0.000537271088  -0.000245883972  0.002003012163
  6  Al  1.966729848287  7.947114138583  5.950451942336  -0.026735370916  0.227574888748  0.123883232750  -0.001387805703  0.000164702068  -0.000652301091
  7  Al  1.982292038333  2.002289234093  4.022139853256  -0.068702256712  -0.115786142669  -0.008842498114  -0.000485031365  0.000525959884  0.002632059619
  8  Al  7.923553631249  4.042718347344  7.859654173772  0.031507902856  -0.207528836376  0.292583342282  -0.001708287419  0.003294936232  -0.004856222228
  9  Al  0.022667451849  5.956206335816  1.983508219519  -0.029908450941  -0.025638481385  0.106051192499  0.001273547135  -0.000581544582  -0.000017202618
  10  Al  2.030248907068  3.904232497593  1.980589671436  -0.197074841168  0.475511738521  0.237344191251  0.002036317992  -0.003055862755  0.000039600628
  11  Al  2.003155580117  5.989790036203  0.083551998737  -0.147672337894  -0.035433409438  -0.002692555955  0.000482411592  0.001356537282  0.004945526650
  12  Al  7.918586448533  4.003433516041  3.918605245210  0.331517440457  -0.078881102570  0.238517329956  -0.001355588573  0.001437574065  -0.002794287691
  13  Al  0.006197249975  5.940168303594  5.901617149570  -0.037587363437  0.019475543358  0.217630825609  0.000301809423  -0.001400521265  -0.003258277693
  14  Al  1.973900915229  3.946008195687  5.992143889596  -0.088296726093  -0.114126233450  -0.193015946178  -0.001100736390  -0.002122369819  0.001118143810
  15  Al  2.053346127149  5.974536948183  3.903459246516  -0.358215843036  -0.134003497428  0.131130314787  0.002942863801  0.000229306814  -0.004111976549
  16  Al  4.059204445746  0.088194682208  0.000278208792  -0.096269065168  -0.142992235887  0.203467711765  0.004513985834  0.004840905398  0.000499246491
  17  Al  3.884275688555  1.913724094232  1.976328173133  0.408525739306  0.186202280761  0.007849423531  -0.004450611962  -0.003901686744  -0.000721258508
  18  Al  6.026309892554  7.879570528805  1.902737008867  -0.332118243436  0.143476644894  0.280901724385  0.002723758299  -0.004126453624  -0.004415779199
  19  Al  5.989623147963  2.069794609758  7.847913158370  -0.228860333105  -0.390823517465  0.261968614168  0.000819954845  0.003879864577  -0.005739397869
  20  Al  4.000740692249  0.088611506297  3.984862508134  -0.129531073268  -0.367416986483  -0.045362996533  0.001065027115  0.004298154183  0.000310537663
  21  Al  3.997039041414  1.964029852235  5.986839964136  0.014686011093  0.168075145378  0.126448810609  0.001203358970  -0.001078995315  0.001544326115
  22  Al  5.967028976105  0.011703407392  5.977434179308  -0.006210076881  0.212891912513  0.075571732416  0.000109659809  0.001241524510  0.000865545409
  23  Al  6.030491563259  2.001842670187  3.957596554572  -0.237323424225  -0.027907627592  0.246249698164  0.003189983055  0.000702287928  -0.000477834973
  24  Al  3.995805147402  3.966317150722  0.090944976323  0.083437363588  -0.078241586872  -0.406508114830  0.001291844952  -0.000817467705  0.004412226006
  25  Al  3.947209401006  6.048585461027  2.066684106017  0.188489261806  -0.185890936499  -0.264651865026  -0.001409029748  0.004329637837  0.003966459030
  26  Al  5.920956860394  4.042107678865  1.931529446732  0.086325921271  -0.071130460941  0.222101800711  -0.002462787666  0.003695961998  -0.002866323998
  27  Al  5.931939930113  6.001607452383  0.074974855216  0.020592852536  -0.200231590297  -0.348011906472  -0.001850965251  0.001654691245  0.003717601983
  28  Al  3.994675118178  4.012836832284  4.037257525908  -0.043634960164  -0.032831183284  -0.264899971590  0.000901377521  0.001979187755  0.002805605324
  29  Al  3.908814053815  5.989024699043  6.074640755202  0.415332959119  -0.078743144021  -0.279076278283  -0.002989072508  0.001165035169  0.005600524701
  30  Al  5.985789820053  3.900861798011  5.981996723610  -0.076105592159  0.286076578633  -0.092433321734  0.001038654507  -0.003930491429  0.000866088038
  31  Al  6.034715562692  5.935281734379  3.966878872194  -0.258329739075  0.145175605865  -0.145042257711  0.003458900524  -0.001461759036  -0.000976019156


MDSTEP:  37
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.947176415053  0.000000000000  0.000000000000
  0.000000000000  7.947176415053  0.000000000000
  0.000000000000  0.000000000000  7.947176415053
VIRIAL (kbar)
  -33.816696155442  -0.231768964527  0.146942828265
  -0.231768964527  -34.348256449076  -1.334214116294
  0.146942828265  -1.334214116294  -29.093921396267
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.870977163709  7.924006078494  7.906887854595  0.320548786137  0.025264925447  -0.137454690987  -0.003590185910  -0.001230696714  -0.002586199631
  1  Al  7.913288988820  1.934564039665  1.913998274136  0.222539184560  0.183853777552  0.068159662831  -0.001378404935  -0.002534310095  -0.003944167914
  2  Al  1.942401817017  7.872936982068  1.949511887861  0.065426312611  0.233449883047  0.206513507703  -0.002272806309  -0.003831361829  -0.001633654400
  3  Al  1.938368384108  1.963081972902  7.928734774568  0.035438052971  -0.041666251732  -0.197514732969  -0.002592188553  -0.001400958598  -0.001579104406
  4  Al  0.016068859740  7.890101734137  4.084191359847  0.163164972488  0.118066552766  -0.482883157690  0.001276722674  -0.002997969733  0.005202538664
  5  Al  0.010163291105  1.984633248251  6.002414113329  -0.000399301132  -0.063791785858  -0.193377149599  0.000537418404  -0.000257378811  0.001971203805
  6  Al  1.964282134577  7.940124858787  5.944828767684  -0.024055336641  0.227034571641  0.130239689173  -0.001393714113  0.000205525902  -0.000630213321
  7  Al  1.980279989432  2.000762780174  4.019871353370  -0.074925923030  -0.118855110419  -0.015859815151  -0.000498355188  0.000505490307  0.002632439957
  8  Al  7.915640049257  4.040754085685  7.850235159762  0.037082660937  -0.213644245660  0.307480222627  -0.001703833308  0.003260507142  -0.004807328795
  9  Al  0.023282718601  5.950606732598  1.981736819755  -0.030991271763  -0.026457598972  0.105511619078  0.001269353159  -0.000586776435  0.000001703335
  10  Al  2.029449119107  3.899246617776  1.978855141480  -0.210770287323  0.483026013104  0.244246435119  0.002001842591  -0.002973134754  0.000082714655
  11  Al  2.001605154385  5.985129153160  0.085950299131  -0.152339115706  -0.039657116126  -0.016166497613  0.000456052238  0.001351155691  0.004948705947
  12  Al  7.910867054626  4.000581286563  3.913726762212  0.345407406539  -0.088311175674  0.242977179117  -0.001296375991  0.001424034323  -0.002753970643
  13  Al  0.006340959653  5.934175500935  5.894738633739  -0.036794661755  0.020025417927  0.229409523013  0.000295453411  -0.001398366200  -0.003221498879
  14  Al  1.971587601873  3.941425511600  5.987354666121  -0.088272119784  -0.109247607746  -0.199780403409  -0.001117612354  -0.002144437405  0.001084110992
  15  Al  2.052971850564  5.969321612588  3.897930588094  -0.372137139537  -0.138278089731  0.148059719164  0.002880434217  0.000205178671  -0.004091050814
  16  Al  4.057840016500  0.090530263888  0.000536686299  -0.105161385777  -0.155859895477  0.205280207210  0.004500410728  0.004818938244  0.000536297489
  17  Al  3.878607193493  1.910076131396  1.974206740119  0.418759847057  0.193506121188  0.011095404888  -0.004380995942  -0.003871563400  -0.000720273697
  18  Al  6.022286851727  7.870492005778  1.898846010085  -0.335758732145  0.159814625634  0.296380373669  0.002666701189  -0.004103386439  -0.004368490046
  19  Al  5.984685468014  2.069872740353  7.838061631305  -0.227961478452  -0.407732212394  0.285867254947  0.000779901975  0.003812256668  -0.005696044849
  20  Al  3.997702317458  0.090665301413  3.981464781457  -0.135793712354  -0.379950938264  -0.043500109968  0.001042343512  0.004235536254  0.000302895003
  21  Al  3.994079577861  1.961747660796  5.982282841469  0.008919081539  0.174504549678  0.124692437350  0.001206654323  -0.001049415520  0.001568308549
  22  Al  5.961766214550  0.012323280597  5.972543759401  -0.006561718528  0.209759620244  0.075420523970  0.000108625356  0.001280549453  0.000879902304
  23  Al  6.026702154411  2.000408708608  3.953841950044  -0.240430234222  -0.029547306377  0.245291847535  0.003150389943  0.000697839979  -0.000434340030
  24  Al  3.992894100176  3.962370452898  0.093051983958  0.078899633203  -0.076715312471  -0.424358286733  0.001307636012  -0.000832131904  0.004342251936
  25  Al  3.942995853460  6.045352079583  2.066813944932  0.197451532571  -0.191449711513  -0.277743545768  -0.001375896327  0.004300147352  0.003921848153
  26  Al  5.914453006981  4.040350577582  1.928384926041  0.098514955131  -0.083133375524  0.233673226103  -0.002448678126  0.003685800742  -0.002828378266
  27  Al  5.925729277626  5.997077759240  0.076751379949  0.022643780489  -0.207529389022  -0.370335368494  -0.001848919267  0.001619847872  0.003657008527
  28  Al  3.991564157832  4.010249099957  4.035050890622  -0.048032809772  -0.035204427781  -0.268963851515  0.000894065355  0.001975049830  0.002760615327
  29  Al  3.903854799163  5.984266807547  6.072015464159  0.422751836813  -0.080897358297  -0.286782622523  -0.002917052500  0.001151902720  0.005555422998
  30  Al  5.980971735865  3.895433123840  5.977095002853  -0.079188577318  0.307475112484  -0.102700802232  0.001025786458  -0.003881269575  0.000849486776
  31  Al  6.031055916033  5.929268282193  3.962849409862  -0.267974237808  0.152147738328  -0.142877798846  0.003415229510  -0.001436603737  -0.001002732027


MDSTEP:  38
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.940014477681  0.000000000000  0.000000000000
  0.000000000000  7.940014477681  0.000000000000
  0.000000000000  0.000000000000  7.940014477681
VIRIAL (kbar)
  -31.146215660601  -0.235270385022  0.163965918348
  -0.235270385022  -31.698035207040  -1.388155078118
  0.163965918348  -1.388155078118  -26.213632042655
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.862103038809  7.916250772794  7.898462921275  0.331303501634  0.025925089554  -0.136892119461  -0.003535472720  -0.001227349088  -0.002613325191
  1  Al  7.905478297717  1.931561622891  1.910304258954  0.226130761165  0.191971710892  0.073932516174  -0.001339652842  -0.002503229710  -0.003935403806
  2  Al  1.939517803828  7.863936605673  1.946947362229  0.066414177846  0.254761318874  0.214021877290  -0.002263287358  -0.003791526599  -0.001597674091
  3  Al  1.935326967120  1.960610482985  7.920791041454  0.038110878600  -0.042372277299  -0.193353961705  -0.002588202900  -0.001409876667  -0.001615644799
  4  Al  0.016700060911  7.881497449906  4.083090536458  0.164200640000  0.127858831994  -0.504197349223  0.001307280634  -0.002978971919  0.005119454076
  5  Al  0.010422836366  1.982713165447  5.997981791080  -0.000958370079  -0.064462641659  -0.202892135764  0.000537834527  -0.000269107852  0.001937731591
  6  Al  1.961813972347  7.933082187933  5.939162028552  -0.016110970341  0.225690843712  0.135989296294  -0.001398700826  0.000246225075  -0.000607031100
  7  Al  1.978242838274  1.999207154342  4.017564249620  -0.076110394624  -0.121171001815  -0.024503927237  -0.000512362973  0.000484527021  0.002631462784
  8  Al  7.907656231244  4.038733374428  7.840770542659  0.038638547593  -0.220356210923  0.323181081702  -0.001698764772  0.003224949738  -0.004755728472
  9  Al  0.023895058958  5.944949504743  1.979956458914  -0.035950677448  -0.028478893216  0.105177020443  0.001264635283  -0.000592277106  0.000020549884
  10  Al  2.028611746926  3.894267587338  1.977124083805  -0.219788542087  0.488883008547  0.251360992310  0.001965334029  -0.002889177182  0.000127126526
  11  Al  2.000022553134  5.980409237087  0.088346591573  -0.152092274397  -0.045101843745  -0.030856499658  0.000429278833  0.001344926013  0.004949450010
  12  Al  7.903105052296  3.997684097779  3.908833544463  0.355074154037  -0.098291630704  0.246897268109  -0.001235018797  0.001408768216  -0.002712908975
  13  Al  0.006481335103  5.928129343133  5.887825760943  -0.039801868419  0.019330805395  0.240921653180  0.000288897837  -0.001396244749  -0.003182652890
  14  Al  1.969248044386  3.936796376061  5.982492061403  -0.083265498697  -0.103528166128  -0.206877702396  -0.001134073275  -0.002165613926  0.001048822237
  15  Al  2.052545387120  5.964038519623  3.892378792488  -0.381078162988  -0.143186138283  0.166085167377  0.002815944773  0.000180208603  -0.004067044536
  16  Al  4.056428736236  0.092851300482  0.000813536159  -0.110999023439  -0.168743634744  0.206881214108  0.004485578045  0.004794724579  0.000573699312
  17  Al  3.872939927165  1.906427555248  1.972067940903  0.432968114526  0.202195456228  0.015145706815  -0.004309196078  -0.003840042818  -0.000718647046
  18  Al  6.018178024270  7.861354523915  1.894963675481  -0.344087508131  0.177894299544  0.312839602790  0.002608560382  -0.004077284837  -0.004318368569
  19  Al  5.979671897784  2.069895389318  7.828162639743  -0.231349130021  -0.423470627632  0.311651940599  0.000739599479  0.003741723767  -0.005648297836
  20  Al  3.994614747056  0.092684488947  3.978026225716  -0.138479603476  -0.392063195211  -0.041621402056  0.001018854010  0.004170720820  0.000295584364
  21  Al  3.991083897316  1.959462811785  5.977681415201  0.006735452829  0.181917424796  0.121839508783  0.001209261496  -0.001018585384  0.001591928080
  22  Al  5.956447536486  0.012961852565  5.967604688725  -0.012047229910  0.205846792838  0.074412668867  0.000107069550  0.001319003855  0.000894184122
  23  Al  6.022835463207  1.998953571573  3.950072555548  -0.248614426854  -0.030126661605  0.243007649160  0.003109799016  0.000693200519  -0.000391098999
  24  Al  3.989953107955  3.958380079913  0.095120396953  0.077912564800  -0.075582865199  -0.441907612774  0.001322969905  -0.000846586418  0.004269112986
  25  Al  3.938763295009  6.042045676111  2.066899956680  0.210637918728  -0.198071087589  -0.290376197927  -0.001340771408  0.004269608299  0.003874956089
  26  Al  5.907902948480  4.038548718198  1.925243262557  0.106678557790  -0.096870002537  0.245858889814  -0.002432774101  0.003673387269  -0.002788316085
  27  Al  5.919465561067  5.992473927304  0.078494258386  0.020083225151  -0.216329502469  -0.393701460907  -0.001846946989  0.001583556485  0.003592327937
  28  Al  3.988411897547  4.007621092459  4.032782889406  -0.048520498585  -0.038270202184  -0.273380202380  0.000886323533  0.001970453525  0.002714867211
  29  Al  3.898896965327  5.979446194721  6.069308440563  0.434213652102  -0.083650845989  -0.295124395694  -0.002843319847  0.001138337065  0.005508931743
  30  Al  5.976091107703  3.889995597218  5.972128663760  -0.086998245046  0.329976202989  -0.113828417805  0.001011948088  -0.003828135625  0.000830969233
  31  Al  6.027316496781  5.923213330207  3.958770344954  -0.282849722258  0.157875643569  -0.139690668827  0.003369377700  -0.001410310967  -0.001029009087


MDSTEP:  39
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.932787735436  0.000000000000  0.000000000000
  0.000000000000  7.932787735436  0.000000000000
  0.000000000000  0.000000000000  7.932787735436
VIRIAL (kbar)
  -28.420070031660  -0.240028837475  0.180683941382
  -0.240028837475  -28.987222547213  -1.441187767255
  0.180683941382  -1.441187767255  -23.273542897420
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.853194183927  7.908433111631  7.889961151699  0.344545858140  0.026263935954  -0.135768737448  -0.003478612958  -0.001223927823  -0.002640367948
  1  Al  7.897623231586  1.928560476272  1.906601062222  0.231852497953  0.199205272249  0.080462944133  -0.001300049494  -0.002470783821  -0.003925591615
  2  Al  1.936623783292  7.854894628549  1.944385998350  0.064192865608  0.276693215933  0.221810265460  -0.002253904342  -0.003747842301  -0.001560314148
  3  Al  1.932273030229  1.958119131422  7.912765292790  0.038040556792  -0.043781545530  -0.188739048685  -0.002584020710  -0.001419014859  -0.001651462221
  4  Al  0.017345871444  7.872840117846  4.081911572426  0.167088738197  0.138153360289  -0.526199486363  0.001338240694  -0.002958204633  0.005032490948
  5  Al  0.010682238148  1.980771123574  5.993482474322  0.000793746759  -0.065691389103  -0.213188420362  0.000538366146  -0.000281022812  0.001902483762
  6  Al  1.959328286953  7.925994957824  5.933458941665  -0.010486271631  0.223714571827  0.141665803952  -0.001402500641  0.000286672151  -0.000582812945
  7  Al  1.976182710904  1.997624403352  4.015222298062  -0.080446293582  -0.124083300318  -0.033491783560  -0.000526886616  0.000463082506  0.002628948472
  8  Al  7.899611240588  4.036660163656  7.831270581686  0.042791298018  -0.226828143498  0.339304843639  -0.001693206943  0.003188227423  -0.004701303562
  9  Al  0.024504054443  5.939241179338  1.978169341820  -0.038808592561  -0.029627664841  0.104827514106  0.001259233104  -0.000598076081  0.000039354561
  10  Al  2.027738268347  3.889300331858  1.975399367111  -0.232111387748  0.494577963647  0.258675225285  0.001926910384  -0.002804146655  0.000172875725
  11  Al  1.998410052936  5.975636546183  0.090739655326  -0.154426849060  -0.050093390150  -0.046307570769  0.000402298378  0.001337777505  0.004947575853
  12  Al  7.895310227035  3.994745564903  3.903930358420  0.367247121313  -0.108735184228  0.250701230023  -0.001171665512  0.001391681814  -0.002671157237
  13  Al  0.006618114049  5.922036458449  5.880886209669  -0.040499387168  0.019414784319  0.252579885034  0.000282008781  -0.001394197497  -0.003141744780
  14  Al  1.966884912921  3.932125744031  5.977562187229  -0.080614095806  -0.097094945261  -0.214334628521  -0.001149883462  -0.002185758490  0.001012212423
  15  Al  2.052068245914  5.958693957748  3.886809869710  -0.393165201177  -0.147569904724  0.184884759680  0.002749553271  0.000154385062  -0.004039783516
  16  Al  4.054974652373  0.095156736792  0.001108903455  -0.119345737742  -0.182603228847  0.208152653312  0.004469531468  0.004768169038  0.000611404689
  17  Al  3.867279539138  1.902781300615  1.969914363626  0.444667635118  0.210217728056  0.019724371271  -0.004235073548  -0.003807055427  -0.000716258119
  18  Al  6.013989448736  7.852168576068  1.891093623195  -0.348857392228  0.196651279340  0.330020573957  0.002549229935  -0.004047925501  -0.004265254799
  19  Al  5.974588877715  2.069863476001  7.818227331268  -0.231352635169  -0.440329863645  0.338435455126  0.000698964539  0.003668262277  -0.005595888602
  20  Al  3.991482245079  0.094668081359  3.974551496160  -0.143332621938  -0.404361091033  -0.039377860379  0.000994682361  0.004103721563  0.000288639667
  21  Al  3.988056305761  1.957178181628  5.973042173294  0.001811842664  0.188737286714  0.118221121514  0.001211254402  -0.000986466969  0.001615017359
  22  Al  5.951079171458  0.013618788126  5.962623609363  -0.014732474004  0.201046944424  0.072903853487  0.000104783010  0.001356738237  0.000908269144
  23  Al  6.018897546531  1.997479461311  3.946292626153  -0.253410414515  -0.031499336577  0.240220017952  0.003068054535  0.000688392566  -0.000348274109
  24  Al  3.986986582886  3.954350599431  0.097148743887  0.074095543855  -0.073642866611  -0.459997094462  0.001337910135  -0.000860793858  0.004192779008
  25  Al  3.934517351993  6.038672467705  2.066943335869  0.221739236952  -0.203995542774  -0.303334486170  -0.001303459528  0.004237982715  0.003825788054
  26  Al  5.901314084442  4.036705423096  1.922107723808  0.118202971207  -0.111057691714  0.258647815324  -0.002415130897  0.003658520738  -0.002746023044
  27  Al  5.913155232755  5.987801926569  0.080201481736  0.020335879657  -0.224394179192  -0.417792425243  -0.001845207883  0.001545744678  0.003523393239
  28  Al  3.985222791856  4.004957054103  4.030457671085  -0.051496396997  -0.041372655558  -0.277384233884  0.000878277895  0.001965331521  0.002668362049
  29  Al  3.893945983601  5.974569358205  6.066525775873  0.442881331031  -0.085930716293  -0.303581853836  -0.002767756616  0.001124325233  0.005460976711
  30  Al  5.971153977572  3.884555626696  5.967103447271  -0.092258836450  0.353339101906  -0.125603705935  0.000996942443  -0.003770905367  0.000810397404
  31  Al  6.023502768039  5.917124076532  3.954646428938  -0.294942535488  0.164677195241  -0.136136997642  0.003321119908  -0.001382892936  -0.001054725714


MDSTEP:  40
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.925505252408  0.000000000000  0.000000000000
  0.000000000000  7.925505252408  0.000000000000
  0.000000000000  0.000000000000  7.925505252408
VIRIAL (kbar)
  -25.635081014111  -0.243287855119  0.200131138089
  -0.243287855119  -26.220801044647  -1.493687434249
  0.200131138089  -1.493687434249  -20.279917802740
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.844260761546  7.900562162612  7.881391661899  0.354162473102  0.026427749961  -0.134977970582  -0.003419701861  -0.001220476209  -0.002667306239
  1  Al  7.889733328875  1.925563453549  1.902891449566  0.233710977952  0.207375092949  0.085526152541  -0.001259746845  -0.002436963533  -0.003914790481
  2  Al  1.933721771730  7.845821991452  1.941830717261  0.065299515549  0.299418392477  0.228220289565  -0.002244644782  -0.003700174394  -0.001521669084
  3  Al  1.929208777041  1.955610030119  7.904666981636  0.041416116859  -0.044487797043  -0.183852309597  -0.002579576841  -0.001428372624  -0.001686490854
  4  Al  0.018006570036  7.864139657072  4.080657156638  0.166372473763  0.148486972995  -0.547572641138  0.001369446500  -0.002935614781  0.004941633587
  5  Al  0.010941664940  1.978809275604  5.988922087576  -0.001068277320  -0.066094955462  -0.222055774231  0.000538896447  -0.000293100127  0.001865513920
  6  Al  1.956827820783  7.918872050047  5.927726795828  -0.000922532069  0.220453710789  0.148853526855  -0.001404966564  0.000326696419  -0.000557427987
  7  Al  1.974101477308  1.996016547891  4.012849281023  -0.081154022316  -0.126206479322  -0.042517682522  -0.000541884048  0.000441172499  0.002624859244
  8  Al  7.891514476221  4.034538482908  7.821745672609  0.043277882731  -0.233210848893  0.355183240942  -0.001687253518  0.003150364924  -0.004644030087
  9  Al  0.025109476380  5.933488440045  1.976377698472  -0.045362906485  -0.031611605689  0.102755594888  0.001253002151  -0.000604170047  0.000057962478
  10  Al  2.026829895230  3.884349810909  1.973683904696  -0.240975795566  0.499586594329  0.264417832682  0.001886580835  -0.002718113229  0.000219842171
  11  Al  1.996769726773  5.970817460706  0.093128209141  -0.153003508370  -0.055915301370  -0.063974841271  0.000375214763  0.001329674266  0.004942810712
  12  Al  7.887492692548  3.991769316837  3.899022008934  0.375556253932  -0.119217339900  0.254960264653  -0.001106432709  0.001372726814  -0.002628681107
  13  Al  0.006751241131  5.915903622073  5.873927746116  -0.044604581121  0.018622409763  0.265993151062  0.000274687267  -0.001392232145  -0.003098598773
  14  Al  1.964500691877  3.927418684015  5.972571204326  -0.074117960947  -0.089428649975  -0.220406234278  -0.001164908638  -0.002204694876  0.000974370062
  15  Al  2.051541685625  5.953294342049  3.881229945853  -0.401312202255  -0.152544948245  0.205629591116  0.002681324680  0.000127700278  -0.004009017316
  16  Al  4.053481647956  0.097445437717  0.001422904681  -0.124645771644  -0.197170161175  0.208254327041  0.004452313975  0.004739114263  0.000649280515
  17  Al  3.861631501063  1.899140263271  1.967748669099  0.460194730819  0.219215840634  0.023086647934  -0.004158502549  -0.003772568225  -0.000713167066
  18  Al  6.009727565403  7.842944815500  1.887239555816  -0.356951600815  0.216357636290  0.345964598067  0.002488725867  -0.004015155657  -0.004209186920
  19  Al  5.969443231478  2.069777851756  7.808267040247  -0.234353576978  -0.456565398654  0.366057695821  0.000658029627  0.003591819726  -0.005538642205
  20  Al  3.988308936397  0.096615080936  3.971045334152  -0.144825241547  -0.417038617672  -0.036080759052  0.000969933110  0.004034480540  0.000282187720
  21  Al  3.985000919068  1.954896618708  5.968371617202  0.000099793083  0.196327669030  0.115564827967  0.001212673743  -0.000953041356  0.001637592924
  22  Al  5.945667678979  0.014293674769  5.957607199487  -0.021229083510  0.195012641424  0.072679953903  0.000101674406  0.001393562244  0.000922227036
  23  Al  6.014894848497  1.995988536702  3.942506424237  -0.261838001020  -0.032009734170  0.237158520261  0.003025129953  0.000683421448  -0.000305933729
  24  Al  3.983998739143  3.950286703031  0.099135511560  0.073391313977  -0.071371962380  -0.479114723697  0.001352481047  -0.000874651928  0.004113100962
  25  Al  3.930263515385  6.035238819891  2.066945280430  0.236815763553  -0.210646051369  -0.317673445541  -0.001263787270  0.004205262714  0.003774184711
  26  Al  5.894694190696  4.034824032903  1.918981653526  0.126918046135  -0.126082025812  0.270287394403  -0.002395695050  0.003641080256  -0.002701542346
  27  Al  5.906805073115  5.983067874687  0.081870981775  0.017166923791  -0.233311226199  -0.443740805183  -0.001843755154  0.001506398118  0.003449964354
  28  Al  3.982001127226  4.002261281971  4.028079478593  -0.050893230608  -0.044285194598  -0.280381686602  0.000870024791  0.001959695346  0.002621222536
  29  Al  3.889007084095  5.969642919249  6.063673639258  0.455075568414  -0.088765121668  -0.310904027147  -0.002690291019  0.001109858254  0.005411642008
  30  Al  5.966166696384  3.879119745142  5.962025117097  -0.101095988652  0.378169412727  -0.136434747810  0.000980675219  -0.003709361689  0.000787794485
  31  Al  6.019620526328  5.911007892624  3.950482497519  -0.311103552437  0.170509296228  -0.130905961047  0.003270334707  -0.001354337291  -0.001079698513


MDSTEP:  41
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.918176184233  0.000000000000  0.000000000000
  0.000000000000  7.918176184233  0.000000000000
  0.000000000000  0.000000000000  7.918176184233
VIRIAL (kbar)
  -22.798693251913  -0.245693970784  0.219008722255
  -0.245693970784  -23.399736988973  -1.542170152222
  0.219008722255  -1.542170152222  -17.229491101533
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.835312696315  7.892647067345  7.872763625624  0.369075077045  0.026294560174  -0.132938723011  -0.003358583607  -0.001217035410  -0.002694056803
  1  Al  7.881817872246  1.922573511320  1.899178072315  0.240569404525  0.214499732272  0.093158591079  -0.001218640369  -0.002401774338  -0.003902897530
  2  Al  1.930814102358  7.836729792094  1.939284337338  0.061101777601  0.322980207391  0.236441488031  -0.002235683615  -0.003648368789  -0.001481696578
  3  Al  1.926136738113  1.953085374497  7.896505674394  0.039934267731  -0.046142662404  -0.177683486477  -0.002574995197  -0.001437971349  -0.001720590640
  4  Al  0.018682115260  7.855406077288  4.079330087497  0.170011088851  0.159731743357  -0.570513118554  0.001400965309  -0.002911112606  0.004846787649
  5  Al  0.011200962969  1.976829870713  5.984306754590  0.001954243074  -0.067335444624  -0.233311844988  0.000539538666  -0.000305341144  0.001826731947
  6  Al  1.954315689182  7.911722323311  5.921973082795  0.004169104025  0.216871824094  0.154464311484  -0.001406143908  0.000366154752  -0.000530879738
  7  Al  1.972001353859  1.994385702762  4.010449027167  -0.087270669253  -0.129140843649  -0.052831298704  -0.000557515065  0.000418793573  0.002619072786
  8  Al  7.883375098275  4.032372420335  7.812206273727  0.049337725305  -0.239514583893  0.372289003901  -0.001680732054  0.003111372618  -0.004583812084
  9  Al  0.025710767528  5.927697963568  1.974583627820  -0.047222900246  -0.032461188655  0.102001444734  0.001246029700  -0.000610532268  0.000076337738
  10  Al  2.025888174346  3.879420964203  1.971980492605  -0.255390767498  0.504254005718  0.271888508029  0.001844153676  -0.002631163208  0.000268042317
  11  Al  1.995104007083  5.965958357342  0.095510781104  -0.156441201009  -0.061136142704  -0.081335530807  0.000347928135  0.001320593558  0.004934976916
  12  Al  7.879662306993  3.988759026820  3.894113383220  0.389232593201  -0.130606555054  0.258187204561  -0.001039181236  0.001351815110  -0.002585528219
  13  Al  0.006880356748  5.909737597339  5.866958357332  -0.043608949261  0.019094169978  0.278099941285  0.000267083875  -0.001390312979  -0.003053168833
  14  Al  1.962098230527  3.922680417220  5.967525467405  -0.072175992400  -0.081315831302  -0.228354371186  -0.001179211007  -0.002222270490  0.000935248102
  15  Al  2.050967344177  5.947846103589  3.875645360684  -0.414915467617  -0.156885718435  0.226238253055  0.002611117461  0.000100156334  -0.003974576574
  16  Al  4.051953931021  0.099716212127  0.001755552717  -0.135004261674  -0.212579661567  0.208707913463  0.004433740538  0.004707414607  0.000687254428
  17  Al  3.856001666163  1.895507443319  1.965573431216  0.470067190476  0.227338770880  0.028621666358  -0.004079638591  -0.003736566797  -0.000709286991
  18  Al  6.005398589881  7.833694065871  1.883405081849  -0.359156456714  0.236626535218  0.364353626167  0.002427272748  -0.003978832556  -0.004150049006
  19  Al  5.964241584499  2.069639452042  7.798293259260  -0.231754552955  -0.474178428638  0.394978565017  0.000617025526  0.003512320663  -0.005476356615
  20  Al  3.985099293566  0.098524462223  3.967512621500  -0.151038144559  -0.429506937644  -0.033190425601  0.000944482567  0.003962975118  0.000276286481
  21  Al  3.981922187834  1.952621061750  5.963676405520  -0.006929859813  0.202900469154  0.110470749976  0.001213329673  -0.000918327598  0.001659521669
  22  Al  5.940219346594  0.014985991665  5.952562322197  -0.022726499738  0.188590098561  0.070407341948  0.000097848970  0.001429329816  0.000935989059
  23  Al  6.010833561886  1.994483057659  3.938718232890  -0.264459525118  -0.033696581140  0.233031676678  0.002981215005  0.000678258233  -0.000264196677
  24  Al  3.980994117006  3.946193156336  0.101079101109  0.067171217346  -0.068314899341  -0.497580200416  0.001366466716  -0.000888060095  0.004030036326
  25  Al  3.926007675468  6.031751108445  2.066906893503  0.247023592946  -0.216467963694  -0.331055736462  -0.001221830002  0.004171452197  0.003720101256
  26  Al  5.888050856968  4.032907864710  1.915868311483  0.140913985222  -0.141429762671  0.284032279567  -0.002374241262  0.003620956138  -0.002654782883
  27  Al  5.900421622458  5.978277884053  0.083500529351  0.018882322479  -0.241087769667  -0.469065352896  -0.001842456821  0.001465538704  0.003371921551
  28  Al  3.978751557207  3.999538138911  4.025652694715  -0.055638245492  -0.047572289248  -0.283968922870  0.000861404867  0.001953526307  0.002573481937
  29  Al  3.884085853814  5.964673519896  6.060758378419  0.461562732033  -0.090766717920  -0.319628206272  -0.002611111833  0.001094959284  0.005360896813
  30  Al  5.961135365419  3.873694656859  5.956899591121  -0.105211575212  0.403153893296  -0.149475100668  0.000963246312  -0.003643350495  0.000763043971
  31  Al  6.015675278096  5.904872129875  3.946283580549  -0.322061253301  0.177803972157  -0.126440246422  0.003217117063  -0.001324596891  -0.001103845050


MDSTEP:  42
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.910809766574  0.000000000000  0.000000000000
  0.000000000000  7.910809766574  0.000000000000
  0.000000000000  0.000000000000  7.910809766574
VIRIAL (kbar)
  -19.908403698601  -0.248069279917  0.242020885166
  -0.248069279917  -20.526665469325  -1.591090781018
  0.242020885166  -1.591090781018  -14.132999380449
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.826360461326  7.884697019026  7.864086404107  0.378814047848  0.026326674665  -0.131641784295  -0.003295240707  -0.001213616202  -0.002720572867
  1  Al  7.873886669539  1.919593529129  1.895463825525  0.242117410598  0.222985030790  0.097551004576  -0.001176754935  -0.002365183794  -0.003889968336
  2  Al  1.927902650699  7.827629277663  1.936749856675  0.061900093681  0.347620281603  0.241995188599  -0.002227046792  -0.003592245682  -0.001440469610
  3  Al  1.923059025776  1.950547292933  7.888291129525  0.043484175965  -0.046601290579  -0.171462507327  -0.002570257959  -0.001447788312  -0.001753640908
  4  Al  0.019372857200  7.846649545310  4.077933070527  0.168639979109  0.170898351014  -0.592028267702  0.001432738688  -0.002884618716  0.004747929967
  5  Al  0.011460415987  1.974835102781  5.979642448282  -0.000187694087  -0.067326928882  -0.241589394919  0.000540267492  -0.000317709282  0.001786186248
  6  Al  1.951794625620  7.904554688167  5.916205212625  0.014641637882  0.212193525693  0.162830221293  -0.001405949005  0.000404920588  -0.000503060460
  7  Al  1.969884092473  1.992733930877  4.008025293980  -0.087802939143  -0.131020679882  -0.062784439101  -0.000573764645  0.000395966068  0.002611502241
  8  Al  7.875202842593  4.030166115906  7.802663026197  0.049991955331  -0.246096473172  0.388640090215  -0.001673625508  0.003071228070  -0.004520599055
  9  Al  0.026307792191  5.921876587078  1.972789366726  -0.054180622693  -0.034537308956  0.098357246659  0.001238277755  -0.000617170982  0.000094339914
  10  Al  2.024914178957  3.874518736932  1.970292101876  -0.264552446332  0.507810201931  0.276328963861  0.001799597556  -0.002543421146  0.000317362111
  11  Al  1.993414912270  5.961065728504  0.097885934117  -0.154632004920  -0.067505267518  -0.101466235031  0.000320471778  0.001310484161  0.004923846958
  12  Al  7.871829486908  3.985718328959  3.889209312273  0.397204543824  -0.141906757754  0.262395360056  -0.000969936492  0.001328869886  -0.002541699260
  13  Al  0.007005557701  5.903545318455  5.859985969023  -0.047644424378  0.018172758620  0.293206606122  0.000259204133  -0.001388450484  -0.003005297534
  14  Al  1.959679989246  3.917916241451  5.962431224797  -0.064933328394  -0.072304090683  -0.233389122166  -0.001192722544  -0.002238362367  0.000894936158
  15  Al  2.050346395626  5.942355790250  3.870062475928  -0.422923886872  -0.161981880825  0.248957914144  0.002538938020  0.000071740659  -0.003936276846
  16  Al  4.050395304164  0.101967800667  0.002106892968  -0.140940596930  -0.228206538158  0.207682585368  0.004413748951  0.004672968053  0.000725226254
  17  Al  3.850395415990  1.891885776947  1.963391437079  0.485313242738  0.236798316230  0.031556541342  -0.003998499143  -0.003699004459  -0.000704654655
  18  Al  6.001009328006  7.824427275259  1.879594042183  -0.366455808195  0.258196731011  0.380040179461  0.002364937142  -0.003938781752  -0.004087856096
  19  Al  5.958991123817  2.069449114405  7.788317668897  -0.233806406296  -0.490557146649  0.424489780738  0.000576035453  0.003429744225  -0.005408851730
  20  Al  3.981857408586  0.100395224452  3.963958244129  -0.152405297482  -0.442074600804  -0.028952616105  0.000918339802  0.003889207773  0.000271020297
  21  Al  3.978824129099  1.950354377182  5.958963041442  -0.009231450269  0.210779308662  0.107720441027  0.001213167762  -0.000882296891  0.001680793860
  22  Al  5.934740968884  0.015695185399  5.947495718893  -0.029549618370  0.180987800098  0.070616717476  0.000093276567  0.001463899504  0.000949593434
  23  Al  6.006720463111  1.992965199963  3.934932279506  -0.272684513212  -0.034079745473  0.229125173882  0.002936323302  0.000672913444  -0.000223137809
  24  Al  3.977976805717  3.942074833922  0.102977977974  0.065664342250  -0.065508723208  -0.517664593168  0.001379794089  -0.000900969708  0.003943489734
  25  Al  3.921755325557  6.028215849629  2.066829389344  0.262655209818  -0.223288022680  -0.346776817443  -0.001177533600  0.004136530761  0.003663407155
  26  Al  5.881392201584  4.030960252115  1.912771161728  0.150627578349  -0.158019029942  0.295151767895  -0.002350675718  0.003598002303  -0.002605785488
  27  Al  5.894011914903  5.973438231206  0.085087955970  0.015761717943  -0.250338177160  -0.497096508968  -0.001841307288  0.001423132794  0.003289068999
  28  Al  3.975478298554  3.996791997289  4.023181693483  -0.055108227056  -0.050946261466  -0.286086144238  0.000852410305  0.001946780921  0.002525215085
  29  Al  3.879187405631  5.959667938333  6.057786283949  0.473409029512  -0.093710725769  -0.326116850167  -0.002530244218  0.001079616827  0.005308808740
  30  Al  5.956066569490  3.868287114631  5.951732650750  -0.114414294317  0.429635052054  -0.160011567184  0.000944620599  -0.003572714865  0.000736168703
  31  Al  6.011673059794  5.898724328484  3.942054677832  -0.338771405900  0.183605617190  -0.119578934897  0.003161411405  -0.001293671397  -0.001127018473


MDSTEP:  43
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.903415298315  0.000000000000  0.000000000000
  0.000000000000  7.903415298315  0.000000000000
  0.000000000000  0.000000000000  7.903415298315
VIRIAL (kbar)
  -16.971485137890  -0.249383686073  0.264190146186
  -0.249383686073  -17.607449533353  -1.636067514122
  0.264190146186  -1.636067514122  -10.984433722772
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.817414125581  7.876721287000  7.855369351268  0.393207142054  0.025409010263  -0.128873600729  -0.003229713128  -0.001210287768  -0.002746787620
  1  Al  7.865949115382  1.916626520504  1.891751324551  0.247923116921  0.229779978768  0.106655739375  -0.001134181896  -0.002327217161  -0.003875866832
  2  Al  1.924989751303  7.818531849878  1.934230048647  0.058512703312  0.372274612243  0.251265118173  -0.002218660262  -0.003531698598  -0.001397890877
  3  Al  1.919978214090  1.947998034309  7.880033170734  0.043555725711  -0.048697109724  -0.163882587618  -0.002565223949  -0.001457862349  -0.001785513867
  4  Al  0.020078700320  7.837880279965  4.076468977110  0.171387029610  0.182405513732  -0.615546919737  0.001464686905  -0.002856104662  0.004644998405
  5  Al  0.011719846883  1.972827292638  5.974935457808  0.002181669628  -0.068867917625  -0.254283241068  0.000541024205  -0.000330231640  0.001743743940
  6  Al  1.949267858376  7.897378020984  5.910430888464  0.021986295488  0.206483228546  0.167578514633  -0.001404177810  0.000442803524  -0.000474044848
  7  Al  1.967751959166  1.991063405766  4.005581906633  -0.092670087891  -0.134334817881  -0.074202852111  -0.000590521670  0.000372654641  0.002602044728
  8  Al  7.867007022474  4.027923720894  7.793126560331  0.055628282685  -0.251744971037  0.406374863753  -0.001665969692  0.003029985298  -0.004454326496
  9  Al  0.026899960759  5.916031084535  1.970996909623  -0.056931532041  -0.034877485151  0.097969743443  0.001229664661  -0.000624040625  0.000112001807
  10  Al  2.023909470300  3.869648002839  1.968621449092  -0.278052482848  0.511641884313  0.284408291161  0.001752989531  -0.002454956738  0.000367858231
  11  Al  1.991704946052  5.956146013273  0.100251990701  -0.156273013913  -0.072609291684  -0.120959461058  0.000293005257  0.001299354181  0.004909222589
  12  Al  7.864004200843  3.982650898772  3.884314742637  0.410112088546  -0.153453315618  0.265309309126  -0.000898762591  0.001303873309  -0.002497218444
  13  Al  0.007126491372  5.897333640370  5.853018818148  -0.046847654742  0.019141017599  0.304967321079  0.000251029559  -0.001386599210  -0.002955009722
  14  Al  1.957248916316  3.913131563157  5.957295033924  -0.060986181967  -0.062100599585  -0.242245590136  -0.001205262504  -0.002252780663  0.000853349991
  15  Al  2.049680533648  5.936829929804  3.864487867975  -0.435203065946  -0.165706052393  0.271625430508  0.002464898896  0.000042506687  -0.003893925911
  16  Al  4.048810003547  0.104198931435  0.002476839779  -0.151501447839  -0.245378858169  0.207109966991  0.004392315754  0.004635609583  0.000763104647
  17  Al  3.844818638266  1.888278330151  1.961205256133  0.495615313654  0.244814800081  0.038470606619  -0.003915038222  -0.003659885302  -0.000699145256
  18  Al  5.996566181051  7.815155565615  1.875810045982  -0.368944733197  0.279773553110  0.399841791752  0.002301689286  -0.003894878285  -0.004022473888
  19  Al  5.953698668932  2.069207807440  7.778352057972  -0.231584439137  -0.508901038501  0.455478183190  0.000535024187  0.003344017027  -0.005335931238
  20  Al  3.978587839591  0.102226363652  3.960387240494  -0.158260509465  -0.455050429075  -0.025206941919  0.000891534697  0.003813125847  0.000266466003
  21  Al  3.975711215990  1.948099562799  5.954238287656  -0.016542279926  0.216815728576  0.100722703244  0.001212161072  -0.000844994208  0.001701237811
  22  Al  5.929238911813  0.016420599276  5.942414401731  -0.032691669738  0.172406338397  0.067025990648  0.000087809111  0.001497076731  0.000962921732
  23  Al  6.002561879412  1.991437272754  3.931152842442  -0.276106000367  -0.036227121556  0.223640242555  0.002890378862  0.000667345046  -0.000182878075
  24  Al  3.974951349569  3.937936618189  0.104830468514  0.059093847784  -0.061246680269  -0.536570432676  0.001392430434  -0.000913272115  0.003853412866
  25  Al  3.917512473900  6.024639524080  2.066713794256  0.273856777527  -0.228698367352  -0.359783845706  -0.001130804652  0.004100530005  0.003604128960
  26  Al  5.874726004045  4.028984454584  1.909693445662  0.164483023567  -0.174304300113  0.310187751093  -0.002325006357  0.003572128578  -0.002554429056
  27  Al  5.887582596823  5.968555110340  0.086630855718  0.016226252616  -0.257807302141  -0.523927790538  -0.001840417177  0.001379204065  0.003201262179
  28  Al  3.972186072477  3.994027256237  4.020671015720  -0.059584090306  -0.054096218775  -0.289182686665  0.000843063904  0.001939469198  0.002476462141
  29  Al  3.874317359494  5.954632917503  6.054763901661  0.479712771121  -0.095031627468  -0.335628373829  -0.002447698764  0.001063890083  0.005255300567
  30  Al  5.950966487363  3.862904031641  5.946530349573  -0.120012294672  0.456767506692  -0.174582148955  0.000924663013  -0.003497253228  0.000707028298
  31  Al  6.007619445596  5.892571940741  3.937801033267  -0.351290556230  0.191420331797  -0.113755094597  0.003103071585  -0.001261511250  -0.001149096027


MDSTEP:  44
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.896002128551  0.000000000000  0.000000000000
  0.000000000000  7.896002128551  0.000000000000
  0.000000000000  0.000000000000  7.896002128551
VIRIAL (kbar)
  -13.988138054638  -0.249182860057  0.290134415336
  -0.249182860057  -14.640364204008  -1.680238864116
  0.290134415336  -1.680238864116  -7.796207323220
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.808484219831  7.868729104083  7.846621998557  0.403234095719  0.026650514716  -0.125999697381  -0.003161968722  -0.001206941035  -0.002772558264
  1  Al  7.858015033701  1.913675357097  1.888043612840  0.248966180497  0.239334726967  0.112708312533  -0.001090963776  -0.002287774619  -0.003860439999
  2  Al  1.922077373719  7.809448957108  1.931728029509  0.058697635398  0.399853514674  0.258129494860  -0.002210577281  -0.003466455780  -0.001353839593
  3  Al  1.916896574849  1.945439711443  7.871741790727  0.047029726618  -0.048341288069  -0.155589125327  -0.002559897584  -0.001468120034  -0.001816022323
  4  Al  0.020799919568  7.829108576645  4.074940531061  0.169480792223  0.195853403308  -0.638570498052  0.001496761968  -0.002825361371  0.004537847639
  5  Al  0.011979482678  1.970808634596  5.970191717544  -0.000155082426  -0.067704807166  -0.264056203978  0.000541791020  -0.000342805166  0.001699266873
  6  Al  1.946738346656  7.890201156788  5.904657527159  0.033190984565  0.201959064119  0.174940948817  -0.001400762045  0.000479817004  -0.000443920306
  7  Al  1.965606843989  1.989376185755  4.003122588176  -0.093415960367  -0.135482700254  -0.085972626199  -0.000607805758  0.000348923392  0.002590533543
  8  Al  7.858797444368  4.025649499513  7.783607674024  0.056462733182  -0.259891913467  0.424232433340  -0.001657746455  0.002987499837  -0.004384851393
  9  Al  0.027487061482  5.910168421766  1.969208554837  -0.064185150202  -0.037817779032  0.094755727287  0.001220161893  -0.000631218441  0.000129361882
  10  Al  2.022875236684  3.864813681973  1.966971589485  -0.287767148174  0.512568619624  0.289488306039  0.001704275475  -0.002366000381  0.000419590113
  11  Al  1.989976316623  5.951205803345  0.102607337493  -0.154416100310  -0.080132115656  -0.142148895517  0.000265531932  0.001287098076  0.004891001311
  12  Al  7.856196907779  3.979560416605  3.879434526646  0.417713584824  -0.167028345002  0.268411614548  -0.000825688170  0.001276618109  -0.002452181011
  13  Al  0.007243237479  5.891109622528  5.846064876045  -0.050610292313  0.017394255298  0.319524708642  0.000242583851  -0.001384831905  -0.002902348478
  14  Al  1.954807676170  3.908331917116  5.952123149293  -0.053338784290  -0.053149555235  -0.248356973860  -0.001216793050  -0.002265527676  0.000810390266
  15  Al  2.048971086058  5.931275210260  3.858928128189  -0.443413004229  -0.171425548750  0.295355701055  0.002388976392  0.000012397030  -0.003847425060
  16  Al  4.047201883492  0.106408201064  0.002865349222  -0.158451126968  -0.260499874042  0.205916260876  0.004369344926  0.004595376916  0.000800874806
  17  Al  3.839276798306  1.884688047154  1.959017825136  0.510578151293  0.255580687684  0.043126117050  -0.003829273670  -0.003619087089  -0.000692603287
  18  Al  5.992076021244  7.805890104218  1.872057077181  -0.374974995553  0.304367539952  0.417525687835  0.002237638426  -0.003846843545  -0.003953715669
  19  Al  5.948371459778  2.068916341199  7.768408390106  -0.232228765171  -0.524575058547  0.487643049992  0.000494116191  0.003255194098  -0.005257346163
  20  Al  3.975294769819  0.104016844757  3.956804630602  -0.159748043658  -0.465879582593  -0.021037718201  0.000864054443  0.003734877620  0.000262617914
  21  Al  3.972587500689  1.945859463156  5.949508567355  -0.019607411288  0.225430248200  0.095684431808  0.001210239466  -0.000806350827  0.001720647207
  22  Al  5.923719908136  0.017161491311  5.937325082273  -0.039513036899  0.164906021297  0.065467092179  0.000081445597  0.001528868821  0.000975815094
  23  Al  5.998364609286  1.989901440988  3.927384083820  -0.283670230243  -0.035765565328  0.217747058857  0.002843436351  0.000661627719  -0.000143594903
  24  Al  3.971921867363  3.933783545426  0.106635009770  0.056665171890  -0.059278822995  -0.556034999999  0.001404291821  -0.000925041268  0.003759852262
  25  Al  3.913284756415  6.021028782155  2.066561394828  0.289818729148  -0.236251212942  -0.374908454060  -0.001081609002  0.004063379250  0.003542313082
  26  Al  5.868060448503  4.026983788980  1.906638763822  0.175450213159  -0.193908259331  0.322933485840  -0.002297116413  0.003543058851  -0.002500562407
  27  Al  5.881140669949  5.963634914404  0.088126934177  0.013678086595  -0.268063907215  -0.552376314985  -0.001839734154  0.001333658763  0.003108453880
  28  Al  3.968879178999  3.991248362895  4.018125143387  -0.059094303358  -0.059496833365  -0.291686097485  0.000833360824  0.001931407611  0.002427184974
  29  Al  3.869480861602  5.949575384657  6.051697552495  0.490726188990  -0.098664423930  -0.343266075186  -0.002363544294  0.001047715839  0.005200262716
  30  Al  5.945841658970  3.857552399686  5.941298419002  -0.129086683128  0.483064200561  -0.186983791562  0.000903382419  -0.003416972423  0.000675452246
  31  Al  6.003520426343  5.886422634837  3.933527821397  -0.368016155523  0.196394796521  -0.106602959767  0.003042089627  -0.001228187375  -0.001170050205


MDSTEP:  45
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.888579640281  0.000000000000  0.000000000000
  0.000000000000  7.888579640281  0.000000000000
  0.000000000000  0.000000000000  7.888579640281
VIRIAL (kbar)
  -10.961748698056  -0.247993232310  0.317259788771
  -0.247993232310  -11.635309550122  -1.720211043836
  0.317259788771  -1.720211043836  -4.565166635786
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.799580914160  7.860729928247  7.837853916575  0.417542613329  0.025428337106  -0.121723654049  -0.003092008722  -0.001203602242  -0.002797747965
  1  Al  7.850093855161  1.910743162639  1.884343463874  0.254713450632  0.245479794335  0.121147147058  -0.001047103288  -0.002246910074  -0.003843742722
  2  Al  1.919167812050  7.800392338570  1.929246707229  0.054929510398  0.426037907271  0.266558782539  -0.002202830393  -0.003396371178  -0.001308387325
  3  Al  1.913816688738  1.942874662555  7.863427077176  0.047243725667  -0.051036886069  -0.145709313577  -0.002554263767  -0.001478614357  -0.001844958424
  4  Al  0.021536376264  7.820344934247  4.073350523368  0.171561775474  0.207848184614  -0.662985817501  0.001528904060  -0.002792339988  0.004426387020
  5  Al  0.012239130485  1.968781572618  5.965417450602  0.001851688821  -0.069708215139  -0.275950369810  0.000542535128  -0.000355471313  0.001652822071
  6  Al  1.944209401281  7.883033071357  5.898892804247  0.041258057843  0.194873515853  0.180730527614  -0.001395634186  0.000515837571  -0.000412591464
  7  Al  1.963451012887  1.987674531691  4.000651050847  -0.098173682950  -0.139297513278  -0.099293247198  -0.000625607639  0.000324726269  0.002576794110
  8  Al  7.850583516960  4.023347513739  7.774117204075  0.062296464441  -0.265415560434  0.443287618801  -0.001648936095  0.002943778290  -0.004312047281
  9  Al  0.028068481775  5.904295356584  1.967426356725  -0.067243438706  -0.037383995780  0.092743663621  0.001209739860  -0.000638635229  0.000146274806
  10  Al  2.021813015463  3.860020448537  1.965345319570  -0.301561585820  0.515099310617  0.296303583770  0.001653424369  -0.002276664080  0.000472446911
  11  Al  1.988231553642  5.946251501378  0.104950216407  -0.155911717577  -0.084921969005  -0.162679840857  0.000238063965  0.001273741484  0.004869082328
  12  Al  7.848417625486  3.976450400015  3.874573547014  0.430506411921  -0.178968768749  0.270326836492  -0.000750719122  0.001247065023  -0.002406672814
  13  Al  0.007355468432  5.884880105023  5.839132385599  -0.049929760858  0.019169416280  0.332693668293  0.000233855941  -0.001383075409  -0.002847181877
  14  Al  1.952359270737  3.903522739790  5.946922097160  -0.048883329173  -0.041640092505  -0.256313981756  -0.001227266978  -0.002276483382  0.000766134351
  15  Al  2.048219756011  5.925698166493  3.853389954702  -0.455601731445  -0.174507098371  0.318603246134  0.002311173013  -0.000018532482  -0.003796713965
  16  Al  4.045575144393  0.108594396008  0.003272323190  -0.169590854818  -0.278775986610  0.205193415163  0.004344779224  0.004552163840  0.000838523452
  17  Al  3.833775789901  1.881118121371  1.956831886486  0.520133667848  0.263204424866  0.049550883358  -0.003741264919  -0.003576639480  -0.000685070727
  18  Al  5.987545432636  7.796642356787  1.868338933547  -0.376410184830  0.327235749253  0.436852247512  0.002172874790  -0.003794553559  -0.003881615728
  19  Al  5.943016506040  2.068575777111  7.758498760962  -0.228799141462  -0.543901829260  0.520905244106  0.000453418282  0.003163179678  -0.005172881235
  20  Al  3.971982791043  0.105765829657  3.953215489707  -0.165574888859  -0.478977115119  -0.017345401334  0.000835899564  0.003654445254  0.000259471736
  21  Al  3.969457433612  1.943637160839  5.944780506905  -0.027587584244  0.230675298927  0.088651620481  0.001207341131  -0.000766434585  0.001739016954
  22  Al  5.918190387130  0.017917218479  5.932234680628  -0.042728503370  0.154628081012  0.062364914678  0.000074178282  0.001559122122  0.000988316316
  23  Al  5.994135110256  1.988360112279  3.923630146094  -0.286663862315  -0.038749279009  0.210708401106  0.002795529746  0.000655685866  -0.000105427311
  24  Al  3.968892867209  3.929620462390  0.108389993751  0.049114004781  -0.054476372248  -0.574582840423  0.001415288917  -0.000936227833  0.003662831194
  25  Al  3.909078250342  6.017390113899  2.066373301618  0.301247477829  -0.240945696365  -0.389168562040  -0.001029921710  0.004025137385  0.003477840606
  26  Al  5.861403483206  4.024961297328  1.903610517188  0.190300091439  -0.211087074346  0.337301939987  -0.002266912166  0.003510706415  -0.002444239416
  27  Al  5.874692889357  5.958683814240  0.089573756178  0.014574720186  -0.274736591787  -0.579925994950  -0.001839218401  0.001286564324  0.003010569954
  28  Al  3.965562380189  3.988459582932  4.015548631783  -0.063988693078  -0.062787901567  -0.294982762969  0.000823262394  0.001922581096  0.002377362158
  29  Al  3.864683493117  5.944502087243  6.048593757718  0.496678236040  -0.099094583872  -0.352006289136  -0.002277806808  0.001031172128  0.005143757359
  30  Al  5.940698340029  3.852239148441  5.936042810453  -0.134630163878  0.511578356440  -0.201089859586  0.000880781094  -0.003331739229  0.000641478224
  31  Al  5.999381646310  5.880283848883  3.929240350718  -0.380672773263  0.205154152938  -0.100165805525  0.002978446686  -0.001193612326  -0.001189824542


MDSTEP:  46
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.881157235289  0.000000000000  0.000000000000
  0.000000000000  7.881157235289  0.000000000000
  0.000000000000  0.000000000000  7.881157235289
VIRIAL (kbar)
  -7.897591081736  -0.247342007808  0.344707083548
  -0.247342007808  -8.587970820850  -1.758360048926
  0.344707083548  -1.758360048926  -1.301803677832
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.790714776285  7.852733014255  7.829074815865  0.427544926388  0.025682417503  -0.118213317601  -0.003019829098  -0.001200358755  -0.002822297630
  1  Al  7.842195448551  1.907832757812  1.880653863752  0.255309525279  0.255457443391  0.126966725778  -0.001002637984  -0.002204581593  -0.003825791238
  2  Al  1.916263008502  7.791373623434  1.926789132842  0.054713885484  0.453973486809  0.272600573091  -0.002195453992  -0.003321403557  -0.001261604164
  3  Al  1.910740846021  1.940304955530  7.855099275605  0.051103247063  -0.050077263940  -0.136450784601  -0.002548285661  -0.001489290696  -0.001872233389
  4  Al  0.022288290618  7.811599736842  4.071701635449  0.169113700619  0.221149212212  -0.685982042385  0.001561064349  -0.002757048372  0.004310608582
  5  Al  0.012498986519  1.966748271677  5.960618706526  -0.000617014212  -0.067873640084  -0.285394219847  0.000543244313  -0.000368170133  0.001604434590
  6  Al  1.941684055392  7.875882531160  5.893144268420  0.053123283463  0.188308968941  0.188986437122  -0.001388732128  0.000550682030  -0.000379976099
  7  Al  1.961286376781  1.985960470986  3.998170881140  -0.099080190587  -0.139783113430  -0.111543297812  -0.000643942167  0.000300121238  0.002560778821
  8  Al  7.842375112338  4.021022073402  7.764666107534  0.063488416913  -0.272837857618  0.461461134793  -0.001639504577  0.002898880993  -0.004235877481
  9  Al  0.028643985747  5.898418961534  1.965652482072  -0.074837923787  -0.040550956592  0.088293699600  0.001198365943  -0.000646311211  0.000162629794
  10  Al  2.020723985900  3.855273126763  1.963745596787  -0.311398566843  0.515691300294  0.300063331893  0.001600420607  -0.002186973736  0.000526312555
  11  Al  1.986472891931  5.941289770139  0.107278934918  -0.153435128898  -0.093318802183  -0.185870267991  0.000210656019  0.001259203788  0.004843278525
  12  Al  7.840676854116  3.973324523550  3.869736586520  0.437842257619  -0.192418930009  0.273352624534  -0.000673874957  0.001215221144  -0.002360697411
  13  Al  0.007463254123  5.878652254882  5.832229476024  -0.053302676191  0.017145905781  0.348346642918  0.000224880018  -0.001381353422  -0.002789405873
  14  Al  1.949906419510  3.898709702504  5.941698253622  -0.040565074094  -0.030692684872  -0.261512571970  -0.001236622442  -0.002285465798  0.000720660947
  15  Al  2.047427898421  5.920105583022  3.847880006964  -0.463890335317  -0.180658477652  0.343951042684  0.002231476265  -0.000050322036  -0.003741639422
  16  Al  4.043933627523  0.110756026815  0.003697707110  -0.177265959724  -0.295599404215  0.202909407687  0.004318548259  0.004505810504  0.000875953122
  17  Al  3.828321028060  1.877571465165  1.954650344567  0.534702142848  0.274804948145  0.053590243907  -0.003651040107  -0.003532462442  -0.000676600935
  18  Al  5.982981426888  7.787423648642  1.864659559422  -0.381308839226  0.352328761575  0.454125791236  0.002107495804  -0.003737955089  -0.003806202674
  19  Al  5.937641196133  2.068186858564  7.748635376492  -0.228572860499  -0.559258458973  0.554442112655  0.000413007344  0.003067994325  -0.005082401634
  20  Al  3.968656117495  0.107472282137  3.949624860233  -0.167117691524  -0.490399584954  -0.012299636461  0.000807063148  0.003571768834  0.000257106381
  21  Al  3.966325036838  1.941435441123  5.940060571017  -0.031499862136  0.239775777469  0.083732932501  0.001203388266  -0.000725199188  0.001756355720
  22  Al  5.912657114524  0.018686891777  5.927149994512  -0.049608368507  0.145113648718  0.061195923514  0.000066000732  0.001587654289  0.001000459386
  23  Al  5.989880266255  1.986815391838  3.919895078695  -0.293475139859  -0.037820331814  0.203948992190  0.002746722229  0.000649560433  -0.000068453095
  24  Al  3.965868410730  3.925452477249  0.110093898915  0.045620875976  -0.051170957324  -0.594628010490  0.001425324752  -0.000946711077  0.003562289123
  25  Al  3.904898636051  6.013730284543  2.066150711650  0.317373821073  -0.249043574801  -0.405678452188  -0.000975723465  0.003985750649  0.003410580739
  26  Al  5.854763414652  4.022920252528  1.900612253462  0.202086532943  -0.231053288640  0.349571379951  -0.002234315471  0.003475031972  -0.002385496966
  27  Al  5.868246329478  5.953708316652  0.090968970323  0.012097466898  -0.285385332497  -0.609607289495  -0.001838862383  0.001237882005  0.002907490228
  28  Al  3.962239967280  3.985665382695  4.012945977816  -0.063830276686  -0.067805308745  -0.296689770321  0.000812737710  0.001913021476  0.002327061489
  29  Al  3.859930389424  5.939420074489  6.045458961184  0.506804975175  -0.103173095719  -0.358653429390  -0.002190560337  0.001014217555  0.005085866453
  30  Al  5.935543117055  3.846971411241  5.930769337602  -0.143815451449  0.539729749125  -0.213166295530  0.000856846530  -0.003241378010  0.000605131487
  31  Al  5.995209131382  5.874163372006  3.924943873435  -0.397303698202  0.209759444099  -0.091849609972  0.002912144732  -0.001157816120  -0.001208313171


MDSTEP:  47
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.873744318179  0.000000000000  0.000000000000
  0.000000000000  7.873744318179  0.000000000000
  0.000000000000  0.000000000000  7.873744318179
VIRIAL (kbar)
  -4.797449787801  -0.244097484433  0.376625910911
  -0.244097484433  -5.509616594137  -1.792988996815
  0.376625910911  -1.792988996815  1.996749945740
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.781895988198  7.844747749974  7.820294337166  0.440484843805  0.024003165451  -0.114490141185  -0.002945546144  -0.001197250617  -0.002846254430
  1  Al  7.834329223932  1.904947303930  1.876977559892  0.259020625892  0.262725951853  0.135878797886  -0.000957747694  -0.002160684592  -0.003806538660
  2  Al  1.913365220474  7.782404596464  1.924358143315  0.051405078890  0.480941763811  0.281086411009  -0.002188405639  -0.003241473456  -0.001213481711
  3  Al  1.907671660010  1.937732983508  7.846768576060  0.052398918105  -0.051657903422  -0.126775372829  -0.002541864138  -0.001500048641  -0.001897862841
  4  Al  0.023055480423  7.802883484615  4.069996681914  0.169188886000  0.233393575347  -0.709224378648  0.001593062942  -0.002719458954  0.004190606979
  5  Al  0.012758847670  1.964711239934  5.955801757798  -0.000347593774  -0.068442638494  -0.297784949878  0.000543762749  -0.000380773339  0.001554055713
  6  Al  1.939165680595  7.868758353034  5.887419690787  0.062605540496  0.179734679436  0.194824661505  -0.001379926169  0.000584216216  -0.000346067502
  7  Al  1.959115190494  1.984236329594  3.995685766025  -0.103022258713  -0.142447780781  -0.124220257669  -0.000662736869  0.000275210012  0.002542540537
  8  Al  7.834181688225  4.018677323696  7.755265260259  0.068126060255  -0.278254107223  0.479573448092  -0.001629556811  0.002852813217  -0.004156417969
  9  Al  0.029212933520  5.892545988370  1.963888880743  -0.079566651971  -0.041080045431  0.085976151467  0.001185888563  -0.000654332484  0.000178399115
  10  Al  2.019609683462  3.850576366588  1.962175107369  -0.324478399555  0.517360835138  0.306416472652  0.001545323489  -0.002097002571  0.000581147522
  11  Al  1.984702922219  5.936326953641  0.109591569157  -0.153842575566  -0.099421541203  -0.209400742318  0.000183404788  0.001243365029  0.004813313230
  12  Al  7.832984608580  3.970186329510  3.864928525663  0.448655335649  -0.204616848927  0.276468479339  -0.000595328644  0.001181059375  -0.002314144227
  13  Al  0.007566302301  5.872432899690  5.825364497390  -0.053623203440  0.017905619038  0.361729541631  0.000215565918  -0.001379755764  -0.002728995232
  14  Al  1.947452186265  3.893898424562  5.936458244073  -0.034988498206  -0.017771539079  -0.269476004160  -0.001244757206  -0.002292344976  0.000673966689
  15  Al  2.046597219989  5.914503971652  3.842405129024  -0.475324908604  -0.184582905909  0.369947639049  0.002149948267  -0.000083048579  -0.003681946853
  16  Al  4.042281491129  0.112891739732  0.004141308371  -0.187888659219  -0.314732776605  0.200031336515  0.004290692739  0.004456232516  0.000912970902
  17  Al  3.822918373028  1.874051342568  1.952475890387  0.545445629394  0.283764691343  0.060458547532  -0.003558486021  -0.003486431074  -0.000667152536
  18  Al  5.978390710595  7.778245502259  1.861022711727  -0.382538596714  0.376308002143  0.473909148381  0.002041516295  -0.003676940110  -0.003727427671
  19  Al  5.932252634503  2.067750687971  7.738830463941  -0.224939419693  -0.577458546090  0.587811214227  0.000372900806  0.002969731146  -0.004985885597
  20  Al  3.965319348682  0.109135320005  3.946037907418  -0.171599801674  -0.503304223656  -0.006657691651  0.000777663553  0.003486858844  0.000255696865
  21  Al  3.963194699128  1.939257434047  5.935355418084  -0.038705595827  0.245949538187  0.075699638873  0.001198448015  -0.000682558742  0.001772571935
  22  Al  5.907126530525  0.019469692818  5.922077998081  -0.053622853312  0.133562072284  0.057431098497  0.000056840258  0.001614348909  0.001012184144
  23  Al  5.985606625506  1.985269736234  3.916182957535  -0.296784854841  -0.039678790624  0.197269848122  0.002696981529  0.000643351269  -0.000032640615
  24  Al  3.962852925784  3.921284564369  0.111745073885  0.038507396623  -0.045809846709  -0.614587247970  0.001434436572  -0.000956439770  0.003458091267
  25  Al  3.900752014505  6.010055762464  2.065894625653  0.330331094774  -0.254683649124  -0.420045717817  -0.000918872957  0.003945129471  0.003340516954
  26  Al  5.848148274833  4.020863684126  1.897647330644  0.217137887461  -0.249332739769  0.364384228386  -0.002199303364  0.003435930131  -0.002324289698
  27  Al  5.861807762602  5.948714576367  0.092310037596  0.012603892410  -0.293070948192  -0.639328250527  -0.001838699820  0.001187517553  0.002799010530
  28  Al  3.958916685675  3.982870078208  4.010321824803  -0.067392807659  -0.071458028761  -0.298204632483  0.000801904628  0.001902693994  0.002276439095
  29  Al  3.855227058205  5.934336072861  6.042299802675  0.513301466208  -0.104452887259  -0.367599026251  -0.002101751145  0.000996774579  0.005026565193
  30  Al  5.930382254039  3.841756286876  5.925483998088  -0.149965199672  0.569252271308  -0.227967786736  0.000831521914  -0.003145788705  0.000566346034
  31  Al  5.991008557694  5.868068622801  3.920643809377  -0.410580777524  0.217355581917  -0.083134463040  0.002843121853  -0.001120899887  -0.001225310394


MDSTEP:  48
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.866350282045  0.000000000000  0.000000000000
  0.000000000000  7.866350282045  0.000000000000
  0.000000000000  0.000000000000  7.866350282045
VIRIAL (kbar)
  -1.665905426431  -0.241487718309  0.408312732012
  -0.241487718309  -2.399417987113  -1.823888018828
  0.408312732012  -1.823888018828  5.320603840741
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.773134979769  7.836783337277  7.811522124583  0.451124279982  0.023770325510  -0.109971183091  -0.002869096997  -0.001194320605  -0.002869525864
  1  Al  7.826504857464  1.902089714764  1.873317568288  0.259852324913  0.271753714138  0.142683587964  -0.000912409333  -0.002115299902  -0.003785892286
  2  Al  1.910476422958  7.773496941061  1.921956790111  0.050885701276  0.509537567829  0.287812730800  -0.002181711148  -0.003156512442  -0.001163955462
  3  Al  1.904611508493  1.935160907457  7.838445191576  0.056433260726  -0.051646377084  -0.116120896565  -0.002534981099  -0.001510972203  -0.001921719186
  4  Al  0.023837991568  7.794206568520  4.068238453978  0.166777861426  0.246853197817  -0.732522652932  0.001624902415  -0.002679552311  0.004066345197
  5  Al  0.013018756360  1.962672767152  5.950972606345  -0.002543823288  -0.067337643067  -0.308074913985  0.000544114210  -0.000393346047  0.001501605465
  6  Al  1.936657430888  7.861669163677  5.881726617621  0.075118267508  0.171779204263  0.202382961390  -0.001369155103  0.000616314456  -0.000310925749
  7  Al  1.956939433455  1.982504235902  3.993199351750  -0.103784758234  -0.143811946911  -0.137437867642  -0.000681979246  0.000249912995  0.002521988047
  8  Al  7.826012996739  4.016317586842  7.745925516348  0.070087222280  -0.285329308999  0.498368267496  -0.001619022045  0.002805601773  -0.004073604999
  9  Al  0.029774942863  5.886683415023  1.962137690718  -0.086632655566  -0.043129302311  0.081601145201  0.001172352669  -0.000662599126  0.000193588989
  10  Al  2.018471352296  3.845934906492  1.960636767926  -0.334589104714  0.517167539197  0.310373040787  0.001488104045  -0.002006817304  0.000636971101
  11  Al  1.982923974533  5.931369593838  0.111886170961  -0.151230670097  -0.107067726330  -0.233615840966  0.000156321906  0.001226289704  0.004779086096
  12  Al  7.825351203190  3.967039467533  3.860154244515  0.456381767807  -0.218158007671  0.279073589163  -0.000515041447  0.001144567497  -0.002267047695
  13  Al  0.007664593780  5.866229105303  5.818545585170  -0.056194273445  0.017061690108  0.376970961045  0.000205984659  -0.001378176028  -0.002665980722
  14  Al  1.944999385075  3.889094692863  5.931208438497  -0.026278149429  -0.005496122512  -0.275368758735  -0.001251634086  -0.002296998248  0.000625986762
  15  Al  2.045729145360  5.908900034144  3.836972212966  -0.483662094925  -0.189579926820  0.396163207418  0.002066579546  -0.000116610451  -0.003617549704
  16  Al  4.040622629773  0.114999979983  0.004602882853  -0.197066987794  -0.332701658990  0.197126834828  0.004261072754  0.004403319659  0.000949520862
  17  Al  3.817573333455  1.870560774376  1.950311464218  0.558712217173  0.294618804514  0.065662528689  -0.003463712202  -0.003438606683  -0.000656619603
  18  Al  5.973780311873  7.769119324827  1.857432364698  -0.386210111848  0.402282943239  0.492276410449  0.001975042642  -0.003611421004  -0.003645184960
  19  Al  5.926858221715  2.067268113622  7.729096218480  -0.223452868835  -0.593663085132  0.622586053372  0.000333210714  0.002868306869  -0.004883210241
  20  Al  3.961976816339  0.110753932436  3.942459844458  -0.173838148002  -0.514762844680  -0.001256510148  0.000747636819  0.003399705441  0.000255275833
  21  Al  3.960070510605  1.937106004692  5.930671421964  -0.044011549644  0.253829329467  0.069086711172  0.001192393652  -0.000638619578  0.001787511818
  22  Al  5.901605322791  0.020264623465  5.917025426280  -0.060359727315  0.122554290218  0.054909276845  0.000046708343  0.001639069685  0.001023368601
  23  Al  5.981321043841  1.983725350796  3.912497860159  -0.303010049086  -0.039904444491  0.189521489764  0.002646356142  0.000636954420  0.000001921069
  24  Al  3.959850512835  3.917121874768  0.113341878509  0.033481826919  -0.041819339249  -0.634430170247  0.001442485400  -0.000965351277  0.003350247185
  25  Al  3.896644197065  6.006373232138  2.065606236792  0.345601997840  -0.261638599056  -0.436109000919  -0.000859442022  0.003903371085  0.003267682341
  26  Al  5.841566376443  4.018794770862  1.894719328772  0.229879583759  -0.269916691396  0.377423905724  -0.002161785457  0.003393338593  -0.002260543136
  27  Al  5.855384216553  5.943709005424  0.093594417887  0.010714806885  -0.302733214351  -0.669541852817  -0.001838676978  0.001135555530  0.002685073169
  28  Al  3.955596943364  3.980078104234  4.007680830144  -0.068294064892  -0.076617914327  -0.299711141955  0.000790667230  0.001891583476  0.002225509950
  29  Al  3.850578674895  5.929257051578  6.039122714179  0.521914831034  -0.107365713266  -0.374971800558  -0.002011509672  0.000978945875  0.004965782338
  30  Al  5.925222278524  3.836600987885  5.920192537533  -0.158900397634  0.598271790556  -0.240903388391  0.000804826989  -0.003044883765  0.000525041159
  31  Al  5.986785895670  5.862007277486  3.916345606522  -0.426906514779  0.223199469787  -0.073986723155  0.002771398959  -0.001082750081  -0.001240739599


MDSTEP:  49
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.858984491408  0.000000000000  0.000000000000
  0.000000000000  7.858984491408  0.000000000000
  0.000000000000  0.000000000000  7.858984491408
VIRIAL (kbar)
  1.492611934177  -0.238372662642  0.442670240756
  -0.238372662642  0.733981571790  -1.851300915726
  0.442670240756  -1.851300915726  8.672111802113
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.764441943820  7.828849077183  7.802767860705  0.465842451699  0.021905227171  -0.104710616643  -0.002790316783  -0.001191584636  -0.002891971990
  1  Al  7.818731738655  1.899263052008  1.869676704639  0.265072636100  0.278141919741  0.153071498297  -0.000866485961  -0.002068502296  -0.003763715469
  2  Al  1.907598830293  7.764662454648  1.919587959358  0.046774795766  0.537601340707  0.297137867212  -0.002175440983  -0.003066413149  -0.001112947075
  3  Al  1.901563003653  1.932591021368  7.830139391397  0.057578562615  -0.053926984100  -0.104455020298  -0.002527647541  -0.001522123284  -0.001943621421
  4  Al  0.024635650219  7.785579456603  4.066429727294  0.167926784138  0.259828358746  -0.756748313327  0.001656678020  -0.002637257863  0.003937725437
  5  Al  0.013278535306  1.960635284931  5.946137421737  -0.000923084834  -0.068434569880  -0.321540162534  0.000544419001  -0.000405935380  0.001446983424
  6  Al  1.934162722466  7.854623617642  5.876072727622  0.084559110373  0.162348432216  0.207499607275  -0.001356419263  0.000646898640  -0.000274613170
  7  Al  1.954761361028  1.980766427432  3.990715224938  -0.108401631662  -0.147130318409  -0.151864201047  -0.000701730005  0.000224170664  0.002498960110
  8  Al  7.817878520135  4.013947025605  7.736657758064  0.076850130997  -0.290713532475  0.517479122270  -0.001607708174  0.002757245413  -0.003987341138
  9  Al  0.030329423940  5.880838061089  1.960400859297  -0.089985046940  -0.042640524142  0.079530274436  0.001157879111  -0.000671020034  0.000208220955
  10  Al  2.017310496030  3.841353302511  1.959133275256  -0.348167676668  0.517573580604  0.317063758436  0.001428713225  -0.001916527718  0.000693815107
  11  Al  1.981138641588  5.926424074636  0.114160736701  -0.151938541693  -0.112628514019  -0.257439745719  0.000129380108  0.001208023729  0.004740562079
  12  Al  7.817786648112  3.963887453840  3.855418560737  0.468633781463  -0.230974848605  0.281241373122  -0.000432880943  0.001105686084  -0.002219489572
  13  Al  0.007757908327  5.860047770946  5.811781016890  -0.054622072959  0.018893292321  0.389710735772  0.000196304931  -0.001376517339  -0.002600413949
  14  Al  1.942551101349  3.884304219300  5.925955370755  -0.020908044793  0.008159414220  -0.284015090986  -0.001257269361  -0.002299355861  0.000576657358
  15  Al  2.044825370618  5.903300354333  3.831588152378  -0.495696763458  -0.192626206541  0.422154750415  0.001981311435  -0.000150930536  -0.003548439442
  16  Al  4.038961058125  0.117079301972  0.005082185742  -0.210189562614  -0.352548064440  0.194322397301  0.004229459144  0.004347000339  0.000985609015
  17  Al  3.812291625870  1.867102939654  1.948159849713  0.566899141482  0.303204111274  0.073674723250  -0.003366940723  -0.003389017458  -0.000644897947
  18  Al  5.969157020966  7.760056669596  1.853892355127  -0.385653108998  0.427201290421  0.513261742069  0.001908231550  -0.003541304995  -0.003559359101
  19  Al  5.921465144986  2.066740157519  7.719444927432  -0.218187558304  -0.612679016200  0.657511158389  0.000294082582  0.002763641163  -0.004774224195
  20  Al  3.958633039119  0.112327241275  3.938895849145  -0.179999751671  -0.527373910831  0.004020505922  0.000716830959  0.003310328422  0.000255811560
  21  Al  3.956956718401  1.934984163260  5.926015064557  -0.053643483718  0.259021700191  0.059439427120  0.001185005946  -0.000593466808  0.001801028541
  22  Al  5.896099914047  0.021070736556  5.911999105221  -0.063649525874  0.110120201856  0.049742106601  0.000035668512  0.001661734713  0.001033886169
  23  Al  5.977030097930  1.982184580452  3.908843754565  -0.304928671922  -0.042684577873  0.181343112205  0.002594966735  0.000630286664  0.000035097044
  24  Al  3.956865446678  3.912969421301  0.114882686024  0.023484555099  -0.036225847161  -0.653100534317  0.001449211194  -0.000973423358  0.003238863808
  25  Al  3.892581187359  6.002689243749  2.065286582823  0.356661943345  -0.266499932733  -0.450068541781  -0.000797595836  0.003860540353  0.003192106660
  26  Al  5.835025801967  4.016716474998  1.891831660099  0.246011894392  -0.288939184145  0.393288865002  -0.002121660048  0.003347183809  -0.002194157597
  27  Al  5.848982481086  5.938697818529  0.094819528944  0.012211217965  -0.309306007684  -0.698606901650  -0.001838704142  0.001082091974  0.002565726801
  28  Al  3.952285372867  3.977293748871  4.005027640071  -0.074008759815  -0.080747211948  -0.301902584199  0.000778831791  0.001879644864  0.002174210714
  29  Al  3.845990588339  5.924189813521  6.035934252734  0.525730446257  -0.107569704598  -0.384690483674  -0.001920071113  0.000960826232  0.004903442462
  30  Al  5.920069448284  3.831512665003  5.914900846992  -0.164101904116  0.627886882872  -0.256990748940  0.000776844001  -0.002938645018  0.000481097926
  31  Al  5.982546824462  5.855986833276  3.912054735496  -0.439232261652  0.231763203447  -0.065360079981  0.002697054893  -0.001043277332  -0.001254606321


MDSTEP:  50
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.851656268445  0.000000000000  0.000000000000
  0.000000000000  7.851656268445  0.000000000000
  0.000000000000  0.000000000000  7.851656268445
VIRIAL (kbar)
  4.673750753692  -0.233256826776  0.479411474235
  -0.233256826776  3.890861087707  -1.875160351873
  0.479411474235  -1.875160351873  12.037406617645
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.755827393053  7.820954080909  7.794041248050  0.475379806267  0.021830657549  -0.099127626695  -0.002709298230  -0.001189027887  -0.002913495010
  1  Al  7.811019606543  1.896470128828  1.866058089886  0.264546009055  0.287591610687  0.159408637284  -0.000820097079  -0.002020250231  -0.003740045299
  2  Al  1.904734322373  7.755912842303  1.917254758280  0.046082083622  0.567117756084  0.303191849785  -0.002169609493  -0.002971083825  -0.001060513422
  3  Al  1.898528485644  1.930025401574  7.821861490136  0.061830989711  -0.053505858120  -0.092394327202  -0.002519841545  -0.001533464604  -0.001963440527
  4  Al  0.025448603398  7.777012528551  4.064573176526  0.163962156764  0.273823958533  -0.780077396715  0.001688250050  -0.002592522434  0.003804735196
  5  Al  0.013538349167  1.958601016732  5.941302058911  -0.004651882762  -0.066726222091  -0.331147822336  0.000544539599  -0.000418487300  0.001390246279
  6  Al  1.931684684847  7.847630196405  5.870465449657  0.097241124604  0.153897663734  0.215724245745  -0.001341700125  0.000675922782  -0.000237068068
  7  Al  1.952582872194  1.979024956321  3.988236845759  -0.109104775611  -0.148306009482  -0.166029054891  -0.000721984229  0.000197998808  0.002473367067
  8  Al  7.809788125702  4.011569935612  7.727472849782  0.077961774358  -0.298249164937  0.536894754640  -0.001595688991  0.002707698944  -0.003897562768
  9  Al  0.030876120162  5.875016940304  1.958680529620  -0.098424873155  -0.044915615206  0.074053961686  0.001142342894  -0.000679615242  0.000222195955
  10  Al  2.016128298595  3.836836141829  1.957667561748  -0.358247283954  0.516035827345  0.319572461424  0.001367149407  -0.001826251170  0.000751551591
  11  Al  1.979349208533  5.921496935865  0.116413303095  -0.149373496623  -0.120722336961  -0.282278243687  0.000102574844  0.001188524575  0.004697676598
  12  Al  7.810301316433  3.960733848991  3.850726229510  0.474469701844  -0.245045757433  0.283248089048  -0.000349012512  0.001064363652  -0.002171520538
  13  Al  0.007846396238  5.853896001511  5.805078812338  -0.057952905872  0.017916747349  0.405650840176  0.000186458370  -0.001374790470  -0.002532226653
  14  Al  1.940110109655  3.879532815094  5.920705296769  -0.012345312002  0.020776345253  -0.288884304878  -0.001261674035  -0.002299383085  0.000526067320
  15  Al  2.043887252001  5.897711657970  3.826259796266  -0.504021850024  -0.197498082854  0.448440308137  0.001894140119  -0.000185998933  -0.003474600879
  16  Al  4.037300422014  0.119128096932  0.005578982921  -0.218958083461  -0.370444791482  0.191182903019  0.004195882824  0.004287273198  0.001021213695
  17  Al  3.807078488569  1.863680800428  1.946024070391  0.580569184072  0.314540052738  0.078368662065  -0.003268129322  -0.003337615125  -0.000632031205
  18  Al  5.964527975940  7.751068949648  1.850406740039  -0.388365580862  0.454091801419  0.531002930702  0.001841166018  -0.003466501374  -0.003469998170
  19  Al  5.916080897479  2.066167581704  7.709888844885  -0.215644745129  -0.628424013377  0.693283685803  0.000255610698  0.002655767858  -0.004658825984
  20  Al  3.955292164223  0.113854268290  3.935351067407  -0.181306545749  -0.538108739856  0.009320062571  0.000685327424  0.003218786264  0.000257295865
  21  Al  3.953857163085  1.932894669031  5.921392527174  -0.058389444985  0.266831996702  0.052876531581  0.001176332526  -0.000547104140  0.001813123914
  22  Al  5.890617003264  0.021886959762  5.907005594212  -0.070135085974  0.098873870054  0.047513794774  0.000023742019  0.001682319519  0.001043761786
  23  Al  5.972740720320  1.980649531887  3.905224549543  -0.310635764734  -0.042413400412  0.172722978828  0.002542856141  0.000623391585  0.000066808265
  24  Al  3.953901538361  3.908832337631  0.116365976965  0.018645406151  -0.032603178724  -0.672181543235  0.001454628218  -0.000980687407  0.003124001236
  25  Al  3.888568591342  5.999010507270  2.064936881939  0.372824329280  -0.273502411083  -0.466825597754  -0.000733250383  0.003816628406  0.003113721302
  26  Al  5.828534903204  4.014631880718  1.888987977087  0.259614488102  -0.310444312792  0.405948519429  -0.002078845050  0.003297376256  -0.002125161490
  27  Al  5.842609614460  5.933687475410  0.095982892557  0.011027809257  -0.318989853861  -0.728545624165  -0.001838716945  0.001027121644  0.002440986194
  28  Al  3.948986156026  3.974521373410  4.002366820520  -0.073719660314  -0.086645087342  -0.303666092103  0.000766503374  0.001866809692  0.002122515629
  29  Al  3.841467696116  5.919141372968  6.032740739331  0.534640353570  -0.110402594659  -0.391504389040  -0.001827404783  0.000942421504  0.004839589344
  30  Al  5.914930323671  3.826498499006  5.909614503852  -0.172398350370  0.656624000449  -0.269588149725  0.000747627637  -0.002827087938  0.000434542568
  31  Al  5.978297351390  5.850014998044  3.907776597442  -0.455119575076  0.236995142777  -0.056155044274  0.002620122824  -0.001002533520  -0.001266903002


MDSTEP:  51
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.844374873148  0.000000000000  0.000000000000
  0.000000000000  7.844374873148  0.000000000000
  0.000000000000  0.000000000000  7.844374873148
VIRIAL (kbar)
  7.872503736464  -0.228563474719  0.516917528040
  -0.228563474719  7.062894286803  -1.895067323616
  0.516917528040  -1.895067323616  15.420413800016
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.747301312898  7.813107556114  7.785351951875  0.488517472335  0.019932173396  -0.093530378632  -0.002626177114  -0.001186652684  -0.002934062043
  1  Al  7.803377623968  1.893714014889  1.862464463111  0.267959107108  0.294877766297  0.169830427280  -0.000773402573  -0.001970459629  -0.003714874106
  2  Al  1.901885066508  7.747259874937  1.914959985730  0.043131111875  0.595372846779  0.312425600521  -0.002164111827  -0.002870497966  -0.001006659560
  3  Al  1.895510553882  1.927466348298  7.813621772886  0.064744143568  -0.054558705341  -0.080497246813  -0.002511402575  -0.001544885654  -0.001981152374
  4  Al  0.026276543566  7.768516190736  4.062671527725  0.163348702331  0.286824167720  -0.803479192897  0.001719459910  -0.002545338559  0.003667438632
  5  Al  0.013797885016  1.956572420544  5.936472671719  -0.004540124915  -0.066671935493  -0.344627410121  0.000544340440  -0.000430898679  0.001331388557
  6  Al  1.929226720449  7.840697408084  5.864912444190  0.108336725519  0.143807809778  0.220695772763  -0.001324846269  0.000703326102  -0.000198301315
  7  Al  1.950406199025  1.977282050515  3.985767669173  -0.112040957733  -0.150543844081  -0.180091625691  -0.000742591943  0.000171493078  0.002445236450
  8  Al  7.801751111585  4.009190391554  7.718381617757  0.083580843084  -0.303848912735  0.555668653851  -0.001583064729  0.002656939135  -0.003804292029
  9  Al  0.031414321235  5.869226771692  1.956978525298  -0.103054388859  -0.045137324010  0.071684142438  0.001125627551  -0.000688448154  0.000235486549
  10  Al  2.014926241766  3.832387805954  1.956242172290  -0.370276701746  0.515627288596  0.325458760451  0.001303546852  -0.001736057966  0.000810109925
  11  Al  1.977558237273  5.916594445364  0.118641821051  -0.148452950134  -0.127544211970  -0.307416619357  0.000076051473  0.001167676925  0.004650303229
  12  Al  7.802904946476  3.957582070859  3.846081958628  0.484881131545  -0.257922296112  0.285750399647  -0.000263597400  0.001020590746  -0.002123108001
  13  Al  0.007929769549  5.847780602536  5.798447228883  -0.057301161508  0.019003187611  0.418267506865  0.000176362179  -0.001373061020  -0.002461424121
  14  Al  1.937679452863  3.874786164807  5.915464763262  -0.005251628470  0.035008182604  -0.297280620548  -0.001264691720  -0.002297024120  0.000474236481
  15  Al  2.042916462666  5.892140460131  3.820993985977  -0.514714247886  -0.201216420667  0.475478969034  0.001805180923  -0.000221876987  -0.003395931489
  16  Al  4.035644729978  0.121144934558  0.006093012135  -0.231592589587  -0.390439431970  0.187187482658  0.004160381818  0.004224117256  0.001056227624
  17  Al  3.801939616593  1.860297545872  1.943906837067  0.589537561813  0.324412100260  0.086434557345  -0.003167202080  -0.003284279460  -0.000618012648
  18  Al  5.959899977137  7.742167689369  1.846979268219  -0.388037414407  0.479619047177  0.551838623716  0.001773823037  -0.003386946855  -0.003377107828
  19  Al  5.910712682074  2.065551426465  7.700440234946  -0.210900764734  -0.646061883513  0.728215752883  0.000217748443  0.002544803169  -0.004537002785
  20  Al  3.951958742077  0.115334205380  3.931830616496  -0.186386236197  -0.550084128956  0.015495008685  0.000653221266  0.003125129804  0.000259809989
  21  Al  3.950776092181  1.930840499912  5.916810222591  -0.067553522769  0.272891813929  0.042673032978  0.001166412838  -0.000499451555  0.001823745481
  22  Al  5.885162956868  0.022712329239  5.902051670068  -0.074458838206  0.085804293438  0.041857762981  0.000010835179  0.001700764020  0.001052950411
  23  Al  5.968459460519  1.979122569673  3.901644083813  -0.313480667765  -0.044247112455  0.164474998696  0.002489938162  0.000616353049  0.000097047252
  24  Al  3.950963030784  3.904715548855  0.117790196989  0.008996465358  -0.027078584680  -0.691213519372  0.001458765208  -0.000987148093  0.003005619334
  25  Al  3.884612440298  5.995343498588  2.064558089131  0.384691668255  -0.279119052402  -0.480800118269  -0.000666329159  0.003771563163  0.003032518433
  26  Al  5.822101757427  4.012543822250  1.886191628724  0.275058987736  -0.330218607368  0.421691551872  -0.002033396863  0.003243841519  -0.002053560277
  27  Al  5.836272386450  5.928684111335  0.097081953125  0.011748134671  -0.326353164518  -0.758238405970  -0.001838783514  0.000970570607  0.002310785564
  28  Al  3.945703981043  3.971765151995  3.999702946361  -0.078440724963  -0.091387328775  -0.304899321743  0.000753769590  0.001853020629  0.002070507737
  29  Al  3.837015319435  5.914118463398  6.029548712893  0.538859427472  -0.111548512133  -0.401156391049  -0.001733470586  0.000923646190  0.004774222942
  30  Al  5.909811142109  3.821565559676  5.904339350507  -0.178725805183  0.686273249980  -0.285527196343  0.000717074837  -0.002710199844  0.000385384407
  31  Al  5.974043120604  5.844099134653  3.903516612438  -0.468182757608  0.244527529615  -0.046370957857  0.002540530912  -0.000960608168  -0.001277523621


MDSTEP:  52
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.837149492029  0.000000000000  0.000000000000
  0.000000000000  7.837149492029  0.000000000000
  0.000000000000  0.000000000000  7.837149492029
VIRIAL (kbar)
  11.083850477459  -0.223349980536  0.559516984193
  -0.223349980536  10.248906140852  -1.910583434602
  0.559516984193  -1.910583434602  18.808985111564
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.738873935629  7.805318472524  7.776709561395  0.497402822039  0.018496852930  -0.087874629654  -0.002541006471  -0.001184580114  -0.002953663753
  1  Al  7.795815232426  1.890997566692  1.858898906280  0.266544741016  0.304378167122  0.176994452221  -0.000726480364  -0.001919122199  -0.003688123341
  2  Al  1.899053007244  7.738715135871  1.912706706308  0.043403785882  0.623967516620  0.318607169079  -0.002158860462  -0.002764728735  -0.000951371062
  3  Al  1.892511666873  1.924916009564  7.805430434052  0.070630861647  -0.053698555989  -0.068338287113  -0.002502181891  -0.001556346348  -0.001996744641
  4  Al  0.027119465375  7.760100684997  4.060727465387  0.158288846333  0.299881918512  -0.825738460009  0.001750208449  -0.002495784972  0.003525922214
  5  Al  0.014057173887  1.954551787386  5.931655013171  -0.009006049057  -0.064417794696  -0.354855436176  0.000543754847  -0.000443120401  0.001270350660
  6  Al  1.926792070329  7.833833542033  5.859421026271  0.122534424687  0.133416641226  0.228575417477  -0.001305718549  0.000728933053  -0.000158341731
  7  Al  1.948233354316  1.975539824337  3.983311124826  -0.111546205642  -0.151065813132  -0.193791295624  -0.000763446160  0.000144711105  0.002414604929
  8  Al  7.793777103764  4.006812606641  7.709394754711  0.084610544662  -0.310212941116  0.574353099043  -0.001569840779  0.002605066920  -0.003707586509
  9  Al  0.031943658482  5.863474401740  1.955296929777  -0.112000075113  -0.047371592950  0.066195614194  0.001107685496  -0.000697515035  0.000248090873
  10  Al  2.013705614949  3.828012740154  1.954859937420  -0.378848612677  0.514339103743  0.327702496298  0.001238036371  -0.001645923511  0.000869467561
  11  Al  1.975768123953  5.911722930518  0.120844219146  -0.144319121844  -0.136114245914  -0.333870349916  0.000049950247  0.001145435571  0.004598288557
  12  Al  7.795607613431  3.954435607659  3.841490461812  0.490042940648  -0.271123829694  0.288475842952  -0.000176692840  0.000974441061  -0.002074185079
  13  Al  0.008008096355  5.841708507266  5.791894170138  -0.060689739776  0.018154314666  0.433737040731  0.000166010655  -0.001371316604  -0.002388042846
  14  Al  1.935262022646  3.870070058051  5.910239946086  0.004779649897  0.049416102006  -0.302402906926  -0.001266188641  -0.002292114433  0.000421139783
  15  Al  2.041914446222  5.886593322941  3.815797591049  -0.521833317809  -0.206257184688  0.502980461818  0.001714537284  -0.000258581049  -0.003312313631
  16  Al  4.033997612430  0.123128200730  0.006623936471  -0.240954438858  -0.409940254098  0.182583724424  0.004122897545  0.004157381392  0.001090518880
  17  Al  3.796880246061  1.856956213062  1.941811143209  0.602934020446  0.336300155199  0.091670497017  -0.003064177565  -0.003228955921  -0.000602791868
  18  Al  5.955280042512  7.733364215418  1.843613944549  -0.390671744097  0.505842074572  0.569945387309  0.001706207188  -0.003302692356  -0.003280647817
  19  Al  5.905367842926  2.064892545383  7.691111210209  -0.208520899218  -0.661083977996  0.763463562381  0.000180481293  0.002430805036  -0.004408789494
  20  Al  3.948636949241  0.116766135475  3.928339655596  -0.187274209915  -0.561361413771  0.021949658523  0.000620548394  0.003029304741  0.000263458290
  21  Al  3.947717322645  1.928824459282  5.912274185303  -0.072692064709  0.280720279041  0.035041565651  0.001155209412  -0.000450504987  0.001832794865
  22  Al  5.879744279167  0.023545720407  5.897143749450  -0.081726220313  0.072742253371  0.038621960837  -0.000003123240  0.001716902430  0.001061360536
  23  Al  5.964193070781  1.977605852443  3.898106193215  -0.319585920396  -0.044046380433  0.156057010936  0.002436173866  0.000609164079  0.000125830732
  24  Al  3.948053701862  3.900624112099  0.119153797412  0.003422506780  -0.022087365396  -0.710576183928  0.001461554029  -0.000992681487  0.002883685281
  25  Al  3.880718345336  5.991694766011  2.064151391794  0.400702331577  -0.286361361017  -0.497344124824  -0.000596841459  0.003725318685  0.002948510756
  26  Al  5.815734549987  4.010455254539  1.883446220251  0.288040594550  -0.351102601812  0.434494524731  -0.001985366041  0.003186627980  -0.001979335819
  27  Al  5.829977679712  5.923694013974  0.098114177163  0.009915964901  -0.335948069200  -0.788772608600  -0.001838960689  0.000912443607  0.002175062118
  28  Al  3.942443052128  3.969029327256  3.997040604646  -0.078467784015  -0.096662144105  -0.305537458005  0.000740601013  0.001838330872  0.002018285250
  29  Al  3.832638323101  5.909127914741  6.026364407958  0.547067125197  -0.114488499349  -0.408180909207  -0.001638327472  0.000904489410  0.004707318567
  30  Al  5.904718262179  3.816720960739  5.899080874945  -0.187741060482  0.715904681882  -0.298365522379  0.000685118883  -0.002587891259  0.000333598007
  31  Al  5.969789975086  5.838246756177  3.899280213957  -0.484443696342  0.249783964466  -0.035801313263  0.002458239917  -0.000917496530  -0.001286343460


MDSTEP:  53
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.829989219191  0.000000000000  0.000000000000
  0.000000000000  7.829989219191  0.000000000000
  0.000000000000  0.000000000000  7.829989219191
VIRIAL (kbar)
  14.303214374321  -0.216983404984  0.600459461353
  -0.216983404984  13.439245138018  -1.923410431737
  0.600459461353  -1.923410431737  22.204735314015
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.730555019933  7.797595747548  7.768123574963  0.511329977847  0.017202858840  -0.081654795255  -0.002453710624  -0.001182755634  -0.002972241587
  1  Al  7.788341349584  1.888323814555  1.855364183477  0.270329369814  0.311057169008  0.187297505213  -0.000679295919  -0.001866288582  -0.003659799021
  2  Al  1.896240351895  7.730290145651  1.910497688785  0.039468157404  0.653161504430  0.327373498575  -0.002153942251  -0.002653683091  -0.000894686802
  3  Al  1.889534523284  1.922376679325  7.797297596560  0.073024072953  -0.055227124689  -0.055763175157  -0.002492223318  -0.001567888376  -0.002010153082
  4  Al  0.027976968548  7.751776164213  4.058743730821  0.157897603841  0.313704241758  -0.848498150196  0.001780514201  -0.002443783156  0.003380234505
  5  Al  0.014315838133  1.952541581106  5.926855057732  -0.008653656186  -0.064555969246  -0.367927941204  0.000542803529  -0.000455169311  0.001207164928
  6  Al  1.924384228797  7.827046769524  5.853998702321  0.132928013207  0.123363525945  0.233770829828  -0.001284376045  0.000752744666  -0.000117167344
  7  Al  1.946066633196  1.973800522008  3.980870630588  -0.115240470127  -0.153962630697  -0.208088775108  -0.000784614706  0.000117593212  0.002381446638
  8  Al  7.785875224050  4.004440681370  7.700522850920  0.091188642769  -0.316635007598  0.592936084114  -0.001555929457  0.002552005109  -0.003607455721
  9  Al  0.032463378184  5.857766426725  1.953637525104  -0.116078219378  -0.046768891321  0.063191725815  0.001088563687  -0.000706742049  0.000259951402
  10  Al  2.012467993531  3.823715264867  1.953523341168  -0.391562991669  0.512198908367  0.332495446031  0.001170552900  -0.001556000612  0.000929527727
  11  Al  1.973981528422  5.906888493895  0.123018312275  -0.144244479492  -0.142288761990  -0.359767837208  0.000024195647  0.001121855786  0.004541555649
  12  Al  7.788418832415  3.951297872402  3.836956425231  0.500379439300  -0.284762355497  0.291059807100  -0.000088302684  0.000925842509  -0.002024741918
  13  Al  0.008081083517  5.835686405119  5.785427724383  -0.059054202633  0.020025197579  0.446449470512  0.000155491273  -0.001369486095  -0.002312068837
  14  Al  1.932860948803  3.865390251606  5.905037243807  0.010926377198  0.063377007127  -0.310181122141  -0.001266246924  -0.002284673730  0.000366830154
  15  Al  2.040882942617  5.881076619912  3.810677474393  -0.533401401327  -0.208951896109  0.530316037112  0.001622126725  -0.000296020761  -0.003223711855
  16  Al  4.032362949933  0.125076328628  0.007171366533  -0.255162940827  -0.429355409978  0.177879010624  0.004083283723  0.004087109756  0.001124022858
  17  Al  3.791905961520  1.853659993800  1.939739705879  0.610237938403  0.345804473816  0.099540237333  -0.002959198991  -0.003171672305  -0.000586384448
  18  Al  5.950674856389  7.724669822459  1.840314505283  -0.388231990870  0.532431788579  0.590376516073  0.001638505104  -0.003213634231  -0.003180646889
  19  Al  5.900053442995  2.064192003050  7.681913817025  -0.201789529191  -0.678808776243  0.798328847633  0.000143987150  0.002313759228  -0.004274180278
  20  Al  3.945331290810  0.118149205259  3.924883323126  -0.193196309149  -0.572217900376  0.028504766568  0.000587232003  0.002931405515  0.000268275944
  21  Al  3.944684986117  1.926849486086  5.907790612613  -0.083166834883  0.285870112410  0.024629331435  0.001142602624  -0.000400343473  0.001840250464
  22  Al  5.874367141668  0.024386011527  5.892288397404  -0.084768108467  0.059899079616  0.032670819674  -0.000018019945  0.001730751387  0.001068964257
  23  Al  5.959947944179  1.976101698140  3.894614652871  -0.320818335098  -0.046331425389  0.147543719277  0.002381704257  0.000601783636  0.000153133552
  24  Al  3.945177649249  3.896562989413  0.120455200574  -0.007851972039  -0.017455003282  -0.729130774574  0.001462846776  -0.000997365734  0.002758234333
  25  Al  3.876892242637  5.988070646392  2.063717725978  0.411155145485  -0.291075792269  -0.511482873476  -0.000524909648  0.003677971282  0.002861677393
  26  Al  5.809441175606  4.008368989378  1.880755070379  0.304892129815  -0.371984989504  0.449962134455  -0.001934621858  0.003125629480  -0.001902507540
  27  Al  5.823732077329  5.918723201944  0.099076955379  0.012288251146  -0.342379002264  -0.818187437701  -0.001839099596  0.000852820943  0.002033831319
  28  Al  3.939207947467  3.966318049729  3.994384390604  -0.084026306818  -0.102531877420  -0.306480705725  0.000726921579  0.001822637123  0.001965871896
  29  Al  3.828341882465  5.904176327839  6.023194228495  0.549389109368  -0.114691401196  -0.417707478471  -0.001542141536  0.000885034248  0.004638881732
  30  Al  5.899657732919  3.811971767961  5.893844772255  -0.192386086442  0.744222693855  -0.314038808543  0.000651907825  -0.002460271864  0.000279203290
  31  Al  5.965543403591  5.832465102819  3.895072857944  -0.495800393952  0.257665653740  -0.025415912614  0.002373396770  -0.000873164875  -0.001293305901


MDSTEP:  54
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.822903043452  0.000000000000  0.000000000000
  0.000000000000  7.822903043452  0.000000000000
  0.000000000000  0.000000000000  7.822903043452
VIRIAL (kbar)
  17.524725004694  -0.211047688304  0.646988509195
  -0.211047688304  16.632693137910  -1.930718541807
  0.646988509195  -1.930718541807  25.596165257557
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.722354669384  7.789948204699  7.759603432505  0.522080961490  0.015538687921  -0.074314178182  -0.002364117714  -0.001181199205  -0.002989641887
  1  Al  7.780965252969  1.885695509506  1.851863309883  0.271008418234  0.320106664327  0.195072625602  -0.000631660741  -0.001811995610  -0.003629841965
  2  Al  1.893448903041  7.721996372995  1.908335907082  0.039284691053  0.681475438480  0.333799457268  -0.002149396915  -0.002537377155  -0.000836582131
  3  Al  1.886581480754  1.919850409724  7.789233312867  0.078855266389  -0.054443981223  -0.041908056979  -0.002481529228  -0.001579517810  -0.002021222268
  4  Al  0.028849072756  7.743552742988  4.056722968105  0.154498932952  0.326655060549  -0.871139726207  0.001810524394  -0.002389337702  0.003230332754
  5  Al  0.014573931387  1.950544024612  5.922078446374  -0.011378075625  -0.062365014783  -0.378331466422  0.000541641477  -0.000467050687  0.001141811731
  6  Al  1.922006322953  7.820345188047  5.848652660683  0.146735923211  0.112455152842  0.241115013637  -0.001260850001  0.000774712356  -0.000074824144
  7  Al  1.943907928655  1.972066148606  3.978449499946  -0.115168864065  -0.154672379350  -0.223131589762  -0.000806135502  0.000090121857  0.002345636601
  8  Al  7.778054983663  4.002078659871  7.691776380858  0.094763511435  -0.322896239141  0.612463336848  -0.001541101134  0.002497759294  -0.003503816904
  9  Al  0.032973162457  5.852109616619  1.952002289654  -0.122904829344  -0.048443927890  0.057639727647  0.001068449401  -0.000716078987  0.000271061551
  10  Al  2.011214555902  3.819499572113  1.952235071523  -0.400329758962  0.510281192831  0.334332060862  0.001101075262  -0.001466343872  0.000990254830
  11  Al  1.972200720773  5.902097373873  0.125161968459  -0.140543529079  -0.150712266932  -0.385300604493  -0.000001250932  0.001096948150  0.004480177861
  12  Al  7.781348477844  3.948172186196  3.832484468765  0.507140289178  -0.297783429419  0.292690403265  0.000001718793  0.000874807290  -0.001974874008
  13  Al  0.008148886977  5.829721148283  5.779055653805  -0.060073221306  0.019840745585  0.461186151595  0.000145015588  -0.001367509042  -0.002233562345
  14  Al  1.930478986225  3.860752407465  5.899862737697  0.020392204947  0.078163371923  -0.315353517625  -0.001264914656  -0.002274663655  0.000311300908
  15  Al  2.039823267294  5.875596854126  3.805640430193  -0.540907732844  -0.213410423501  0.556533800134  0.001527910537  -0.000334145084  -0.003130232195
  16  Al  4.030744140492  0.126987761731  0.007734905836  -0.267288207296  -0.449144824873  0.173734772805  0.004041287608  0.004013269031  0.001156779360
  17  Al  3.787021749501  1.850411838461  1.937695451067  0.620335093985  0.357635424297  0.105152206797  -0.002852556193  -0.003112428776  -0.000568754824
  18  Al  5.946091477960  7.716095731416  1.837084867151  -0.389183942512  0.558296627757  0.608466453352  0.001570865398  -0.003119795934  -0.003077099332
  19  Al  5.894776854647  2.063450595815  7.672859960975  -0.197887215621  -0.693660845695  0.834103053930  0.000108402619  0.002193674698  -0.004133116454
  20  Al  3.942045769024  0.119482599859  3.921466714292  -0.196355992360  -0.583278512827  0.034156212096  0.000553067411  0.002831446169  0.000274192328
  21  Al  3.941682685418  1.924918254241  5.903365376346  -0.091044270557  0.292960589467  0.016227965044  0.001128344972  -0.000349030839  0.001846040434
  22  Al  5.869038014283  0.025232102523  5.887491858546  -0.091096231863  0.046374611640  0.028654116597  -0.000033772144  0.001742265886  0.001075690165
  23  Al  5.955730831732  1.974612176627  3.891173177496  -0.325626979507  -0.046396271895  0.138029789238  0.002326642370  0.000594187270  0.000178856149
  24  Al  3.942338409863  3.892537056974  0.121692901016  -0.016625028146  -0.012393589909  -0.746544532107  0.001462354610  -0.001001192967  0.002629433644
  25  Al  3.873139520022  5.984477626426  2.063258217420  0.424202202810  -0.297863822254  -0.527602694081  -0.000450794909  0.003629557406  0.002772050242
  26  Al  5.803229795199  4.006287787884  1.878121709521  0.318495764597  -0.392623304908  0.463054829595  -0.001881103741  0.003060860935  -0.001823044468
  27  Al  5.817542457341  5.913777897258  0.099967777312  0.011574364452  -0.351030410016  -0.846800216108  -0.001839098952  0.000791784103  0.001887255877
  28  Al  3.936002698530  3.963635365671  3.991738820432  -0.086573299308  -0.107933389086  -0.308167658417  0.000712504668  0.001805925530  0.001913171800
  29  Al  3.824130594645  5.899270469759  6.020044279162  0.554437837651  -0.116942956447  -0.425045444242  -0.001445192135  0.000865341157  0.004568878868
  30  Al  5.894635915009  3.807324877496  5.888636404097  -0.200145940231  0.773085073296  -0.327110335746  0.000617551736  -0.002327401374  0.000222175633
  31  Al  5.961309254869  5.826761570635  3.890899929756  -0.510672343758  0.263126949233  -0.015661955941  0.002286120329  -0.000827592436  -0.001298480985


MDSTEP:  55
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.815899830681  0.000000000000  0.000000000000
  0.000000000000  7.815899830681  0.000000000000
  0.000000000000  0.000000000000  7.815899830681
VIRIAL (kbar)
  20.742742926908  -0.204274480353  0.694194318732
  -0.204274480353  19.821275537579  -1.934761965525
  0.694194318732  -1.934761965525  28.982948355820
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.714282580667  7.782384510297  7.751158547824  0.533381426217  0.013817345173  -0.067058017391  -0.002272457703  -0.001179948591  -0.003005768820
  1  Al  7.773695820134  1.883115583378  1.848399041149  0.272157238245  0.327799761923  0.204813249997  -0.000583809246  -0.001756149219  -0.003598297982
  2  Al  1.890680765945  7.713845085541  1.906224095854  0.036971645822  0.710006288894  0.341561037239  -0.002145078318  -0.002415861454  -0.000777144213
  3  Al  1.883655171389  1.917339426961  7.781247624680  0.083278701587  -0.054582099739  -0.028426035236  -0.002469915468  -0.001591109461  -0.002029867161
  4  Al  0.029735531368  7.735440334131  4.054667769689  0.151403122905  0.339980660452  -0.893215118861  0.001839995862  -0.002332488174  0.003076269845
  5  Al  0.014831232705  1.948561517541  5.917330965869  -0.013687285553  -0.061061419202  -0.390508718826  0.000540030002  -0.000478635172  0.001074367310
  6  Al  1.919661753792  7.813736696970  5.843390190612  0.158808539549  0.101612464274  0.246907666150  -0.001234986666  0.000794763054  -0.000031256918
  7  Al  1.941759438262  1.970338873368  3.976050919633  -0.117012184836  -0.156246476989  -0.237660070994  -0.000827843060  0.000062414640  0.002307149244
  8  Al  7.770325501276  3.999730540238  7.683165779716  0.099202567131  -0.329157030215  0.631130701912  -0.001525544960  0.002442340428  -0.003396655246
  9  Al  0.033472448249  5.846510444611  1.950392943803  -0.129303611706  -0.048709934459  0.053570366786  0.001047133031  -0.000725603307  0.000281325068
  10  Al  2.009946801920  3.815369813166  1.950997523980  -0.410794578204  0.507637867685  0.337468472765  0.001029801030  -0.001376996847  0.001051501377
  11  Al  1.970428263898  5.897355515992  0.127273091117  -0.138515945384  -0.157977195943  -0.411389411442  -0.000026214670  0.001070612652  0.004414129249
  12  Al  7.774405983867  3.945061863398  3.828079064924  0.514495572679  -0.311089805701  0.294993753828  0.000093107626  0.000821361262  -0.001924604234
  13  Al  0.008211425269  5.823819311697  5.772785809178  -0.060446085697  0.020952482814  0.474201013285  0.000134403807  -0.001365452284  -0.002152491228
  14  Al  1.928119154587  3.856162197991  5.894722648631  0.028212088951  0.092693801438  -0.322063387256  -0.001262039730  -0.002262028728  0.000254645489
  15  Al  2.038737067132  5.870160277453  3.800693090595  -0.550510940700  -0.216858963732  0.583372758058  0.001432060548  -0.000373022375  -0.003031910552
  16  Al  4.029144709724  0.128860912083  0.008314209966  -0.280201565721  -0.468934359137  0.168638000398  0.003997019304  0.003935818336  0.001188752002
  17  Al  3.782232784680  1.847214873161  1.935681072099  0.629050727858  0.368523568073  0.112259887550  -0.002744118158  -0.003051096733  -0.000549969221
  18  Al  5.941536570845  7.707652974850  1.833928706506  -0.387320204474  0.584394431555  0.627665798971  0.001503234992  -0.003021213062  -0.002970108294
  19  Al  5.889545104352  2.062669345161  7.663961505573  -0.191841188837  -0.709420966260  0.868812631836  0.000073667057  0.002070721163  -0.003985600522
  20  Al  3.938784571241  0.120765486365  3.918094782493  -0.200230549977  -0.593672764136  0.040669379694  0.000518236123  0.002729462932  0.000281204842
  21  Al  3.938714194778  1.923033581393  5.899004437820  -0.099974763788  0.298919341101  0.006100628259  0.001112571824  -0.000296492701  0.001850187191
  22  Al  5.863762980492  0.026082834395  5.882760459427  -0.095240738454  0.032874565657  0.022970900846  -0.000050479583  0.001751383445  0.001081560575
  23  Al  5.951548073439  1.973139525905  3.887785331693  -0.327894057760  -0.047615207389  0.129060615523  0.002270892971  0.000586469645  0.000202956030
  24  Al  3.939539684132  3.888551166761  0.122865494534  -0.026599257747  -0.007537067176  -0.764174718308  0.001460190823  -0.001004141530  0.002497359156
  25  Al  3.869465737212  5.980921917559  2.062773784414  0.436065826138  -0.303512621368  -0.542428730094  -0.000374367549  0.003579989464  0.002679561985
  26  Al  5.797108186669  4.004214372830  1.875549425315  0.334189137003  -0.413362618851  0.477422155273  -0.001824910373  0.002992328213  -0.001741040074
  27  Al  5.811415327880  5.908864030409  0.100784202237  0.013080392243  -0.358129583001  -0.875317610308  -0.001839034897  0.000729270609  0.001735407323
  28  Al  3.932831544839  3.960985303049  3.989108282891  -0.090274492663  -0.113960002381  -0.309028116425  0.000697514976  0.001788179564  0.001860190325
  29  Al  3.820009240086  5.894416832568  6.016920770753  0.558004028228  -0.118055872472  -0.433638293262  -0.001347365278  0.000845327724  0.004497388105
  30  Al  5.889658798188  3.802787173868  5.883461271240  -0.205707255311  0.800972271149  -0.341573841845  0.000581966615  -0.002189309531  0.000162619539
  31  Al  5.957092971207  5.821143247456  3.886766695437  -0.522746307743  0.269699137966  -0.005136948120  0.002196341348  -0.000780893963  -0.001301853360


MDSTEP:  56
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.808988311133  0.000000000000  0.000000000000
  0.000000000000  7.808988311133  0.000000000000
  0.000000000000  0.000000000000  7.808988311133
VIRIAL (kbar)
  23.951753642151  -0.197319689288  0.743260785234
  -0.197319689288  23.002900861723  -1.932375332762
  0.743260785234  -1.932375332762  32.354489627125
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.706348364442  7.774913188854  7.742798188356  0.540938175325  0.012039412254  -0.059554863447  -0.002179011770  -0.001179013570  -0.003020604595
  1  Al  7.766541835810  1.880586812794  1.844974272298  0.269380531404  0.336725009896  0.213603091634  -0.000536049564  -0.001698757172  -0.003565071941
  2  Al  1.887937819738  7.705847435899  1.904165076214  0.037043882410  0.737780790839  0.348539384278  -0.002140962466  -0.002289175707  -0.000716321130
  3  Al  1.880758065630  1.914845839190  7.773350402645  0.089778145563  -0.053610977717  -0.014736418313  -0.002457319543  -0.001602645557  -0.002036098531
  4  Al  0.030636127341  7.727448747784  4.052580709342  0.144358869211  0.352610945621  -0.914555924603  0.001868600946  -0.002273258534  0.002918154150
  5  Al  0.015087558679  1.946596345553  5.912618141799  -0.019865260374  -0.058394262912  -0.401716519124  0.000537659303  -0.000489879613  0.001004756084
  6  Al  1.917353732886  7.807229067188  5.838218342145  0.173184038985  0.090138222842  0.253142049236  -0.001206731568  0.000812843566  0.000013436844
  7  Al  1.939623153136  1.968620753635  3.973678055585  -0.116182271306  -0.156627605654  -0.251962587561  -0.000849669415  0.000034500429  0.002266045918
  8  Al  7.762695836229  3.997400253484  7.674701270087  0.099911590191  -0.335471587031  0.649593524637  -0.001509515359  0.002385740405  -0.003286058886
  9  Al  0.033960711110  5.840975407208  1.948811307104  -0.139139327994  -0.050131364596  0.048796850244  0.001024343182  -0.000735292160  0.000290810505
  10  Al  2.008666044722  3.811330007855  1.949813179003  -0.418619205231  0.505002916390  0.339542981129  0.000956811184  -0.001288022492  0.001113289068
  11  Al  1.968666536486  5.892668867895  0.129349536170  -0.134266105754  -0.166287126817  -0.437732465197  -0.000050646082  0.001042856908  0.004343328598
  12  Al  7.767600704795  3.941970124314  3.823744678196  0.517701718581  -0.323852933512  0.297407152701  0.000185548086  0.000765523759  -0.001873860501
  13  Al  0.008268674534  5.817987483270  5.766625785932  -0.064076062059  0.020951292945  0.487442096502  0.000123422050  -0.001363298456  -0.002068984297
  14  Al  1.925784291440  3.851625203147  5.889622956970  0.038000325814  0.107822641049  -0.328024276432  -0.001257590693  -0.002246733734  0.000196791455
  15  Al  2.037625766275  5.864773128902  3.795842075432  -0.557219277557  -0.221036351440  0.610154924187  0.001334644590  -0.000412628430  -0.002928688127
  16  Al  4.027568047402  0.130694193161  0.008908851343  -0.290345573716  -0.488640269853  0.163160444840  0.003950650530  0.003854757852  0.001219820103
  17  Al  3.777544050908  1.844072104762  1.933699362136  0.641199305649  0.380542275579  0.118944469973  -0.002633696719  -0.002987654550  -0.000529929851
  18  Al  5.937016948192  7.699352470526  1.830849765231  -0.387430101721  0.610045617886  0.646272650216  0.001435687745  -0.002917896532  -0.002859620824
  19  Al  5.884365307627  2.061849155962  7.655230084013  -0.187312070423  -0.723282543472  0.903097286763  0.000039837206  0.001944981622  -0.003831754553
  20  Al  3.935551752591  0.121997091099  3.914772490834  -0.200484912350  -0.604107671672  0.047349371235  0.000482996652  0.002625506902  0.000289406646
  21  Al  3.935783127035  1.921198151316  5.894713504158  -0.105480990169  0.305583212425  -0.003790986085  0.001095492699  -0.000242765197  0.001852554385
  22  Al  5.858548216758  0.026937052188  5.878100277050  -0.101517963126  0.019081877235  0.017341141725  -0.000068138919  0.001758076246  0.001086429567
  23  Al  5.947406135343  1.971685847229  3.884454661818  -0.332634614958  -0.047751658327  0.120020391726  0.002214459484  0.000578623785  0.000225473738
  24  Al  3.936784998544  3.884610083621  0.123971556188  -0.033236294771  -0.002671872785  -0.781475806065  0.001456543601  -0.001006227342  0.002362014536
  25  Al  3.865876282108  5.977409733287  2.062265426881  0.450960515236  -0.309964725326  -0.557117513035  -0.000295458771  0.003529293517  0.002584334891
  26  Al  5.791084212933  4.002151390985  1.873041586140  0.348058355330  -0.434124419110  0.491039189935  -0.001766013297  0.002920013465  -0.001656442760
  27  Al  5.805357292142  5.903987567864  0.101523795297  0.013071058814  -0.366340807320  -0.903601519237  -0.001838843177  0.000665317171  0.001578306661
  28  Al  3.929698555129  3.958371767276  3.986497173037  -0.090367391118  -0.119809623702  -0.309759973935  0.000682170801  0.001769356672  0.001807010995
  29  Al  3.815982400381  5.889621908638  6.013829702305  0.564702243411  -0.120047018620  -0.442086216937  -0.001248510783  0.000825016180  0.004424305033
  30  Al  5.884732466583  3.798365388463  5.878324646788  -0.213101319753  0.828754772649  -0.355018973507  0.000545183107  -0.002046084397  0.000100498077
  31  Al  5.952900142835  5.815617219302  3.882678420866  -0.537010013544  0.275073832258  0.005687042518  0.002104109237  -0.000733075036  -0.001303324418


MDSTEP:  57
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.802177063641  0.000000000000  0.000000000000
  0.000000000000  7.802177063641  0.000000000000
  0.000000000000  0.000000000000  7.802177063641
VIRIAL (kbar)
  27.147544415591  -0.189184921604  0.795274598249
  -0.189184921604  26.167549707309  -1.926531831681
  0.795274598249  -1.926531831681  35.708968583081
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.698561146238  7.767542607416  7.734531489197  0.554626749492  0.010077612020  -0.051214409479  -0.002083562253  -0.001178415288  -0.003034048947
  1  Al  7.759511583337  1.878112047002  1.841591773501  0.272896444833  0.344107580089  0.222819529335  -0.000488169419  -0.001639844020  -0.003530206354
  2  Al  1.885222117284  7.698014359526  1.902161562667  0.034922573224  0.765147415102  0.355400612621  -0.002137031097  -0.002157415783  -0.000654190964
  3  Al  1.877892780015  1.912371814178  7.765551382620  0.094714479635  -0.053701482040  -0.000503603516  -0.002443692831  -0.001614120864  -0.002039845184
  4  Al  0.031550293058  7.719587580372  4.050464348451  0.143432643600  0.365404511567  -0.935926473294  0.001896531743  -0.002211691806  0.002756041157
  5  Al  0.015342380340  1.944650877623  5.907945471562  -0.019905409670  -0.057009443219  -0.412930939705  0.000534731117  -0.000500776119  0.000933060575
  6  Al  1.915085639680  7.800829862962  5.833144092610  0.184967797058  0.078968022027  0.259331643033  -0.001176106826  0.000828921912  0.000059294248
  7  Al  1.937501264176  1.966913914723  3.971334018906  -0.117960745359  -0.158337298317  -0.266737958030  -0.000871608522  0.000006366648  0.002222299817
  8  Al  7.755174562156  3.995091650381  7.666392905454  0.107252791439  -0.341656546410  0.668306211332  -0.001492751142  0.002327962789  -0.003172017011
  9  Al  0.034437119467  5.835510783149  1.947259098855  -0.142696764412  -0.049929748541  0.043897098759  0.001000331518  -0.000745103518  0.000299442558
  10  Al  2.007373794249  3.807384102709  1.948684387081  -0.428609590937  0.502133681537  0.341068583044  0.000882145095  -0.001199440075  0.001175474161
  11  Al  1.966918077256  5.888043170273  0.131389138354  -0.132191986071  -0.173371503849  -0.463090810489  -0.000074540513  0.001013694588  0.004267832562
  12  Al  7.760941475527  3.938900161078  3.819485707193  0.526855658257  -0.336574717299  0.299231542620  0.000279202783  0.000707343444  -0.001822683613
  13  Al  0.008320319485  5.812232036776  5.760583086929  -0.061616788616  0.022667047623  0.500425874733  0.000112323078  -0.001360992563  -0.001983039668
  14  Al  1.923477371512  3.847146979234  5.884569594860  0.045614705301  0.122483289795  -0.333559500263  -0.001251583286  -0.002228762434  0.000137841979
  15  Al  2.036491007961  5.859441467189  3.791093924390  -0.566772571039  -0.223835011597  0.635554034903  0.001235663840  -0.000452905970  -0.002820685515
  16  Al  4.026017717084  0.132486026713  0.009518370323  -0.306571784543  -0.508427832436  0.158149100720  0.003901879754  0.003770080638  0.001249989700
  17  Al  3.772960764395  1.840986602783  1.931753038827  0.646282983945  0.391396753550  0.125187888535  -0.002521612099  -0.002922100518  -0.000508712104
  18  Al  5.932539132301  7.691204945511  1.827851695322  -0.384411360628  0.635248328277  0.664234986065  0.001368325747  -0.002809918411  -0.002745741008
  19  Al  5.879244329809  2.060991062795  7.646677141488  -0.180315943140  -0.738184059622  0.937244463705  0.000006998865  0.001816527606  -0.003671618097
  20  Al  3.932351615484  0.123176635791  3.911504742126  -0.207067836571  -0.614225870552  0.053363443013  0.000447105724  0.002519598172  0.000298754357
  21  Al  3.932893325858  1.919414674397  5.890498191623  -0.117568736084  0.310992052342  -0.013494105867  0.001076822864  -0.000187895627  0.001853176758
  22  Al  5.853399594736  0.027793576504  5.873517280678  -0.104963818315  0.005351673085  0.011721567273  -0.000086688840  0.001762319831  0.001090301025
  23  Al  5.943311148940  1.970253301031  3.881184633092  -0.334068998500  -0.049119751013  0.110755745252  0.002157413862  0.000570635790  0.000246381004
  24  Al  3.934078103343  3.880718496531  0.125009688345  -0.046700327887  0.002163506105  -0.797562915867  0.001451098124  -0.001007450682  0.002223531655
  25  Al  3.862376740018  5.973947103154  2.061734118442  0.458929701671  -0.315235617715  -0.572233614884  -0.000214413344  0.003477499549  0.002486337601
  26  Al  5.785165460553  4.000101411688  1.870601456624  0.363607564528  -0.454273892506  0.504367617782  -0.001704420778  0.002843962766  -0.001569340858
  27  Al  5.799374702768  5.899154261723  0.102184139083  0.015173449473  -0.372622662115  -0.930275839879  -0.001838469160  0.000599994390  0.001416110625
  28  Al  3.926608045118  3.955798604783  3.983909821587  -0.096954646263  -0.125815630276  -0.311011457407  0.000666213047  0.001749456226  0.001753597139
  29  Al  3.812054863398  5.884891998341  6.010776973723  0.564601744553  -0.120809639839  -0.450003473841  -0.001148954026  0.000804436871  0.004349685020
  30  Al  5.879862726270  3.794066170188  5.873231779543  -0.217713875600  0.855365642159  -0.368280192359  0.000507284107  -0.001897831953  0.000035915332
  31  Al  5.948736049644  5.810190352398  3.878640321780  -0.547788103373  0.281623592069  0.015765352156  0.002009535151  -0.000684135590  -0.001302931104


MDSTEP:  58
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.795474502545  0.000000000000  0.000000000000
  0.000000000000  7.795474502545  0.000000000000
  0.000000000000  0.000000000000  7.795474502545
VIRIAL (kbar)
  30.318916911995  -0.182066440926  0.849799965687
  -0.182066440926  29.314393889508  -1.916343871350
  0.849799965687  -1.916343871350  39.039340343474
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.690930436793  7.760280951192  7.726367493023  0.561860120829  0.008150169752  -0.043276476011  -0.001986133974  -0.001178166798  -0.003046059599
  1  Al  7.752613745327  1.875693956888  1.838254310357  0.270363192169  0.353149644750  0.231805373499  -0.000440146344  -0.001579396232  -0.003493679456
  2  Al  1.882535472746  7.690356593497  1.900216219671  0.035899575148  0.791863104465  0.362100651278  -0.002133202187  -0.002020668454  -0.000590776357
  3  Al  1.875061748836  1.909919382048  7.757860182787  0.102498762585  -0.051813039077  0.013358612707  -0.002428917647  -0.001625452340  -0.002041087566
  4  Al  0.032478010224  7.711866278701  4.048321160327  0.136435322214  0.377773241945  -0.955971963033  0.001923790666  -0.002147806992  0.002590039534
  5  Al  0.015595717710  1.942727326231  5.903318326964  -0.026086289179  -0.053703199664  -0.423903133599  0.000531244195  -0.000511266871  0.000859298478
  6  Al  1.912860580870  7.794546512444  5.828174293500  0.199681088778  0.067422900582  0.265257062138  -0.001143078577  0.000842988995  0.000106289226
  7  Al  1.935395686603  1.965220321127  3.969021796492  -0.116449750304  -0.158256925578  -0.280687734152  -0.000893599182  -0.000021945829  0.002175937831
  8  Al  7.747770680508  3.992808510912  7.658250598428  0.108790240546  -0.348023058260  0.686076844434  -0.001475176355  0.002268999845  -0.003054584990
  9  Al  0.034901403011  5.830122872014  1.945737986474  -0.152051875576  -0.051355375676  0.038918126391  0.000975138868  -0.000755037503  0.000307201714
  10  Al  2.006071323990  3.803535943120  1.947613411441  -0.434913331751  0.498958745978  0.341942512608  0.000805935917  -0.001111297165  0.001237949349
  11  Al  1.965185188443  5.883484149853  0.133389821332  -0.126985891236  -0.182141515611  -0.489098102970  -0.000097811878  0.000983082123  0.004187662706
  12  Al  7.754437501474  3.935855085961  3.815306415945  0.529498110962  -0.349075170469  0.301770775323  0.000374023043  0.000646840338  -0.001771060437
  13  Al  0.008366588949  5.806559375156  5.754665069927  -0.064470877211  0.022783620555  0.513026271311  0.000101176031  -0.001358523058  -0.001894710147
  14  Al  1.921201133265  3.842732957278  5.879568407299  0.055870069339  0.137423065371  -0.338870621271  -0.001243973113  -0.002208127169  0.000077853507
  15  Al  2.035334137654  5.854171349249  3.786454972543  -0.572429757815  -0.227908578875  0.661492133683  0.001135209224  -0.000493846436  -0.002707970352
  16  Al  4.024496657716  0.134234827345  0.010142350922  -0.317562664698  -0.527957328525  0.152228313162  0.003850625802  0.003681795518  0.001279219499
  17  Al  3.768487429234  1.837961291466  1.929844739541  0.656994336601  0.403996470361  0.131522456519  -0.002407988800  -0.002854378084  -0.000486345491
  18  Al  5.928109800642  7.683220923583  1.824938051612  -0.384268727784  0.659885878647  0.681745700669  0.001301170620  -0.002697361649  -0.002628560667
  19  Al  5.874189132321  2.060095963366  7.638313948727  -0.175794567919  -0.750786048860  0.970019403738  -0.000024847677  0.001685466833  -0.003505315775
  20  Al  3.929187813463  0.124303368945  3.908296297933  -0.207844328723  -0.624068511801  0.060069559150  0.000410515412  0.002411785357  0.000309251523
  21  Al  3.930047964496  1.917685709349  5.886364011443  -0.123951651914  0.317668267025  -0.023387193760  0.001056481289  -0.000131881148  0.001852051022
  22  Al  5.848323115187  0.028651235096  5.869017318081  -0.111219978275  -0.008326627953  0.005901567263  -0.000106128551  0.001764120526  0.001093156129
  23  Al  5.939269417709  1.968843896693  3.877978609375  -0.338631256955  -0.048789712816  0.102013482124  0.002099769736  0.000562546834  0.000265702559
  24  Al  3.931422057124  3.876881008709  0.125978599107  -0.054672909708  0.006879515910  -0.813637172200  0.001443731915  -0.001007823282  0.002082014508
  25  Al  3.858971997297  5.970540039904  2.061180752103  0.472334463999  -0.321921319011  -0.586749693413  -0.000131361484  0.003424583007  0.002385580302
  26  Al  5.779359543588  3.998066976532  1.868232236089  0.376456204401  -0.474422718756  0.517537625196  -0.001640219599  0.002764224458  -0.001479770014
  27  Al  5.793473976446  5.894369911525  0.102762955936  0.014921056575  -0.380268240644  -0.956878784858  -0.001837933267  0.000533350553  0.001248961903
  28  Al  3.923563667660  3.953269566456  3.981350430101  -0.097634955846  -0.131889476059  -0.311646318506  0.000649587964  0.001728455747  0.001699955818
  29  Al  3.808230729352  5.880233388457  6.007768409849  0.569810638740  -0.122923009057  -0.458176822132  -0.001048826189  0.000783577956  0.004273547812
  30  Al  5.875055507811  3.789895984268  5.868187809354  -0.224891148413  0.881414478000  -0.381060297125  0.000468287193  -0.001744699464  -0.000031072453
  31  Al  5.944606158252  5.804869495722  3.874657463965  -0.561553219578  0.286260753353  0.026557841836  0.001912659237  -0.000634139614  -0.001300673264


MDSTEP:  59
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.788888862635  0.000000000000  0.000000000000
  0.000000000000  7.788888862635  0.000000000000
  0.000000000000  0.000000000000  7.788888862635
VIRIAL (kbar)
  33.468358990180  -0.173777380705  0.905193447846
  -0.173777380705  32.431283870374  -1.900877401216
  0.905193447846  -1.900877401216  42.340135931974
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.683464992280  7.753136228099  7.718315024443  0.574172114207  0.005983400857  -0.034174305858  -0.001886846179  -0.001178286152  -0.003056564989
  1  Al  7.745856285472  1.873335317866  1.834964581836  0.272336353304  0.359373928364  0.241668880513  -0.000392117718  -0.001517514442  -0.003455429210
  2  Al  1.879879931125  7.682884640434  1.898331654227  0.032881348875  0.818183183105  0.369327649626  -0.002129554814  -0.001879019738  -0.000526042475
  3  Al  1.872267615027  1.907490703458  7.750286207113  0.106633220440  -0.052758538291  0.028042658169  -0.002413062885  -0.001636715389  -0.002039781177
  4  Al  0.033418720100  7.704294072765  4.046153642923  0.133854614075  0.389879714109  -0.976283942522  0.001950227910  -0.002081661308  0.002420237205
  5  Al  0.015847042030  1.940828030039  5.898741964805  -0.027897199577  -0.052881242925  -0.435339668349  0.000527039155  -0.000521401484  0.000783446690
  6  Al  1.910681880499  7.788386231876  5.823315639742  0.210562273211  0.055665642058  0.270313882774  -0.001107723932  0.000854989504  0.000154321914
  7  Al  1.933308583475  1.963542051455  3.966744359197  -0.118765769106  -0.160969520980  -0.295383366534  -0.000915689103  -0.000050527029  0.002126962553
  8  Al  7.740492493935  3.990554508492  7.650283999872  0.115064428188  -0.354041330321  0.704216011762  -0.001456884554  0.002208863513  -0.002933807867
  9  Al  0.035352772933  5.824817692386  1.944249585933  -0.156859116995  -0.049852112447  0.034557458329  0.000948651374  -0.000764977419  0.000314135023
  10  Al  2.004760190071  3.799789259848  1.946602415201  -0.445287809505  0.495414053197  0.343295322153  0.000728146697  -0.001023653682  0.001300699044
  11  Al  1.963470406488  5.878997247620  0.135349450937  -0.125907695606  -0.187810480143  -0.514158245394  -0.000120548570  0.000951143721  0.004102837429
  12  Al  7.748097229976  3.932837939636  3.811211043289  0.536566080102  -0.361074992141  0.303687041229  0.000469823808  0.000584075669  -0.001718980976
  13  Al  0.008407236443  5.800975622904  5.748878925517  -0.063026224754  0.025844753286  0.524448132416  0.000089889987  -0.001355768593  -0.001804131174
  14  Al  1.918958505735  3.838388502605  5.874625122595  0.062181601002  0.152324107806  -0.344766444631  -0.001234874073  -0.002184801926  0.000016792272
  15  Al  2.034156801445  5.848968581584  3.781931515348  -0.582410054154  -0.229031419211  0.686223926727  0.001033239736  -0.000535300577  -0.002590594745
  16  Al  4.023008187305  0.135939032205  0.010780297810  -0.333556664565  -0.547755539692  0.146651179124  0.003796904053  0.003589894778  0.001307457156
  17  Al  3.764128965214  1.834999206653  1.927977065331  0.661933281264  0.413821091951  0.138608890175  -0.002292836081  -0.002784574869  -0.000462752876
  18  Al  5.923735237378  7.675410700433  1.822112305940  -0.378958687323  0.684253710211  0.699669370209  0.001234426526  -0.002580293506  -0.002508077360
  19  Al  5.869206319484  2.059164912633  7.630151477530  -0.166579892179  -0.765320917491  1.002800127521  -0.000055502920  0.001551827514  -0.003332959843
  20  Al  3.926064428339  0.125376561526  3.905151892460  -0.213487597755  -0.633848479215  0.066307708850  0.000373308557  0.002302094615  0.000320919398
  21  Al  3.927250636431  1.916013885179  5.882316324484  -0.135373476612  0.321350245715  -0.034319892708  0.001034524874  -0.000074874579  0.001849064044
  22  Al  5.843324392250  0.029508861749  5.864606085307  -0.113130956187  -0.022456617793  -0.001149994159  -0.000126321815  0.001763438673  0.001094864959
  23  Al  5.935286830212  1.967459750628  3.874839912448  -0.338512677322  -0.051128614791  0.092676985576  0.002041663845  0.000554269596  0.000283430039
  24  Al  3.928820320370  3.873102122171  0.126876994206  -0.067688589219  0.011600035163  -0.828488989832  0.001434481947  -0.001007353830  0.001937568228
  25  Al  3.855667339207  5.967194295590  2.060606227723  0.479988630160  -0.325728332996  -0.600376911765  -0.000046328601  0.003370671286  0.002282191123
  26  Al  5.773673701074  3.996050536584  1.865937066920  0.393378404466  -0.494069803281  0.531022573817  -0.001573282656  0.002680837199  -0.001387712094
  27  Al  5.787661183485  5.889640058256  0.103257969670  0.019268435284  -0.384908457808  -0.981888873151  -0.001837033403  0.000465530371  0.001077002135
  28  Al  3.920569513735  3.950788307774  3.978823164676  -0.103371435115  -0.137976691118  -0.312796571477  0.000632370422  0.001706345576  0.001646094601
  29  Al  3.804514486181  5.875652110140  6.004809678158  0.569443997561  -0.122137153481  -0.467053286955  -0.000948149377  0.000762577075  0.004195802997
  30  Al  5.870316376816  3.785861159962  5.863197782132  -0.227392515262  0.906509252889  -0.394250786777  0.000428379491  -0.001586815168  -0.000100462029
  31  Al  5.940515531515  5.799661193915  3.870734886384  -0.570058420901  0.293547125413  0.036913481141  0.001813680585  -0.000583019399  -0.001296523130


MDSTEP:  60
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.782428188388  0.000000000000  0.000000000000
  0.000000000000  7.782428188388  0.000000000000
  0.000000000000  0.000000000000  7.782428188388
VIRIAL (kbar)
  36.582160104801  -0.165833767761  0.963742326353
  -0.165833767761  35.521755242173  -1.881005799071
  0.963742326353  -1.881005799071  45.600474985379
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.676173835157  7.746116233620  7.710382819541  0.580641086424  0.004508475225  -0.024863432838  -0.001785763684  -0.001178732624  -0.003065438805
  1  Al  7.739247381625  1.871038607261  1.831725317104  0.269285719987  0.369478792379  0.249646260468  -0.000344129448  -0.001454100839  -0.003415541699
  2  Al  1.877257131580  7.675608781267  1.896510474999  0.035517909648  0.843883504207  0.374547576435  -0.002125939503  -0.001732553205  -0.000460119676
  3  Al  1.869512646827  1.905087636721  7.742838741398  0.116230491176  -0.049392269007  0.042796212873  -0.002395963663  -0.001647776824  -0.002035842115
  4  Al  0.034372260991  7.696879979936  4.043964170371  0.126124587215  0.401986287816  -0.995385348793  0.001975775922  -0.002013274156  0.002246712264
  5  Al  0.016096215321  1.938955057342  5.894221455292  -0.034818173501  -0.048020062173  -0.444797786439  0.000522048637  -0.000531040178  0.000705637522
  6  Al  1.908552473010  7.782356029319  5.818574607747  0.226532602741  0.044375898801  0.276913555854  -0.001069926972  0.000864943398  0.000203453896
  7  Al  1.931241726774  1.961880885915  3.964504515596  -0.115457946915  -0.159433135035  -0.309571373096  -0.000937717210  -0.000079247078  0.002075348236
  8  Al  7.733348538026  3.988333251564  7.642502605984  0.116437081095  -0.361100354872  0.722026097248  -0.001437888745  0.002147489022  -0.002809676143
  9  Al  0.035790846600  5.819601381149  1.942795521419  -0.166215481628  -0.052190643958  0.028437772320  0.000920866777  -0.000775004524  0.000320139316
  10  Al  2.003441534719  3.796147658269  1.945653559858  -0.449392345508  0.491365068181  0.342242421572  0.000648971654  -0.000936587550  0.001363550643
  11  Al  1.961775850242  5.874588038492  0.137265977189  -0.119100520023  -0.197432637664  -0.539120205449  -0.000142606741  0.000917800956  0.004013442159
  12  Al  7.741929317573  3.929851710479  3.807203678208  0.538068663972  -0.373505990993  0.305600779624  0.000566504277  0.000519052471  -0.001666499502
  13  Al  0.008442399435  5.795487024339  5.743231598434  -0.065910585696  0.025170087582  0.537083495961  0.000078461991  -0.001352798822  -0.001711295677
  14  Al  1.916752017297  3.834118881341  5.869745271762  0.073637581294  0.166757750558  -0.348661591358  -0.001224176282  -0.002158827494  -0.000045216513
  15  Al  2.032960208124  5.843839089886  3.777529647899  -0.585967592537  -0.233895404564  0.710288464880  0.000929940521  -0.000577339514  -0.002468718981
  16  Al  4.021555081719  0.137597053239  0.011431748309  -0.345142353972  -0.566385536456  0.140804346658  0.003740656059  0.003494452298  0.001334707449
  17  Al  3.759889683862  1.832103089455  1.926152637453  0.671871513044  0.427680988428  0.143793714372  -0.002176219642  -0.002712573896  -0.000438035332
  18  Al  5.919422044106  7.667784359972  1.819377922398  -0.379205905862  0.708157213662  0.715209814937  0.001168058169  -0.002458772518  -0.002384461656
  19  Al  5.864302771221  2.058198741152  7.622200514113  -0.162599991089  -0.775375640930  1.034532118538  -0.000085013958  0.001415833191  -0.003154634060
  20  Al  3.922985010489  0.126395487359  3.902076123517  -0.214014177903  -0.642504177756  0.072449297822  0.000335506467  0.002190628268  0.000333708707
  21  Al  3.924504389351  1.914401517705  5.878360257035  -0.141908030414  0.328598256052  -0.043431822085  0.001010937500  -0.000016823396  0.001844282440
  22  Al  5.838409285029  0.030365251078  5.860289026318  -0.120270251454  -0.035577420180  -0.006550572947  -0.000147348501  0.001760320208  0.001095463064
  23  Al  5.931369549786  1.966102693096  3.871771716815  -0.343984511298  -0.049661157734  0.083580842992  0.001983012938  0.000545905254  0.000299529806
  24  Al  3.926275808114  3.869386243514  0.127703684479  -0.076185568622  0.015581128855  -0.842764386851  0.001423298247  -0.001006106493  0.001790348747
  25  Al  3.852467444814  5.963915736906  2.060011474597  0.492129879098  -0.333181756311  -0.615212042123  0.000040574886  0.003315692445  0.002176136815
  26  Al  5.768115394971  3.994054491263  1.863719074643  0.404718285617  -0.514190785990  0.542529126555  -0.001503740594  0.002593797407  -0.001293311906
  27  Al  5.781942661659  5.884970366616  0.103667040876  0.018407548507  -0.392915341661  -1.006151328759  -0.001835822513  0.000396499676  0.000900433906
  28  Al  3.917629126876  3.948358388081  3.976332049059  -0.104199466536  -0.144679960776  -0.313843200858  0.000614546096  0.001683067061  0.001591975288
  29  Al  3.800910031476  5.871154310688  6.001906240099  0.573858506215  -0.125084360698  -0.474246494588  -0.000846993166  0.000741358972  0.004116533717
  30  Al  5.865651173032  3.781967850847  5.858266561820  -0.235052167716  0.930294076143  -0.405047347323  0.000387516420  -0.001424374629  -0.000172078930
  31  Al  5.936469557257  5.794572087280  3.866877493040  -0.584036385358  0.296689108872  0.047165034398  0.001712576351  -0.000530906887  -0.001290526109


MDSTEP:  61
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.776100318592  0.000000000000  0.000000000000
  0.000000000000  7.776100318592  0.000000000000
  0.000000000000  0.000000000000  7.776100318592
VIRIAL (kbar)
  39.658144022581  -0.157172965558  1.023272788074
  -0.157172965558  38.569396868545  -1.856710426059
  1.023272788074  -1.856710426059  48.823251849743
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.669065262957  7.739228618780  7.702579425384  0.590000700820  0.001770108492  -0.016093404104  -0.001683147290  -0.001179557066  -0.003072707133
  1  Al  7.732794558625  1.868806599701  1.828539025085  0.268966131638  0.375756342883  0.260533713895  -0.000296386393  -0.001389147928  -0.003373921410
  2  Al  1.874669166533  7.668539040561  1.894755062214  0.033779699877  0.867918294513  0.382169884177  -0.002122240588  -0.001581466382  -0.000392970823
  3  Al  1.866799548947  1.902712372924  7.735526870899  0.122017105393  -0.049439559782  0.056534819862  -0.002377469352  -0.001658555155  -0.002029350704
  4  Al  0.035338012937  7.689632813507  4.041755116434  0.121065845817  0.413028693196  -1.013374266667  0.002000210926  -0.001942736829  0.002069666563
  5  Al  0.016342642773  1.937110785462  5.889761888510  -0.039156315939  -0.046533619863  -0.456885956156  0.000516045347  -0.000540122647  0.000625809847
  6  Al  1.906475697250  0.000366033580  5.813957659633  0.237898779020  0.032128183273  0.280644620573  -0.001029640774  0.000872803932  0.000253567846
  7  Al  1.929197338504  1.960238931929  3.962305015921  -0.116632109062  -0.161360554217  -0.322747141818  -0.000959580798  -0.000108035909  0.002021226471
  8  Al  7.726346704480  3.986148151261  7.634915681335  0.120786287842  -0.366631568352  0.738301518408  -0.001418359450  0.002084917165  -0.002682350785
  9  Al  0.036214834086  5.814479576674  1.941377208917  -0.172888724877  -0.050669576673  0.024983749362  0.000891616069  -0.000785116908  0.000325294431
  10  Al  2.002117006522  3.792614599064  1.944768743639  -0.457602695806  0.487955907476  0.343429362259  0.000568602239  -0.000850086641  0.001426488774
  11  Al  1.960104098287  5.870261588896  0.139137357630  -0.116675949711  -0.203345641806  -0.564176185911  -0.000163865115  0.000883029771  0.003919469478
  12  Al  7.735941721743  3.926899243267  3.803288307969  0.542144862208  -0.384471392434  0.308600001037  0.000663797717  0.000451860215  -0.001613517639
  13  Al  0.008471827969  5.790099334992  5.737729990403  -0.066025882465  0.028322984425  0.546690878983  0.000066752271  -0.001349604518  -0.001616362181
  14  Al  1.914584604500  3.829929214732  5.864934407893  0.080728403793  0.181813582459  -0.354970893446  -0.001211807443  -0.002130185653  -0.000108211033
  15  Al  2.031746085535  5.838788309133  3.773255306148  -0.594230238865  -0.234953590752  0.734693139148  0.000825462955  -0.000619957900  -0.002342365423
  16  Al  4.020140407741  0.139207404925  0.012096217516  -0.359394363165  -0.586209735306  0.133966473316  0.003682032468  0.003395459451  0.001360855740
  17  Al  3.755774244393  1.829275991836  1.924373856436  0.677925054065  0.437988632389  0.151293270801  -0.002058036628  -0.002638327717  -0.000412154291
  18  Al  5.915176169182  7.660351742286  1.816738104222  -0.374146598225  0.730508921346  0.732541565477  0.001102042784  -0.002332972195  -0.002257761258
  19  Al  5.859484743859  2.057198623908  7.614471550480  -0.154088461354  -0.788067273653  1.064060770748  -0.000113442349  0.001277644938  -0.002970620218
  20  Al  3.919953463496  0.127359517399  3.899073478046  -0.217577556750  -0.652090935341  0.079439358698  0.000297294235  0.002077400079  0.000347687864
  21  Al  3.921812604631  1.912851192431  5.874500944766  -0.151471075967  0.332316787353  -0.055071370855  0.000985882908  0.000042277009  0.001837639825
  22  Al  5.833583030099  0.031219288922  5.856071579026  -0.122524228825  -0.049706236851  -0.014584267113  -0.000169240227  0.001754761376  0.001094860667
  23  Al  5.927523084326  1.964774843168  3.868777116638  -0.344287565249  -0.051566699241  0.075593912233  0.001923777437  0.000537492148  0.000314120528
  24  Al  3.923791736853  3.865737609821  0.128457527382  -0.087614052180  0.020529287196  -0.857046581790  0.001410319698  -0.001004059425  0.001640402490
  25  Al  3.849377294856  5.960709749749  2.059397259515  0.500408331886  -0.337210500579  -0.627327702118  0.000129407150  0.003259623430  0.002067548043
  26  Al  5.762691435813  3.992081092803  1.861581159550  0.420215141816  -0.532444515517  0.555992015335  -0.001431716880  0.002503223812  -0.001196567774
  27  Al  5.776324128030  5.880366043506  0.103988090600  0.022239902884  -0.396977016823  -1.029724892446  -0.001834345263  0.000326308450  0.000719379479
  28  Al  3.914746386166  3.945983208727  3.973881011915  -0.108139662954  -0.150401463994  -0.313976107425  0.000596274577  0.001658650553  0.001537687587
  29  Al  3.797421591124  5.866745648915  5.999063552188  0.574419389778  -0.124631584928  -0.483790223656  -0.000745273365  0.000719893140  0.004035676034
  30  Al  5.861065119430  3.778221996069  5.853399069315  -0.237822409744  0.953524434674  -0.417814847717  0.000345672513  -0.001257538175  -0.000245887967
  31  Al  5.932472976668  5.789608293138  3.863090075198  -0.592317745699  0.303149306438  0.058114786910  0.001609362915  -0.000477874421  -0.001282626148


MDSTEP:  62
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.769912876497  0.000000000000  0.000000000000
  0.000000000000  7.769912876497  0.000000000000
  0.000000000000  0.000000000000  7.769912876497
VIRIAL (kbar)
  42.689522026023  -0.149428697827  1.084201144118
  -0.149428697827  41.577914735793  -1.826170264786
  1.084201144118  -1.826170264786  51.991470169113
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.662147619687  7.732480705580  7.694913123430  0.597280037093  0.000211158359  -0.006107394260  -0.001578921708  -0.001180766790  -0.003078306005
  1  Al  7.726505371869  1.866641675937  1.825408421239  0.266770496492  0.384492688413  0.268383894741  -0.000248812164  -0.001322775506  -0.003330575798
  2  Al  1.872117682787  7.661685083857  1.893067959680  0.035837488393  0.891832177534  0.386930436583  -0.002118508573  -0.001425912664  -0.000324635305
  3  Al  1.864130631381  1.900366742955  7.728359373761  0.131073339377  -0.046936020818  0.071285224275  -0.002357625386  -0.001669126317  -0.002020303103
  4  Al  0.036315596724  7.682561078122  4.039528840048  0.114182280448  0.424340492495  -1.030953394334  0.002023606245  -0.001870116777  0.001889230876
  5  Al  0.016585960361  1.935297235524  5.885367954702  -0.045373951914  -0.042300032470  -0.465693370302  0.000509090722  -0.000548704087  0.000544019099
  6  Al  1.904454427705  0.000803661582  5.809470841610  0.252633578118  0.020840753085  0.286704515562  -0.000986972338  0.000878568375  0.000304616527
  7  Al  1.927177184804  1.958617932084  3.960148591887  -0.113939810273  -0.160872705591  -0.336392761826  -0.000981334223  -0.000136987359  0.001964641679
  8  Al  7.719494935723  3.984002645722  7.627532141910  0.123379529483  -0.373637697403  0.755199609942  -0.001398186065  0.002021150076  -0.002551908057
  9  Al  0.036624184497  5.809458099975  1.939996249306  -0.180976739450  -0.051523156862  0.018805818670  0.000861010470  -0.000795181415  0.000329593986
  10  Al  2.000787830095  3.789193495919  1.943950014428  -0.461724085390  0.483522594455  0.341438523338  0.000487035172  -0.000764185474  0.001489428895
  11  Al  1.958457282489  5.866023134178  0.140961539433  -0.110739868228  -0.211418438717  -0.588242601438  -0.000184400597  0.000846966572  0.003820991892
  12  Al  7.730142418904  3.923983403541  3.799468910803  0.543874007716  -0.395962602024  0.310744879516  0.000761724816  0.000382580121  -0.001560013199
  13  Al  0.008495519165  5.784818490510  5.732380574025  -0.067670054379  0.029083218947  0.558242898823  0.000054871387  -0.001346056315  -0.001519424174
  14  Al  1.912458759640  3.825824571952  5.860197703877  0.090946818618  0.195943218801  -0.358352752550  -0.001197875620  -0.002098899266  -0.000172146516
  15  Al  2.030515682896  5.833821850799  3.769114352715  -0.598180795904  -0.238080892335  0.757197589966  0.000719769971  -0.000663000755  -0.002211666985
  16  Al  4.018766885169  0.140768492401  0.012773133749  -0.372990854828  -0.604466389002  0.127777673864  0.003620848551  0.003292943524  0.001385869413
  17  Al  3.751786855163  1.826520596339  1.922643276706  0.685282524251  0.450782476727  0.156245807139  -0.001938514838  -0.002561927551  -0.000385128918
  18  Al  5.911003871253  7.653122337219  1.814196165163  -0.372147228564  0.752805440690  0.746827703125  0.001036581099  -0.002203029886  -0.002128083410
  19  Al  5.854758735792  2.056165441030  7.606974672261  -0.148112065906  -0.797409636117  1.093590054332  -0.000140608187  0.001137323102  -0.002781106908
  20  Al  3.916973310186  0.128267935414  3.896148411738  -0.219676621799  -0.660320413722  0.085556165846  0.000258530529  0.001962444882  0.000362855868
  21  Al  3.919178284589  1.911365127960  5.870743136393  -0.159673795077  0.337972822679  -0.064329950000  0.000959209594  0.000102285484  0.001829119878
  22  Al  5.828851138206  0.032069771801  5.851958784791  -0.127883415666  -0.062763348833  -0.020534912146  -0.000191838695  0.001746764036  0.001093006549
  23  Al  5.923753240400  1.963477964377  3.865859198508  -0.347999004019  -0.051082051344  0.066916331885  0.001864113025  0.000528942006  0.000327237708
  24  Al  3.921370953412  3.862160436405  0.129137374191  -0.097906643112  0.024275163136  -0.869852975992  0.001395382785  -0.001001232174  0.001487856651
  25  Al  3.846401420668  5.957581863520  2.058764534856  0.509450270939  -0.343291199573  -0.641347469929  0.000219893209  0.003202583920  0.001956493552
  26  Al  5.757408846389  3.990132650094  1.859526346445  0.432250966298  -0.551470018838  0.566503152466  -0.001357145508  0.002409208813  -0.001097565261
  27  Al  5.770811556904  5.875832484065  0.104219094386  0.023428697465  -0.403116938421  -1.051481191861  -0.001832416983  0.000255122106  0.000534057242
  28  Al  3.911924784187  3.943666150761  3.971473954040  -0.110703506192  -0.157118483987  -0.314933673407  0.000577399727  0.001633092552  0.001483238383
  29  Al  3.794052942859  5.862431925325  5.996286697372  0.576126842664  -0.126233470388  -0.491060711211  -0.000643230984  0.000698299221  0.003953218890
  30  Al  5.856563712899  3.774629383654  5.848599884621  -0.243225387480  0.974908621077  -0.427311635988  0.000303048263  -0.001086514574  -0.000321775365
  31  Al  5.928530874958  5.784776065818  3.859377378365  -0.603593049173  0.306992670045  0.068244515171  0.001504278599  -0.000423857881  -0.001272831196


MDSTEP:  63
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.763873256745  0.000000000000  0.000000000000
  0.000000000000  7.763873256745  0.000000000000
  0.000000000000  0.000000000000  7.763873256745
VIRIAL (kbar)
  45.671122844994  -0.141651772155  1.148205136767
  -0.141651772155  44.528655189190  -1.792360702418
  1.148205136767  -1.792360702418  55.113052476612
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.655428838910  7.725879692412  7.687392073831  0.607408621965  -0.002875577293  0.003369951139  -0.001473015455  -0.001182392774  -0.003082168526
  1  Al  7.720386982567  1.864546381914  1.822335893115  0.267630308893  0.389886221564  0.279669164681  -0.000201301347  -0.001255060297  -0.003285465474
  2  Al  1.869604608939  7.655056343398  1.891451401197  0.033627407679  0.913461088805  0.394581355582  -0.002114784488  -0.001266101307  -0.000255109023
  3  Al  1.861508439432  1.898052747563  7.721344889397  0.136432298339  -0.046917697787  0.085097328866  -0.002336467172  -0.001679483291  -0.002008688647
  4  Al  0.037304471808  7.675673076365  4.037287615112  0.110067936135  0.434109856635  -1.047337837795  0.002046044035  -0.001795524449  0.001705543800
  5  Al  0.016825635831  1.933516616507  5.881044462510  -0.048764037092  -0.040921072112  -0.477606961058  0.000501268178  -0.000556793223  0.000460278330
  6  Al  1.902491784261  0.001243338453  5.805120238969  0.262727894784  0.008436931202  0.289339112171  -0.000942032119  0.000882219823  0.000356502772
  7  Al  1.925183319047  1.957019786338  3.958037817236  -0.115626920388  -0.163221202611  -0.349145470980  -0.001003022699  -0.000166139197  0.001905627773
  8  Al  7.712800788986  3.981899924663  7.620360735645  0.129408805234  -0.378879199670  0.770499959847  -0.001377216802  0.001956211204  -0.002418430196
  9  Al  0.037018219432  5.804542387627  1.938653943228  -0.185985091180  -0.049053182378  0.015853040447  0.000829196866  -0.000805112674  0.000333081632
  10  Al  1.999455535071  3.785887560598  1.943199082219  -0.469797850482  0.480103436667  0.341953033542  0.000404281035  -0.000678885271  0.001552310029
  11  Al  1.956837790396  5.861877543907  0.142736555496  -0.108971685172  -0.216468369049  -0.611746012471  -0.000204270945  0.000809686602  0.003718140967
  12  Al  7.724538951704  3.921106892747  3.795749276302  0.548276512548  -0.405658925908  0.313839331959  0.000860315054  0.000311323080  -0.001505976230
  13  Al  0.008513332949  5.779650040941  5.727189828017  -0.066447139639  0.033331443900  0.565998955488  0.000042938821  -0.001342055095  -0.001420644127
  14  Al  1.910377197504  3.821809825487  5.855540419913  0.096807941885  0.210768207883  -0.364513077126  -0.001182488334  -0.002064984758  -0.000237010622
  15  Al  2.029270573188  5.828944967770  3.765112370787  -0.606696491696  -0.238027273860  0.779638526417  0.000612837162  -0.000706368749  -0.002076793084
  16  Al  4.017437176598  0.142278857634  0.013461985102  -0.389277946117  -0.624258221546  0.120759634577  0.003556917331  0.003186901540  0.001409730258
  17  Al  3.747931731581  1.823839753201  1.920963168825  0.688421651589  0.460536359000  0.164062912086  -0.001817912405  -0.002483419053  -0.000356929268
  18  Al  5.906910961203  7.646105405801  1.811755094501  -0.364926796347  0.773123704034  0.763205273438  0.000971866548  -0.002069121485  -0.001995508876
  19  Al  5.850130845872  2.055100309066  7.599719743640  -0.137671578214  -0.808927649207  1.120821841130  -0.000166337351  0.000994969604  -0.002586291706
  20  Al  3.914048088292  0.129120141945  3.893305188609  -0.224838261023  -0.669623469040  0.092329891556  0.000219071609  0.001845785018  0.000379194564
  21  Al  3.916604438063  1.909945661658  5.867091622447  -0.171149189166  0.340563811978  -0.076578725760  0.000930744087  0.000163102152  0.001818664911
  22  Al  5.824218670066  0.032915592615  5.847955700086  -0.128325372330  -0.077112243492  -0.029650537268  -0.000214982535  0.001736304695  0.001089801871
  23  Al  5.920065346277  1.962213976574  3.863020874000  -0.346616699249  -0.053388452072  0.059218776665  0.001804168980  0.000520218527  0.000338905319
  24  Al  3.919016291774  3.858658716444  0.129742201850  -0.111601596692  0.029361043510  -0.882244830635  0.001378281719  -0.000997610965  0.001332876532
  25  Al  3.843544311499  5.954537251190  2.058114021370  0.514275814832  -0.346569632229  -0.652195007307  0.000311725979  0.003144638189  0.001843082873
  26  Al  5.752274171334  3.988211285606  1.857557343078  0.448084119621  -0.568241553348  0.579634835864  -0.001279992698  0.002311879691  -0.000996330788
  27  Al  5.765410514353  5.871374723102  0.104358182430  0.028995255442  -0.405631167191  -1.072243869618  -0.001829881027  0.000183077789  0.000344713407
  28  Al  3.909167821592  3.941410391354  3.969114586068  -0.116431666501  -0.162540273226  -0.315223657867  0.000557760595  0.001606417660  0.001428612661
  29  Al  3.790807857123  5.858218584533  5.993580787871  0.573938906097  -0.124967989398  -0.501024807292  -0.000541111228  0.000676649394  0.003869120708
  30  Al  5.852152041813  3.771195529220  5.843873705403  -0.243799411310  0.996027788764  -0.439398354371  0.000259839064  -0.000911487243  -0.000399682464
  31  Al  5.924647894115  5.780081256510  3.855743960200  -0.609175742445  0.313573257474  0.079036224094  0.001397561841  -0.000368845136  -0.001261152481


MDSTEP:  64
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.757988616628  0.000000000000  0.000000000000
  0.000000000000  7.757988616628  0.000000000000
  0.000000000000  0.000000000000  7.757988616628
VIRIAL (kbar)
  48.595537339028  -0.133486846074  1.212329480245
  -0.133486846074  47.432752185009  -1.752362191969
  1.212329480245  -1.752362191969  58.163198330269
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.648916876204  7.719432403384  7.680024152824  0.613378035422  -0.004321098124  0.013895089132  -0.001365543112  -0.001184424736  -0.003084242796
  1  Al  7.714446590057  1.862522908256  1.819324077254  0.264671790360  0.398415886447  0.287347038569  -0.000153922223  -0.001186018651  -0.003238602110
  2  Al  1.867131432480  7.648661816579  1.889907822863  0.036379808679  0.935305971485  0.398499813690  -0.002111005097  -0.001102211957  -0.000184465874
  3  Al  1.858935128989  1.895772105081  7.714491735680  0.146292834181  -0.043901343954  0.099734237065  -0.002313920016  -0.001689579053  -0.001994513430
  4  Al  0.038304346905  7.668976738463  4.035033695540  0.102150103682  0.444726537734  -1.063023203936  0.002067429540  -0.001719018873  0.001518770289
  5  Al  0.017061389425  1.931770822300  5.876795761104  -0.056026109956  -0.036346955651  -0.485607919619  0.000492483015  -0.000564358711  0.000374657268
  6  Al  1.900590414254  0.001683973478  5.800911455241  0.277281556129  -0.002685834324  0.295087254959  -0.000894833222  0.000883770053  0.000409199412
  7  Al  1.923217342495  1.955446080261  3.955975224809  -0.112281426688  -0.162463523924  -0.362139335407  -0.001024587160  -0.000195467392  0.001844239283
  8  Al  7.706271891954  3.979843214236  7.613409835851  0.131661507774  -0.386046653074  0.786353264983  -0.001355480492  0.001890083805  -0.002282006018
  9  Al  0.037396534610  5.799737994694  1.937351820728  -0.194239619481  -0.049631550183  0.009511407247  0.000796158551  -0.000814885470  0.000335741591
  10  Al  1.998121234723  3.782699981108  1.942517825045  -0.472513186204  0.475177905888  0.338584693951  0.000320464119  -0.000594230539  0.001615007972
  11  Al  1.955247576492  5.857829778460  0.144460485612  -0.102512012792  -0.224173091962  -0.634668226132  -0.000223428403  0.000771220984  0.003611012107
  12  Al  7.719138869357  3.918272451072  3.792133162639  0.548261761213  -0.416496639331  0.315999353391  0.000959412615  0.000238145168  -0.001451404038
  13  Al  0.008525385033  5.774599670067  5.722163717887  -0.068361066958  0.034568981934  0.576541193863  0.000030930375  -0.001337556927  -0.001320109600
  14  Al  1.908342184206  3.817889792074  5.850967386656  0.106957743143  0.224299291823  -0.366989661028  -0.001165649411  -0.002028491542  -0.000302723240
  15  Al  2.028011856945  5.824163017085  3.761254824585  -0.609408436066  -0.240598793506  0.800343976467  0.000504773705  -0.000750012110  -0.001937898842
  16  Al  4.016153583311  0.143736901363  0.014162187207  -0.402639657230  -0.641677447372  0.114182069046  0.003490254798  0.003077402741  0.001432401367
  17  Al  3.744212598558  1.821235984625  1.919336001245  0.695307354742  0.473263396833  0.168457450378  -0.001696269480  -0.002402804529  -0.000327603728
  18  Al  5.902903535697  7.639309800225  1.809418014724  -0.362517713168  0.793806046084  0.775779517904  0.000907936246  -0.001931385831  -0.001860186527
  19  Al  5.845607392587  2.054004084330  7.592716194067  -0.131614517063  -0.816473230761  1.147688690490  -0.000190620810  0.000850742470  -0.002386405468
  20  Al  3.911180941203  0.129915436437  3.890548013469  -0.226137714271  -0.676927418607  0.098316902662  0.000178988129  0.001727500473  0.000396693491
  21  Al  3.914093661616  1.908594800419  5.863550748307  -0.178816532371  0.345592030012  -0.085529553552  0.000900531720  0.000224671629  0.001806299237
  22  Al  5.819690946988  0.033755529104  5.844066920623  -0.133504558733  -0.089569634643  -0.035811475456  -0.000238656138  0.001723433207  0.001085225662
  23  Al  5.916465005141  1.960984490460  3.860265024655  -0.350269424791  -0.052854749937  0.051027888891  0.001743949361  0.000511325634  0.000349164996
  24  Al  3.916730162740  3.855236444005  0.130271017487  -0.121761626710  0.032680672933  -0.893376148233  0.001359025112  -0.000993232471  0.001175608640
  25  Al  3.840809965162  5.951581156263  2.057446659276  0.522058973235  -0.352307456189  -0.665475302249  0.000404794142  0.003085814271  0.001727378580
  26  Al  5.747294119878  3.986319200989  1.855677036554  0.459125524828  -0.586353905130  0.589005342378  -0.001200343812  0.002211313161  -0.000892963392
  27  Al  5.760126779580  5.866997938251  0.104403565303  0.030425689966  -0.410654215966  -1.091383573452  -0.001826714104  0.000110274408  0.000151577410
  28  Al  3.906478596652  3.939219103977  3.966806557205  -0.118448500445  -0.169414741246  -0.316060639833  0.000537404951  0.001578609671  0.001373820327
  29  Al  3.787689642266  5.854111148631  5.990950513952  0.575176552144  -0.126322814025  -0.507971655354  -0.000438955899  0.000654965369  0.003783406593
  30  Al  5.847835446416  3.767925813618  5.839224816264  -0.248654246268  1.014561500346  -0.447287725200  0.000216093187  -0.000732706238  -0.000479467523
  31  Al  5.920829002495  5.775529785589  3.852194318829  -0.619422886300  0.316822876389  0.088969234385  0.001289302114  -0.000312888015  -0.001247604737


MDSTEP:  65
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.752265863360  0.000000000000  0.000000000000
  0.000000000000  7.752265863360  0.000000000000
  0.000000000000  0.000000000000  7.752265863360
VIRIAL (kbar)
  51.459587262838  -0.124685316211  1.278951020562
  -0.124685316211  50.268735144507  -1.708246970279
  1.278951020562  -1.708246970279  61.151168239336
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.642619070400  7.713145559005  7.672817079504  0.621862179539  -0.007266973605  0.024550563378  -0.001256649506  -0.001186849932  -0.003084419731
  1  Al  7.708690804726  1.860573666680  1.816375226950  0.264373514477  0.404856924972  0.297432989751  -0.000106778580  -0.001115554870  -0.003190089374
  2  Al  1.864700022053  7.642510277493  1.888439268092  0.036426863084  0.954841195964  0.404589985486  -0.002106967348  -0.000934426957  -0.000112844242
  3  Al  1.856413196683  1.893526738593  7.707808054131  0.153710124406  -0.042336041617  0.114084274679  -0.002289797028  -0.001699274014  -0.001977725331
  4  Al  0.039314592210  7.662479823646  4.032769263774  0.096929534606  0.453655029081  -1.077980952708  0.002087661447  -0.001640672325  0.001329034031
  5  Al  0.017292594829  1.930061969412  5.872626357759  -0.060745584940  -0.033288040834  -0.495695427936  0.000482614954  -0.000571249347  0.000287317079
  6  Al  1.898753303102  0.002124591069  5.796850187365  0.288696454117  -0.015021672720  0.298022700164  -0.000845254524  0.000883222216  0.000462733964
  7  Al  1.921281242591  1.953898613029  3.953963198367  -0.111747873322  -0.163461407593  -0.374739480231  -0.001045828231  -0.000224851159  0.001780486269
  8  Al  7.699915285459  3.977835440270  7.606687621494  0.136719775143  -0.391615744145  0.801211983282  -0.001333062446  0.001822736372  -0.002142670735
  9  Al  0.037758434120  5.795050015599  1.936091046736  -0.199807589479  -0.048070507195  0.005519451202  0.000761843701  -0.000824580477  0.000337479753
  10  Al  1.996786454849  3.779633690343  1.941907714711  -0.477640356618  0.471190140717  0.336979639743  0.000235846803  -0.000510272806  0.001677331916
  11  Al  1.953688951006  5.853884371668  0.146131457294  -0.098969206214  -0.229880618470  -0.656720821673  -0.000241713227  0.000731509202  0.003499728473
  12  Al  7.713949081227  3.915482588287  3.788624122128  0.550588607915  -0.425452450785  0.318550603751  0.001058831673  0.000163110433  -0.001396343974
  13  Al  0.008531510119  5.769672605059  5.717308275313  -0.067554595223  0.037926565076  0.584080039176  0.000018808725  -0.001332640217  -0.001217837536
  14  Al  1.906356307147  3.814069048856  5.846483573197  0.114108826028  0.238766555190  -0.371502686818  -0.001147241197  -0.001989447634  -0.000369137688
  15  Al  2.026741085620  5.819480931261  3.757546904240  -0.614968826201  -0.240991535818  0.820458946734  0.000395842643  -0.000793970590  -0.001795186955
  16  Al  4.014918540329  0.145141231703  0.014873196644  -0.418748462234  -0.660284818264  0.107413708059  0.003420872059  0.002964547708  0.001453902877
  17  Al  3.740633396797  1.818712019733  1.917763875206  0.698221228254  0.484175259671  0.174907382705  -0.001573604425  -0.002319976884  -0.000297273178
  18  Al  5.898987070442  7.632744161223  1.807187652033  -0.356181400415  0.812232836639  0.789592472782  0.000844711718  -0.001789986979  -0.001722341931
  19  Al  5.841194113518  2.052877908770  7.585973179254  -0.122257599954  -0.824599519026  1.172757467708  -0.000213553634  0.000704942825  -0.002181635001
  20  Al  3.908375230510  0.130653291336  3.887880896532  -0.230597685582  -0.685329060386  0.104337080064  0.000138342130  0.001607669382  0.000415286357
  21  Al  3.911648765960  1.907314709562  5.860124966544  -0.189538406006  0.348698960410  -0.096707899572  0.000868637460  0.000287040674  0.001792115460
  22  Al  5.815272678159  0.034588528189  5.840297118735  -0.135097328420  -0.103321591890  -0.044342925698  -0.000262962885  0.001708199278  0.001079328020
  23  Al  5.912957179643  1.959791307742  3.857594363882  -0.350163403856  -0.053937495142  0.043139851648  0.001683338929  0.000502372345  0.000357997840
  24  Al  3.914515167502  3.851897330111  0.130722933375  -0.134915536850  0.037102444593  -0.903471920178  0.001337658178  -0.000988154706  0.001016255472
  25  Al  3.838202523288  5.948718412295  2.056763103396  0.525820817887  -0.356373090177  -0.676064262117  0.000499003550  0.003026039270  0.001609400513
  26  Al  5.742474788863  3.984458348717  1.853887920093  0.472643850199  -0.602307622342  0.599903334362  -0.001118402566  0.002107577688  -0.000787660176
  27  Al  5.754965574455  5.862706891748  0.104353589535  0.035219296707  -0.413449791126  -1.108780076899  -0.001822983678  0.000036686034  -0.000045053674
  28  Al  3.903860413428  3.937095206096  3.964553339945  -0.123614391793  -0.174953246502  -0.316795697826  0.000516382022  0.001549656068  0.001318820801
  29  Al  3.784701793056  5.850114716905  5.988400644210  0.572474041101  -0.125931782304  -0.517071952028  -0.000336811018  0.000633168601  0.003696150177
  30  Al  5.843618694712  3.764825269815  5.834657685756  -0.249841199544  1.032761916371  -0.456590222147  0.000171755176  -0.000550428317  -0.000560883241
  31  Al  5.917078558849  5.771127090806  3.848732750726  -0.625405666811  0.321665181254  0.098931851160  0.001179461428  -0.000256140883  -0.001232259323


MDSTEP:  66
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.746711646909  0.000000000000  0.000000000000
  0.000000000000  7.746711646909  0.000000000000
  0.000000000000  0.000000000000  7.746711646909
VIRIAL (kbar)
  54.252890606568  -0.116550616334  1.347547177607
  -0.116550616334  53.044171065774  -1.660495011317
  1.347547177607  -1.660495011317  64.061051833916
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.636542733477  7.707025488251  7.665778326982  0.625252597099  -0.008740238039  0.035102316778  -0.001146563418  -0.001189670694  -0.003082693156
  1  Al  7.703126220140  1.858700821464  1.813491748670  0.259818269978  0.412802906570  0.305907623894  -0.000060013638  -0.001043719186  -0.003139852612
  2  Al  1.862311940411  7.636610044581  1.887047913851  0.040156717656  0.973980686219  0.408691620629  -0.002102582447  -0.000762983869  -0.000040226795
  3  Al  1.853944857579  1.891318376563  7.701301703661  0.164724471952  -0.038763621693  0.127785437803  -0.002263992072  -0.001708517068  -0.001958404045
  4  Al  0.040334820387  7.656189686700  4.030496429053  0.087222561774  0.463156236477  -1.091164900491  0.002106577229  -0.001560581875  0.001136555314
  5  Al  0.017518852498  1.928391974160  5.868540375873  -0.069951126792  -0.028449772714  -0.503989442636  0.000471488669  -0.000577440399  0.000198229699
  6  Al  1.896983093534  0.002564107660  5.792941690635  0.303121369798  -0.025741394077  0.302231050283  -0.000793304499  0.000880609460  0.000516969245
  7  Al  1.919376689958  1.952378960954  3.952004025373  -0.107434573016  -0.162345512602  -0.386220429101  -0.001066658355  -0.000254258301  0.001714500618
  8  Al  7.693738004935  3.975879539373  7.600201932320  0.137608204783  -0.398724107046  0.815080013351  -0.001310083306  0.001754172074  -0.002000597931
  9  Al  0.038103460606  5.790483542561  1.934872932234  -0.209285690095  -0.048038638584  0.000254299703  0.000726141105  -0.000834142562  0.000338391155
  10  Al  1.995452437109  3.776691581255  1.941370319731  -0.478265705529  0.466118536740  0.333430970997  0.000150615283  -0.000427025998  0.001739264214
  11  Al  1.952163897969  5.850045841102  0.147747670872  -0.091532190302  -0.237000276182  -0.678386144014  -0.000259036779  0.000690601902  0.003384396246
  12  Al  7.708976454050  3.912739850187  3.785225616434  0.548105342791  -0.435115688846  0.321657233419  0.001158350898  0.000086321944  -0.001340710277
  13  Al  0.008531785487  5.764874069913  5.712629075616  -0.070829748053  0.039764736043  0.592252548676  0.000006452008  -0.001327250087  -0.001114037624
  14  Al  1.904421821944  3.810352129515  5.842093570157  0.124518358844  0.251495091422  -0.374332953901  -0.001127238104  -0.001947920961  -0.000436286002
  15  Al  2.025459485978  5.814903642322  3.753993625175  -0.616225189124  -0.243003292122  0.839508478499  0.000286173354  -0.000838193925  -0.001648800669
  16  Al  4.013734105145  0.146490345180  0.015594454412  -0.431102196002  -0.677029239885  0.100035163516  0.003348854600  0.002848391767  0.001474160953
  17  Al  3.737197589697  1.816270365223  1.916249012780  0.705137420080  0.496848920737  0.179618217840  -0.001449912953  -0.002234937416  -0.000265908104
  18  Al  5.895167195790  7.626416677307  1.805066785859  -0.353328814247  0.830359105953  0.800907478831  0.000782233262  -0.001645148876  -0.001582084390
  19  Al  5.836896846805  2.051722800689  7.579499446727  -0.116327333062  -0.830379235044  1.195581714570  -0.000235145392  0.000557726947  -0.001972335822
  20  Al  3.905633904466  0.131333074729  3.885307723155  -0.230599309703  -0.691862404777  0.110697782022  0.000097249123  0.001486358475  0.000435007592
  21  Al  3.909272158664  1.906107321576  5.856818337349  -0.195947410006  0.353185961781  -0.106270432425  0.000835171567  0.000350161445  0.001776055872
  22  Al  5.810968699329  0.035413420898  5.836650561794  -0.139864193285  -0.115144143566  -0.051504725516  -0.000287866414  0.001690656113  0.001072017338
  23  Al  5.909546972333  1.958636020873  3.855011504517  -0.353684622407  -0.053443689457  0.036419928519  0.001622348354  0.000493354797  0.000365533545
  24  Al  3.912373510158  3.848645055682  0.131097146280  -0.144162357631  0.040214831347  -0.913250682029  0.001314259527  -0.000982394906  0.000854935624
  25  Al  3.835725644051  5.945953806411  2.056064178928  0.532991523655  -0.361934255670  -0.687631316540  0.000594300165  0.002965326552  0.001489298863
  26  Al  5.737822307521  3.982630740824  1.852192564415  0.482348106521  -0.618686953869  0.608874107097  -0.001034285609  0.002000823882  -0.000680454607
  27  Al  5.749932228755  5.858506348244  0.104206747790  0.036945338826  -0.417086673972  -1.125021186074  -0.001818661733  -0.000037564014  -0.000244923934
  28  Al  3.901316164765  3.935041604629  3.962358284209  -0.124802575809  -0.181874400288  -0.317047835439  0.000494764964  0.001519550649  0.001263665683
  29  Al  3.781847328907  5.846234350658  5.985935557331  0.573866946880  -0.127142782837  -0.524603808222  -0.000234662904  0.000611271580  0.003607295757
  30  Al  5.839506687528  3.761898781233  5.830176459267  -0.254139660562  1.048129774982  -0.463571714022  0.000126874176  -0.000364932945  -0.000643849742
  31  Al  5.913401104727  5.766878562252  3.845363426723  -0.634334535013  0.324449532999  0.108959583983  0.001068155646  -0.000198644505  -0.001215105089


MDSTEP:  67
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.741332350389  0.000000000000  0.000000000000
  0.000000000000  7.741332350389  0.000000000000
  0.000000000000  0.000000000000  7.741332350389
VIRIAL (kbar)
  56.973782778557  -0.108690490864  1.416123093061
  -0.108690490864  55.740604478858  -1.606981774892
  1.416123093061  -1.606981774892  66.895675359232
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.630694461191  7.701078384840  7.658915092213  0.631829276838  -0.011586603934  0.046183062373  -0.001035454013  -0.001192877976  -0.003079021272
  1  Al  7.697758785148  1.856906608653  1.810675840847  0.258314202928  0.419094332874  0.316202544062  -0.000013735887  -0.000970523184  -0.003087869779
  2  Al  1.859969013370  7.630969142741  1.885735696591  0.039238425908  0.990954272786  0.414104538823  -0.002097935309  -0.000588107963  0.000033326738
  3  Al  1.851532583152  1.889148859761  7.694980218893  0.171211229282  -0.036430189630  0.141729503433  -0.002236585406  -0.001717238077  -0.001936582035
  4  Al  0.041364244130  7.650113470901  4.028217315436  0.080416668144  0.471226836078  -1.103876291409  0.002124032396  -0.001478821812  0.000941532185
  5  Al  0.017739361155  1.926762844862  5.864541894303  -0.076228698967  -0.024786609235  -0.513639948265  0.000458963130  -0.000582876680  0.000107432484
  6  Al  1.895282633183  0.003001584509  5.789191136852  0.312552486159  -0.037714869866  0.304390086289  -0.000739157668  0.000875961355  0.000571836119
  7  Al  1.917505625363  1.950888820941  3.950099956658  -0.107991000561  -0.162690779943  -0.397884204996  -0.001087173923  -0.000283630206  0.001646362923
  8  Al  7.687746447399  3.973978173209  7.593960260252  0.141904324890  -0.404427771200  0.828466262542  -0.001286610042  0.001684376890  -0.001855915771
  9  Al  0.038430805285  5.786043330497  1.933698607944  -0.215658374198  -0.046298105673  -0.003441566883  0.000688976957  -0.000843555054  0.000338501141
  10  Al  1.994120754454  3.773876321613  1.940906971537  -0.483434361002  0.461664970498  0.330938616804  0.000064765448  -0.000344532782  0.001800723887
  11  Al  1.950674681729  5.846318375877  0.149307355624  -0.089061113181  -0.242295563379  -0.699007998067  -0.000275493595  0.000648534402  0.003265137510
  12  Al  7.704227163105  3.910046582055  3.781941026790  0.548264280021  -0.443248492020  0.324526917825  0.001257775449  0.000007851577  -0.001284473378
  13  Al  0.008525922830  5.760208953057  5.708131556115  -0.070915479058  0.043366917440  0.598107797351  -0.000006219808  -0.001321363465  -0.001008858595
  14  Al  1.902541209633  3.806743280685  5.837801914800  0.129848768451  0.265220599464  -0.378398134142  -0.001105800655  -0.001903974189  -0.000504128454
  15  Al  2.024168596778  5.810435735025  3.750599781489  -0.622009536879  -0.243166533325  0.857598503123  0.000175745300  -0.000882661276  -0.001498916670
  16  Al  4.012602533613  0.147782898801  0.016325348313  -0.446310896758  -0.694720556798  0.092791057695  0.003274278513  0.002729012111  0.001493130755
  17  Al  3.733908871972  1.813913623277  1.914793415395  0.707691795611  0.507886329420  0.185839064630  -0.001325225865  -0.002147671583  -0.000233527800
  18  Al  5.891449026760  7.620335250566  1.803057913007  -0.344792453815  0.846567371648  0.812901483323  0.000720698446  -0.001497065793  -0.001439573643
  19  Al  5.832720922593  2.050539913541  7.573303287150  -0.105145755912  -0.836355913657  1.217223224691  -0.000255231079  0.000409285866  -0.001758809184
  20  Al  3.902960174184  0.131954314973  3.882832276567  -0.233852010778  -0.699291492838  0.116718635713  0.000055816715  0.001363652833  0.000455858271
  21  Al  3.906966497793  1.904974629011  5.853634864640  -0.205621696809  0.355794362307  -0.117402990593  0.000800225649  0.000413989762  0.001758121561
  22  Al  5.806783361162  0.036229210330  5.833131439191  -0.139420376817  -0.128217336519  -0.060461476337  -0.000313184990  0.001670860962  0.001063253418
  23  Al  5.906238957799  1.957520296030  3.852519031366  -0.351641072587  -0.054183922544  0.029273767792  0.001561149974  0.000484303347  0.000371836739
  24  Al  3.910307609626  3.845483051278  0.131392872633  -0.156703377188  0.044296315949  -0.921498509932  0.001288881059  -0.000975982247  0.000691812413
  25  Al  3.833383161846  5.943291788404  2.055350550473  0.535647148439  -0.365910554906  -0.696991919033  0.000690585573  0.002903681807  0.001367180833
  26  Al  5.733342268245  3.980838212511  1.850593306910  0.496400240324  -0.633354698422  0.618799576097  -0.000947942514  0.001891162733  -0.000571431603
  27  Al  5.745031598269  5.854400793052  0.103961625739  0.043849309248  -0.418634360146  -1.139222355614  -0.001813557914  -0.000112364524  -0.000447750289
  28  Al  3.898848964496  3.933060947842  3.960224646312  -0.129188148971  -0.187558249939  -0.317606835089  0.000472622735  0.001488278444  0.001208370161
  29  Al  3.779129507785  5.842474766581  5.983559566943  0.570887481844  -0.126688267900  -0.533671724397  -0.000132536678  0.000589279662  0.003516842966
  30  Al  5.835503845097  3.759150854110  5.825785285453  -0.252823645705  1.063053930990  -0.471438105334  0.000081673589  -0.000176510094  -0.000728239676
  31  Al  5.909800712214  5.762789208988  3.842090390598  -0.637257638901  0.328434632421  0.118747417528  0.000955656724  -0.000140474848  -0.001196155023


MDSTEP:  68
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.736134082176  0.000000000000  0.000000000000
  0.000000000000  7.736134082176  0.000000000000
  0.000000000000  0.000000000000  7.736134082176
VIRIAL (kbar)
  59.616162040750  -0.099819729877  1.486578505293
  -0.099819729877  58.361523114942  -1.549204813977
  1.486578505293  -1.549204813977  69.639394912053
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.625080865811  7.695310045042  7.652234345046  0.636843325504  -0.013120946557  0.057491572948  -0.000923174970  -0.001196477090  -0.003073332623
  1  Al  7.692594449438  1.855193051957  1.807929799184  0.255873882512  0.425756341520  0.324329825456  0.000032243037  -0.000896080062  -0.003034168679
  2  Al  1.857672583268  7.625595137758  1.884504605486  0.042849760737  1.006863577735  0.417684369729  -0.002093035226  -0.000410084863  0.000107770346
  3  Al  1.849178373304  1.887019849262  7.688850882302  0.181599843542  -0.033520632071  0.155345048983  -0.002207630187  -0.001725494835  -0.001912263211
  4  Al  0.042402336368  7.644257921418  4.025933940877  0.072972576417  0.479300335059  -1.115143786869  0.002140226520  -0.001395517626  0.000744133731
  5  Al  0.017953580438  1.925176415816  5.860634659550  -0.083508527378  -0.020590935423  -0.520808799300  0.000445208804  -0.000587614472  0.000015024540
  6  Al  1.893654257306  0.003435970987  5.785603311493  0.325334079655  -0.048214532270  0.307650130854  -0.000682958404  0.000869294805  0.000627249906
  7  Al  1.915669484532  1.949429688881  3.948253085696  -0.104131199551  -0.162645014183  -0.408828986091  -0.001107414485  -0.000313062253  0.001576118204
  8  Al  7.681947041177  3.972133987351  7.587969787616  0.144964724471  -0.411328489026  0.841299475719  -0.001262447289  0.001613367518  -0.001708713673
  9  Al  0.038739934910  5.781734080630  1.932569276425  -0.222149841026  -0.044934092827  -0.008564181438  0.000650616580  -0.000852698149  0.000337821358
  10  Al  1.992792500281  3.771190502436  1.940519030651  -0.483905634840  0.456742553806  0.326321167509  -0.000021689196  -0.000262780984  0.001861613549
  11  Al  1.949223052872  5.842706119879  0.150808827726  -0.082654765971  -0.247601103596  -0.718188926138  -0.000291174630  0.000605467541  0.003142168977
  12  Al  7.699707350663  3.907405124540  3.778773579528  0.546795320167  -0.451349527050  0.327346276885  0.001357194773  -0.000072162455  -0.001227657953
  13  Al  0.008513918220  5.755682095134  5.703820746784  -0.071840680673  0.046719619997  0.604702707800  -0.000018996809  -0.001314843679  -0.000902440051
  14  Al  1.900716429485  3.803246702931  5.833612824137  0.138683817321  0.277270322867  -0.380522254072  -0.001083067593  -0.001857664522  -0.000572602061
  15  Al  2.022869476875  5.806081750909  3.747369952082  -0.623130432226  -0.243213694236  0.873545044578  0.000064570245  -0.000927196507  -0.001345808542
  16  Al  4.011525684488  0.149017458191  0.017065279380  -0.461213701873  -0.710739019623  0.085736786164  0.003196911600  0.002606469238  0.001510838945
  17  Al  3.730770418452  1.811644186319  1.913399152458  0.710961274053  0.519066859391  0.190158355489  -0.001199868247  -0.002058309780  -0.000200166169
  18  Al  5.887837976512  7.614507344760  1.801163530260  -0.340283724731  0.862155093365  0.822270582657  0.000660256503  -0.001345961111  -0.001294981214
  19  Al  5.828671932958  2.049330306145  7.567392622149  -0.097675629206  -0.840695871876  1.237016521749  -0.000273670956  0.000259747565  -0.001541321603
  20  Al  3.900356820370  0.132516453096  3.880458173134  -0.236399403850  -0.705535601060  0.122197006491  0.000013816993  0.001239576715  0.000477760445
  21  Al  3.904734010292  1.903918391333  5.850578205075  -0.214288465081  0.358494002766  -0.126721807186  0.000763595817  0.000478366009  0.001738331374
  22  Al  5.802721272919  0.037034787107  5.829743573337  -0.142515063702  -0.139737915602  -0.067937210124  -0.000338769223  0.001648837499  0.001053006007
  23  Al  5.903037998222  1.956445619807  3.850119354700  -0.353748084525  -0.054489189962  0.022815798625  0.001499869625  0.000475146292  0.000376929197
  24  Al  3.908319451668  3.842414696961  0.131609456535  -0.168122214898  0.047196498494  -0.928825263353  0.001261325679  -0.000968934505  0.000527103639
  25  Al  3.831178375149  5.940736739734  2.054623004268  0.537986064394  -0.369971054541  -0.707070948612  0.000787427838  0.002841237103  0.001243177184
  26  Al  5.729040450731  3.979082608747  1.849092507692  0.505952845255  -0.647906603518  0.626303849847  -0.000859384266  0.001778753998  -0.000460720553
  27  Al  5.740268796288  5.850394688032  0.103616980621  0.047235443239  -0.420270540853  -1.151667806375  -0.001807521945  -0.000187536700  -0.000653195312
  28  Al  3.896461501952  3.931155855350  3.958155514138  -0.132788414251  -0.193915442807  -0.318283317192  0.000449738848  0.001455887982  0.001152895829
  29  Al  3.776551065543  5.838840622834  5.981276637520  0.568777413835  -0.126566485282  -0.541326351953  -0.000030746219  0.000567311790  0.003424777734
  30  Al  5.831614881154  3.756585827655  5.821488023552  -0.254920157857  1.075272848056  -0.476378983194  0.000036350222  0.000014561011  -0.000813871339
  31  Al  5.906281777936  5.758863944633  3.838917528069  -0.643554429465  0.331508639309  0.128054100412  0.000842198872  -0.000081605472  -0.001175471047


MDSTEP:  69
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.731122667557  0.000000000000  0.000000000000
  0.000000000000  7.731122667557  0.000000000000
  0.000000000000  0.000000000000  7.731122667557
VIRIAL (kbar)
  62.173528722950  -0.091947839495  1.556382199372
  -0.091947839495  60.894713410999  -1.486675973435
  1.556382199372  -1.486675973435  72.295234344232
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.619708143676  7.689726099476  7.645742793345  0.641710957534  -0.015634052241  0.069128029440  -0.000809878096  -0.001200438077  -0.003065573699
  1  Al  7.687638798865  1.853562142022  1.805255658544  0.253740989869  0.431849874333  0.334380156671  0.000077866220  -0.000820406125  -0.002978768075
  2  Al  1.855424327603  7.620495226970  1.883356399445  0.045067508234  1.020458794717  0.422677106843  -0.002087600398  -0.000229214075  0.000183066938
  3  Al  1.846884508197  1.884932986787  7.682920665099  0.190906743168  -0.030313839992  0.168814566876  -0.002176871466  -0.001733207788  -0.001885486346
  4  Al  0.043448513694  7.638629505500  4.023648299259  0.065675371599  0.485918158791  -1.125655277823  0.002155113042  -0.001310797344  0.000544554905
  5  Al  0.018160879461  1.923634497923  5.856822422347  -0.090633961730  -0.016309476661  -0.529508400551  0.000430148294  -0.000591597339  -0.000078910349
  6  Al  1.892100532917  0.003866348278  5.782182889170  0.336383711057  -0.059588548499  0.308631706442  -0.000624559576  0.000860660706  0.000683105252
  7  Al  1.913870026277  1.948003023077  3.946465424662  -0.101650283974  -0.162498989317  -0.419449301936  -0.001127107356  -0.000342510222  0.001503857046
  8  Al  7.676345822696  3.970349374119  7.582237373041  0.148579965472  -0.417267561453  0.853184117615  -0.001237654697  0.001541121172  -0.001559123160
  9  Al  0.039030303383  5.777560247913  1.931485942094  -0.228211331297  -0.042947628453  -0.011740602744  0.000611086353  -0.000861549061  0.000336397194
  10  Al  1.991469112215  3.768636536906  1.940207600127  -0.485009092953  0.452414079599  0.322860300729  -0.000108385136  -0.000181760687  0.001921844601
  11  Al  1.947811041888  5.839213001315  0.152250525091  -0.077430487372  -0.252552954647  -0.736369844679  -0.000305832459  0.000561430865  0.003015703958
  12  Al  7.695422736042  3.904817675291  3.775726358881  0.545282570701  -0.458003668519  0.330418734568  0.001456458018  -0.000153589121  -0.001170244967
  13  Al  0.008495691938  5.751298102946  5.699701537661  -0.072306295935  0.050544893940  0.608576560830  -0.000031913006  -0.001307669440  -0.000794958049
  14  Al  1.898949684475  3.799866307989  5.829530472454  0.146050015667  0.289992626723  -0.384082813562  -0.001058854929  -0.001809078352  -0.000641661692
  15  Al  2.021563524519  5.801846027163  3.744308391202  -0.625290302963  -0.242853786530  0.888679910241  -0.000047027769  -0.000971752161  -0.001189737228
  16  Al  4.010505297170  0.150192731138  0.017813666703  -0.476570091533  -0.727314169540  0.078464587402  0.003116736361  0.002480858851  0.001527280693
  17  Al  3.727785334195  1.809464394495  1.912068054412  0.712783922592  0.530218354425  0.195976068675  -0.001073905016  -0.001966838950  -0.000165858253
  18  Al  5.884338881727  7.608940093524  1.799385837454  -0.333377893581  0.875516585926  0.832214569704  0.000600762932  -0.001192086299  -0.001148488377
  19  Al  5.824754924432  2.048095104092  7.561774937248  -0.088454782869  -0.843951027858  1.254821752605  -0.000290638243  0.000109355069  -0.001320212309
  20  Al  3.897826542665  0.133019028317  3.878188840093  -0.239494309862  -0.712211262159  0.127717065533  -0.000028736321  0.001114196135  0.000500670166
  21  Al  3.902576869531  1.902940309039  5.847651964017  -0.223516934418  0.360783937528  -0.137649223399  0.000725319863  0.000543261680  0.001716700790
  22  Al  5.798786514012  0.037829179711  5.826490706079  -0.143596518654  -0.151997855289  -0.077266918202  -0.000364755527  0.001624655220  0.001041239575
  23  Al  5.899948368270  1.955413446248  3.847814805670  -0.353724667341  -0.054893547841  0.016573109143  0.001438326183  0.000465913381  0.000380890111
  24  Al  3.906410979234  3.839443126007  0.131746314742  -0.180380756613  0.050924677206  -0.934849189001  0.001231615691  -0.000961282122  0.000361007214
  25  Al  3.829114417763  5.938292817592  2.053882184127  0.538570985923  -0.374021457022  -0.714970128645  0.000884641365  0.002777983912  0.001117416659
  26  Al  5.724922025152  3.977365636913  1.847692246070  0.516361463916  -0.660774275180  0.634751113585  -0.000768934366  0.001663755372  -0.000348452222
  27  Al  5.735648410212  5.846492270492  0.103171715360  0.052523503372  -0.420994573446  -1.162045102750  -0.001800696453  -0.000263006713  -0.000860918333
  28  Al  3.894156393650  3.929328742883  3.956153819606  -0.137220070677  -0.199420314431  -0.318953275500  0.000426108250  0.001422393477  0.001097232359
  29  Al  3.774114680559  5.835336334053  5.979090641136  0.565177355292  -0.126315073356  -0.550501217706  0.000070651917  0.000545349692  0.003331087561
  30  Al  5.827843989585  3.754207668201  5.817288577645  -0.254881313652  1.086679544407  -0.482120755446  -0.000009210032  0.000207967548  -0.000900555170
  31  Al  5.902848177924  5.755107392491  3.835848541248  -0.647065968973  0.334562534839  0.137292595039  0.000727728673  -0.000022119206  -0.001153099847


MDSTEP:  70
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.726303642904  0.000000000000  0.000000000000
  0.000000000000  7.726303642904  0.000000000000
  0.000000000000  0.000000000000  7.726303642904
VIRIAL (kbar)
  64.641223047098  -0.083434756511  1.628183552268
  -0.083434756511  63.343539643002  -1.420466066688
  1.628183552268  -1.420466066688  74.847699158004
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.614582196328  7.684331802589  7.639446886504  0.642921619349  -0.016390673347  0.080765594661  -0.000695902891  -0.001204691184  -0.003055711255
  1  Al  7.682897160889  1.852015751305  1.802655557663  0.248400093867  0.438413112192  0.342645091830  0.000122873406  -0.000743508955  -0.002921652671
  2  Al  1.853225728341  7.615676122165  1.882292896030  0.049324530733  1.034570498868  0.425389360993  -0.002081571489  -0.000045654346  0.000259139245
  3  Al  1.844653101673  1.882889868498  7.677196238024  0.201882936553  -0.026602722420  0.181935028217  -0.002144253782  -0.001740303715  -0.001856292174
  4  Al  0.044502206331  7.633234276583  4.021362295434  0.055104789785  0.493838201048  -1.134362014774  0.002168409632  -0.001224673059  0.000343023484
  5  Al  0.018360640074  1.922138837382  5.853108574346  -0.101098684473  -0.011385794996  -0.536160460814  0.000413495098  -0.000594758971  -0.000174326981
  6  Al  1.890623803259  0.004291719304  5.778934127189  0.348883026219  -0.069194934168  0.310977772002  -0.000563984023  0.000850136330  0.000739320162
  7  Al  1.912108813102  1.946610216759  3.944738865895  -0.097152218440  -0.161908467237  -0.429258818401  -0.001146194121  -0.000371925016  0.001429678482
  8  Al  7.670948590914  3.968626662286  7.576769510817  0.149069738681  -0.424921179626  0.864222273507  -0.001212461076  0.001467568876  -0.001407302412
  9  Al  0.039301400636  5.773526126045  1.930449711265  -0.237309621206  -0.041416815798  -0.016638223262  0.000570151742  -0.000870092052  0.000334247759
  10  Al  1.990151894078  3.766216752656  1.939973817383  -0.483707253975  0.445878343533  0.317187953682  -0.000195163341  -0.000101617577  0.001981320543
  11  Al  1.946440500299  5.835842760710  0.153630967320  -0.070586186623  -0.257218376074  -0.754477118161  -0.000319426462  0.000516480571  0.002885833942
  12  Al  7.691378751456  3.902286412370  3.772802331479  0.539728291003  -0.465984293398  0.333733210872  0.001555198123  -0.000236418601  -0.001112189311
  13  Al  0.008471204569  5.747061409799  5.695778365403  -0.075534999030  0.053966899687  0.613511371567  -0.000045174500  -0.001299833218  -0.000686560281
  14  Al  1.897242975437  3.796605926125  5.825558684892  0.154521270601  0.300671561616  -0.385620736808  -0.001033193165  -0.001758335156  -0.000711254764
  15  Al  2.020251965899  5.797732718268  3.741419145093  -0.624622456510  -0.242464393283  0.903003617834  -0.000158888364  -0.001016288410  -0.001030845060
  16  Al  4.009542920309  0.151307367662  0.018569910830  -0.489124285532  -0.741357732472  0.070748667677  0.003033958733  0.002352353806  0.001542394491
  17  Al  3.724956458705  1.807376519291  1.910802015341  0.717319340663  0.541542605473  0.199977038971  -0.000947222664  -0.001873243538  -0.000130631607
  18  Al  5.880956572398  7.603640151497  1.797727022553  -0.328238278335  0.889371553935  0.839444335043  0.000542275427  -0.001035593727  -0.001000284846
  19  Al  5.820974881938  2.046835448619  7.556457264206  -0.080884005794  -0.845906326402  1.270671960361  -0.000306121961  -0.000041678223  -0.001095830848
  20  Al  3.895371844613  0.133461533094  3.876027564886  -0.239317125986  -0.716607759485  0.133413290403  -0.000071599817  0.000987675261  0.000524607678
  21  Al  3.900497051902  1.902041977530  5.844859384948  -0.229391506963  0.362786392206  -0.146835854863  0.000685645581  0.000608614268  0.001693238837
  22  Al  5.794983125896  0.038611349330  5.823376196008  -0.146317120116  -0.161924332941  -0.085095249565  -0.000391110536  0.001598453620  0.001027920408
  23  Al  5.896974311916  1.954425147581  3.845607591087  -0.355508071279  -0.054911853328  0.010940085128  0.001376548066  0.000456630043  0.000383791746
  24  Al  3.904583913910  3.836571401739  0.131802970375  -0.189495671530  0.052477669099  -0.940166515183  0.001199954317  -0.000953144501  0.000193702352
  25  Al  3.827194127518  5.935963958523  2.053128848662  0.541475196801  -0.377831781593  -0.723520270729  0.000982275995  0.002713942822  0.000990034394
  26  Al  5.720992026834  3.975689003641  1.846394620162  0.524918678326  -0.674723165303  0.640990837432  -0.000676679973  0.001546217860  -0.000234738597
  27  Al  5.731174981885  5.842697638134  0.102624906109  0.056785224604  -0.421273174071  -1.171021902278  -0.001793001387  -0.000338652778  -0.001070609746
  28  Al  3.891936035733  3.927581955518  3.954222346592  -0.138421100034  -0.206692898048  -0.319307878960  0.000401944663  0.001387711338  0.001041408217
  29  Al  3.771822760105  5.831966108205  5.977005090243  0.564070226809  -0.125905841139  -0.558229288247  0.000171746191  0.000523418993  0.003235763104
  30  Al  5.824195335900  3.752020135951  5.813190559043  -0.255838662061  1.094443422525  -0.485338171481  -0.000054905201  0.000403312164  -0.000988137141
  31  Al  5.899503813465  5.751523960985  3.832886982853  -0.651857716106  0.336662254948  0.146475013348  0.000612380095  0.000037897076  -0.001129050198


MDSTEP:  71
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.721682249155  0.000000000000  0.000000000000
  0.000000000000  7.721682249155  0.000000000000
  0.000000000000  0.000000000000  7.721682249155
VIRIAL (kbar)
  67.014458475385  -0.075876350210  1.700120809260
  -0.075876350210  65.693746607238  -1.347120130976
  1.700120809260  -1.347120130976  77.299686403753
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.609708310422  7.679132270786  7.633352780110  0.647890847168  -0.019802627519  0.093173963953  -0.000581240122  -0.001209316548  -0.003043672448
  1  Al  7.678374283797  1.850555725558  1.800131406472  0.247088422162  0.444177543412  0.351543556895  0.000167336904  -0.000665416880  -0.002862922622
  2  Al  1.851078377448  7.611144296583  1.881315639795  0.051167759147  1.044072705139  0.428407396042  -0.002074980379  0.000140229775  0.000335810755
  3  Al  1.842486345928  1.880892062077  7.671683946985  0.210468276808  -0.022745333636  0.195241302472  -0.002109838790  -0.001746722824  -0.001824691872
  4  Al  0.045562552057  7.628078114691  4.019077835212  0.048414832537  0.498458667602  -1.142461552022  0.002180167631  -0.001137321967  0.000139754508
  5  Al  0.018551944330  1.920691163897  5.849496462877  -0.107400786646  -0.006688261723  -0.542991626063  0.000395320969  -0.000597060892  -0.000271059045
  6  Al  1.889226470862  0.004711244780  5.775861186385  0.358038749508  -0.080999494449  0.312148542805  -0.000501398886  0.000837680668  0.000795911152
  7  Al  1.910387513285  1.945252627213  3.943075221769  -0.095173418065  -0.161303220880  -0.439103388254  -0.001164718287  -0.000401265092  0.001353649641
  8  Al  7.665760571914  3.966967874186  7.571572334029  0.153870585910  -0.429938668758  0.874967740192  -0.001186759548  0.001392791484  -0.001253351374
  9  Al  0.039552442448  5.769635746279  1.929461462600  -0.241859958353  -0.039117297747  -0.020807832064  0.000527946373  -0.000878298278  0.000331283234
  10  Al  1.988842285667  3.763933138240  1.939818551372  -0.484462579532  0.442052273534  0.311615351265  -0.000281991935  -0.000022308361  0.002039850162
  11  Al  1.945113349584  5.832598939829  0.154948672216  -0.066356773174  -0.261371691548  -0.770428403848  -0.000332044135  0.000470687170  0.002752754174
  12  Al  7.687580178069  3.899813242846  3.770004342383  0.537899763922  -0.470664532311  0.336521354846  0.001653384661  -0.000320475137  -0.001053515641
  13  Al  0.008440168809  5.742976192491  5.692055546821  -0.074846289203  0.058334072012  0.616791133160  -0.000058678299  -0.001291285226  -0.000577299426
  14  Al  1.895598329741  3.793469060396  5.821701241694  0.160362116901  0.313326363800  -0.387461235122  -0.001006216796  -0.001705438076  -0.000781227105
  15  Al  2.018936198980  5.793745757361  3.738706049300  -0.626390485169  -0.241572182074  0.915051473974  -0.000270975768  -0.001060756758  -0.000869405773
  16  Al  4.008640199077  0.152360235528  0.019333373414  -0.505565678590  -0.757617188443  0.063704211264  0.002948477921  0.002220978973  0.001556198315
  17  Al  3.722286734977  1.805382780434  1.909602695091  0.716655176799  0.552381182890  0.204430915422  -0.000820043433  -0.001777548986  -0.000094607402
  18  Al  5.877695494589  7.598613931435  1.796188966425  -0.319467034944  0.899252057029  0.846154023306  0.000484962254  -0.000876792586  -0.000850658740
  19  Al  5.817336419912  2.045552513886  7.551446178094  -0.070264123239  -0.846632862413  1.285245687086  -0.000319994973  -0.000193125563  -0.000868463881
  20  Al  3.892995371824  0.133843655065  3.873977503962  -0.243350555026  -0.723178638962  0.138240216377  -0.000114857410  0.000860022754  0.000549511718
  21  Al  3.898496683465  1.901224896498  5.842203643739  -0.239605032509  0.364454130331  -0.156528485272  0.000644483253  0.000674367801  0.001668053249
  22  Al  5.791314780632  0.039380464326  5.820403313342  -0.145579133557  -0.174442105867  -0.093717824790  -0.000417671518  0.001570206767  0.001013109591
  23  Al  5.894119685268  1.953482055897  3.843499825378  -0.353892743340  -0.055054571880  0.004944466687  0.001314677272  0.000447319486  0.000385654774
  24  Al  3.902840108557  3.833802245878  0.131778999211  -0.202913363596  0.056780043023  -0.943746829151  0.001166235315  -0.000944469337  0.000025407567
  25  Al  3.825420407309  5.933753893647  2.052363616172  0.538559345958  -0.381720936783  -0.730944753560  0.001080017775  0.002649126605  0.000861071587
  26  Al  5.717255109640  3.974054163831  1.845201463916  0.535110067147  -0.685109046155  0.647009736799  -0.000582638894  0.001426360791  -0.000119796081
  27  Al  5.726852741172  5.839014702322  0.101975742202  0.063831752166  -0.420692234481  -1.177397191716  -0.001784277663  -0.000414357564  -0.001281911557
  28  Al  3.889802963783  3.925917529910  3.952363755036  -0.144108568808  -0.211218925230  -0.320159423527  0.000377135152  0.001351927388  0.000985406956
  29  Al  3.769677793396  5.828733944124  5.975023397422  0.558102460177  -0.125576286846  -0.566278285954  0.000272323517  0.000501526657  0.003138902460
  30  Al  5.820672772308  3.750026529035  5.809197578584  -0.253639692360  1.103219563067  -0.488158841028  -0.000100541803  0.000600359945  -0.001076355784
  31  Al  5.896252242439  5.748117755387  3.830036254237  -0.652583940199  0.338937505867  0.154994599825  0.000496401961  0.000098373809  -0.001103384135


MDSTEP:  72
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.717263426053  0.000000000000  0.000000000000
  0.000000000000  7.717263426053  0.000000000000
  0.000000000000  0.000000000000  7.717263426053
VIRIAL (kbar)
  69.287378251070  -0.069332011064  1.771868048377
  -0.069332011064  67.949626995811  -1.272529054737
  1.771868048377  -1.272529054737  79.638950956177
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.605091815245  7.674132082337  7.627466399410  0.647889617918  -0.020091829373  0.105105682877  -0.000465998210  -0.001214272174  -0.003029427146
  1  Al  7.674074978024  1.849183769249  1.797685101347  0.241813366795  0.450256525301  0.359765437342  0.000211261477  -0.000586172262  -0.002802579134
  2  Al  1.848983577587  7.606905521256  1.880426132169  0.056657539110  1.054806938815  0.430387569704  -0.002067715239  0.000328137029  0.000413015793
  3  Al  1.840386147435  1.878941073475  7.666389855437  0.222545494955  -0.017984026109  0.207696042781  -0.002073525270  -0.001752369516  -0.001790741659
  4  Al  0.046629035542  7.623166309567  4.016796714961  0.037641481252  0.505369792784  -1.148573020763  0.002190365997  -0.001048833192  -0.000065020023
  5  Al  0.018734245032  1.919293111700  5.845989187385  -0.118121015167  -0.001546867405  -0.548794742330  0.000375601285  -0.000598482334  -0.000369031078
  6  Al  1.887910567805  0.005123888496  5.772967899809  0.370208646780  -0.089818680715  0.313381963005  -0.000436831674  0.000823361634  0.000852778219
  7  Al  1.908707493971  1.943931535904  3.941476145862  -0.089536880380  -0.160125640336  -0.447742964735  -0.001182576651  -0.000430477388  0.001275873125
  8  Al  7.660787078191  3.965375111456  7.566651658810  0.154808335080  -0.437965233848  0.884256775035  -0.001160509142  0.001316754280  -0.001097424916
  9  Al  0.039783048364  5.765892982650  1.928522064547  -0.249899518080  -0.037071677808  -0.025251244559  0.000484563638  -0.000886120813  0.000327543182
  10  Al  1.987541462223  3.761787779992  1.939742607600  -0.480713898012  0.435231242241  0.304823873910  -0.000368651154  0.000056139745  0.002097330754
  11  Al  1.943831201153  5.829484897382  0.156202341343  -0.058407289881  -0.265658878780  -0.786096191625  -0.000343585218  0.000424083734  0.002616679134
  12  Al  7.684031834649  3.897400213411  3.767335043767  0.531419363275  -0.477647621897  0.339991163166  0.001750932452  -0.000405669968  -0.000994209409
  13  Al  0.008402646689  5.739046487727  5.688537032057  -0.077750350453  0.062390499937  0.619734850040  -0.000072395488  -0.001281967370  -0.000467353354
  14  Al  1.894017466061  3.790459243434  5.817961665967  0.169398666799  0.322737642915  -0.388210183489  -0.000977873527  -0.001650497723  -0.000851507551
  15  Al  2.017617321281  5.789888894252  3.736172595287  -0.623615061448  -0.240747764366  0.926420813210  -0.000383100534  -0.001105117296  -0.000705681818
  16  Al  4.007798273666  0.153349995229  0.020103476745  -0.518340436707  -0.770160219285  0.055876189316  0.002860270505  0.002086865467  0.001568679770
  17  Al  3.719778499590  1.803485286031  1.908471720810  0.719651865843  0.563750608791  0.207964598038  -0.000692505207  -0.001679748905  -0.000057826813
  18  Al  5.874560188584  7.593867199448  1.794773437935  -0.314136256797  0.910508823028  0.851152558952  0.000428842178  -0.000715913713  -0.000699809017
  19  Al  5.813844198165  2.044247498919  7.546747852781  -0.063173725060  -0.846173761110  1.296804489506  -0.000332298113  -0.000344769938  -0.000638493577
  20  Al  3.890699240030  0.134164878504  3.872041586446  -0.243171184002  -0.726425810973  0.143615612946  -0.000158508894  0.000731340920  0.000575354209
  21  Al  3.896577349113  1.900490464339  5.839687643222  -0.245396620273  0.366144075514  -0.165359549866  0.000601838674  0.000740493850  0.001641173302
  22  Al  5.787785232327  0.040135459683  5.817575030214  -0.147995130245  -0.183202732435  -0.101911509393  -0.000444411016  0.001540016120  0.000996772390
  23  Al  5.891388417387  1.952585416017  3.841493440741  -0.355764157629  -0.055124984145  0.000286050106  0.001252705791  0.000437976896  0.000386564977
  24  Al  3.901180878452  3.831138476057  0.131674121459  -0.212639823230  0.057789297637  -0.946856997011  0.001130401383  -0.000935304288  -0.000143679273
  25  Al  3.823795494589  5.931666115405  2.051587121616  0.538548530665  -0.385535345402  -0.738047440750  0.001177604647  0.002583533372  0.000730656707
  26  Al  5.713715853569  3.972462732553  1.844114523526  0.541333832724  -0.697506848251  0.651668206758  -0.000487018413  0.001304320701  -0.000003765730
  27  Al  5.722685942628  5.835447220689  0.101223633243  0.067912247711  -0.419532931380  -1.182419381545  -0.001774539553  -0.000489991609  -0.001494469283
  28  Al  3.887759159901  3.924337594760  3.950580505207  -0.146018563723  -0.218561456926  -0.320297773268  0.000351615613  0.001315033803  0.000929247783
  29  Al  3.767681691433  5.825643605862  5.973148712476  0.555496448223  -0.125389704527  -0.573920947705  0.000372248149  0.000479652784  0.003040510944
  30  Al  5.817280204594  3.748230097142  5.805313052079  -0.254437825541  1.106810883800  -0.489301914539  -0.000146105049  0.000798737475  -0.001165024944
  31  Al  5.893097152653  5.744892674616  3.827299548463  -0.656207700500  0.340475684306  0.163851984886  0.000379898884  0.000159260678  -0.001076128596


MDSTEP:  73
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.713051808509  0.000000000000  0.000000000000
  0.000000000000  7.713051808509  0.000000000000
  0.000000000000  0.000000000000  7.713051808509
VIRIAL (kbar)
  71.456181256152  -0.061225477702  1.842825272085
  -0.061225477702  70.095725567251  -1.193760152168
  1.842825272085  -1.193760152168  81.869211610695
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.600737298959  7.669335790392  7.621793324551  0.650631858853  -0.022651905177  0.117520249268  -0.000350376675  -0.001219481625  -0.003012971003
  1  Al  7.670003398027  1.847901544425  1.795318407505  0.239418826674  0.455583584790  0.368065143847  0.000254549092  -0.000505813454  -0.002740673236
  2  Al  1.846942883256  7.602965383906  1.879625710533  0.060012720987  1.061033692699  0.432532720552  -0.002059639165  0.000517774643  0.000490675899
  3  Al  1.838354652300  1.877038413941  7.661319648291  0.231946933097  -0.013935354705  0.219730798583  -0.002035237455  -0.001757224921  -0.001754552099
  4  Al  0.047700776124  7.618504057079  4.014520742875  0.030113811477  0.508882256733  -1.153839291862  0.002198926884  -0.000959304971  -0.000271046245
  5  Al  0.018906598479  1.917946278632  5.842589704451  -0.125758231167  0.003438201790  -0.554209686022  0.000354214878  -0.000598996276  -0.000468116633
  6  Al  1.886678323394  0.005528880578  5.770257880677  0.378881938045  -0.100149332598  0.313614432270  -0.000370323734  0.000807308700  0.000909836763
  7  Al  1.907070372609  1.942648197420  3.939943241692  -0.086553717966  -0.159471256699  -0.455866752871  -0.001199677872  -0.000459556859  0.001196501069
  8  Al  7.656032774425  3.963850048215  7.562012877081  0.158162113068  -0.443464998228  0.892923340484  -0.001133838404  0.001239412853  -0.000939707837
  9  Al  0.039992523033  5.762301457922  1.927632284813  -0.254895850476  -0.034481091099  -0.028937928940  0.000439962517  -0.000893532687  0.000323069798
  10  Al  1.986250920028  3.759782350322  1.939746609187  -0.479487111342  0.431202408394  0.298284190130  -0.000454962434  0.000133706776  0.002153673038
  11  Al  1.942595921850  5.826503748402  0.157390692081  -0.053625764871  -0.268623728248  -0.799619044581  -0.000353998811  0.000376775931  0.002477822806
  12  Al  7.680737824943  3.895049007508  3.764797001329  0.527208046882  -0.480998354566  0.343222094135  0.001847625796  -0.000491884403  -0.000934230435
  13  Al  0.008358378153  5.735276077293  5.685226519996  -0.077930819750  0.067006898126  0.621181587128  -0.000086403886  -0.001271855974  -0.000356886167
  14  Al  1.892502314528  3.787579569309  5.814343345538  0.174853343726  0.333560581569  -0.389339557324  -0.000948196171  -0.001593675417  -0.000922031722
  15  Al  2.016296752787  5.786165641722  3.733822071794  -0.623521967820  -0.238914822721  0.935377010428  -0.000495094885  -0.001149284779  -0.000539948494
  16  Al  4.007018452241  0.154275629829  0.020879573508  -0.533588389325  -0.784337717492  0.048754556226  0.002769439697  0.001950196800  0.001579829577
  17  Al  3.717434273279  1.801686122962  1.907410563375  0.719052139749  0.573703815477  0.211457339623  -0.000564602811  -0.001579920309  -0.000020375303
  18  Al  5.871554653819  7.589405550079  1.793481986886  -0.306028306248  0.917476496697  0.855121045979  0.000373857620  -0.000553216615  -0.000547980715
  19  Al  5.810502331086  2.042921622646  7.542367902356  -0.053343184645  -0.844469082733  1.306583430195  -0.000343099906  -0.000496392369  -0.000406347935
  20  Al  3.888485786228  0.134424975523  3.870222639083  -0.246164742652  -0.731799565273  0.147846632203  -0.000202461179  0.000601736655  0.000602082386
  21  Al  3.894740873783  1.899840009211  5.837314132468  -0.253942763011  0.366849805517  -0.174084192407  0.000557859454  0.000806905762  0.001612683156
  22  Al  5.784397723237  0.040875604322  5.814894127100  -0.147295375465  -0.193915818620  -0.110162430848  -0.000471332171  0.001508040479  0.000978940005
  23  Al  5.888783891766  1.951736402106  3.839590337247  -0.354659099312  -0.055112459427  -0.004287653505  0.001190587923  0.000428616016  0.000386648267
  24  Al  3.899607713861  3.828582463911  0.131488088227  -0.224216586310  0.061000576250  -0.948329214633  0.001092614614  -0.000925746051  -0.000313368688
  25  Al  3.822321739554  5.929703888161  2.050799943519  0.534520942985  -0.388729804176  -0.743846807933  0.001274935431  0.002517223854  0.000598934468
  26  Al  5.710378261455  3.970915984443  1.843135354860  0.549538892121  -0.705979053277  0.655747043554  -0.000389995162  0.001180266925  0.000113178961
  27  Al  5.718678348864  5.831998769214  0.100368097299  0.075061018525  -0.417598929754  -1.184611825594  -0.001763776023  -0.000565432788  -0.001707907310
  28  Al  3.885806789552  3.922843871425  3.948874963872  -0.150603629709  -0.223133508260  -0.321064757488  0.000325483943  0.001277024967  0.000872938231
  29  Al  3.765836520353  5.822698614213  5.971383984191  0.549706388440  -0.124692186396  -0.581850754402  0.000471534025  0.000457830314  0.002940597066
  30  Al  5.814021039219  3.746633485918  5.801540312070  -0.251627004253  1.110967031245  -0.489473784472  -0.000191539585  0.000998030589  -0.001253906741
  31  Al  5.890041736371  5.741852327023  3.824679938135  -0.655866430308  0.341753620162  0.171562068276  0.000262966781  0.000220468236  -0.001047353951


MDSTEP:  74
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.709051721536  0.000000000000  0.000000000000
  0.000000000000  7.709051721536  0.000000000000
  0.000000000000  0.000000000000  7.709051721536
VIRIAL (kbar)
  73.516387077959  -0.053493513888  1.914238924713
  -0.053493513888  72.136641985274  -1.111009993472
  1.914238924713  -1.111009993472  83.976714565976
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.596649293366  7.664747435863  7.616338871698  0.650860241696  -0.023358947016  0.129950900522  -0.000234355689  -0.001224981944  -0.002994255661
  1  Al  7.666163649072  1.846710574331  1.793033025617  0.235253485541  0.461102354112  0.375177824545  0.000297297680  -0.000424389969  -0.002677301798
  2  Al  1.844957582994  7.599328771042  1.878915654579  0.066013478270  1.067302317460  0.433203656880  -0.002050704664  0.000708742763  0.000568673377
  3  Al  1.836393693989  1.875185454445  7.656478665728  0.243669499253  -0.009003879641  0.231379261436  -0.001995004308  -0.001761272048  -0.001716192356
  4  Al  0.048777182737  7.614095945802  4.012251633927  0.020738541840  0.513487867522  -1.157361710478  0.002205972368  -0.000868942915  -0.000478091544
  5  Al  0.019068334898  1.916652171316  5.839300766640  -0.135311098096  0.009013839270  -0.558099971299  0.000331264343  -0.000598562557  -0.000568144541
  6  Al  1.885531581065  0.005925315341  5.767734423484  0.389480372907  -0.108683544713  0.314240173947  -0.000302013997  0.000789545187  0.000967031581
  7  Al  1.905477451620  1.941403740264  3.938477998301  -0.080920543058  -0.158474677923  -0.463171971698  -0.001216020640  -0.000488519002  0.001115651354
  8  Al  7.651502233919  3.962394423102  7.557661026455  0.159779006577  -0.450767930279  0.900495609213  -0.001106685881  0.001160830747  -0.000780353008
  9  Al  0.040180440024  5.758864611306  1.926792881179  -0.261241454612  -0.032013760672  -0.033555492723  0.000394293445  -0.000900495213  0.000317846568
  10  Al  1.984971846974  3.757918622668  1.939831126896  -0.474977780181  0.425126988736  0.289922085878  -0.000540856150  0.000210457483  0.002208733591
  11  Al  1.941409016970  5.823658490509  0.158512623500  -0.046363202405  -0.271573214307  -0.812490529623  -0.000363344792  0.000328882973  0.002336432571
  12  Al  7.677702151257  3.892761473282  3.762392609714  0.520438948571  -0.485483600793  0.346801306022  0.001943435949  -0.000578894972  -0.000873568412
  13  Al  0.008307345683  5.731668562289  5.682127350891  -0.079706111451  0.071371201568  0.622786079264  -0.000100602657  -0.001260922120  -0.000246018148
  14  Al  1.891054409730  3.784833107452  5.810849397536  0.182314918955  0.342270565485  -0.388845915563  -0.000917323986  -0.001535031649  -0.000992687522
  15  Al  2.014975588592  5.782579368005  3.731657407579  -0.620055589627  -0.236865323900  0.943225021228  -0.000606895374  -0.001193148372  -0.000372520117
  16  Al  4.006301658992  0.155135966105  0.021661079796  -0.547632199494  -0.796060845773  0.041271824891  0.002675868734  0.001811044041  0.001589676247
  17  Al  3.715256109927  1.799987181944  1.906420614800  0.719519272879  0.584036088781  0.213751608326  -0.000436563283  -0.001478154056  0.000017636616
  18  Al  5.868682900813  7.585233895107  1.792316003950  -0.299839563958  0.924657586642  0.856990017693  0.000320087067  -0.000389065370  -0.000395454119
  19  Al  5.807314944389  2.041576127819  7.538311486896  -0.045550573394  -0.841198764530  1.314091676711  -0.000352335545  -0.000647739426  -0.000172389230
  20  Al  3.886356905822  0.134623518508  3.868523232375  -0.247497102583  -0.734975493164  0.152249189136  -0.000246849243  0.000471216466  0.000629609659
  21  Al  3.892988678206  1.899274697828  5.835085635238  -0.260692518241  0.367493008078  -0.181705371088  0.000512458602  0.000873509107  0.001582688774
  22  Al  5.781155540474  0.041599990441  5.812363145390  -0.148459540981  -0.202456258963  -0.117749095149  -0.000498322692  0.001474297166  0.000959664776
  23  Al  5.886309520071  1.950936117302  3.837792268311  -0.355642565494  -0.054934645711  -0.008192486496  0.001128403080  0.000419258937  0.000385970927
  24  Al  3.898121781896  3.826136623902  0.131220785667  -0.234357251065  0.062272476482  -0.948931440475  0.001052835650  -0.000915770363  -0.000483434966
  25  Al  3.821000983819  5.927870292764  2.050002690132  0.530914801876  -0.391910291580  -0.749750901880  0.001371686542  0.002450253522  0.000466011804
  26  Al  5.707246287213  3.969415381612  1.842265392187  0.554874848146  -0.715332016839  0.657885052538  -0.000291647871  0.001054470383  0.000230812208
  27  Al  5.714833766458  5.828672755931  0.099408892761  0.080544362244  -0.415364794354  -1.185077263215  -0.001751859725  -0.000640583624  -0.001921815839
  28  Al  3.883947622100  3.921438170620  3.947249281601  -0.153662387021  -0.229380973763  -0.321450218654  0.000298636831  0.001237997399  0.000816456256
  29  Al  3.764143913836  5.819902301296  5.969731894002  0.544849745292  -0.124130741431  -0.588902311769  0.000569977756  0.000436092871  0.002839211736
  30  Al  5.810898770055  3.745239248636  5.797882540910  -0.250358890806  1.111466079247  -0.487509245573  -0.000236659837  0.001197961016  -0.001342721856
  31  Al  5.887089299799  5.739000069300  3.822180240288  -0.656983151579  0.342369331970  0.179372637454  0.000145830617  0.000281913543  -0.001017151945


MDSTEP:  75
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.705267176807  0.000000000000  0.000000000000
  0.000000000000  7.705267176807  0.000000000000
  0.000000000000  0.000000000000  7.705267176807
VIRIAL (kbar)
  75.462593715123  -0.046299481920  1.984736947437
  -0.046299481920  74.059794984718  -1.022993366483
  1.984736947437  -1.022993366483  85.967941430353
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.592831800698  7.660370912737  7.611108048285  0.652779660917  -0.026272953212  0.142813645164  -0.000118009709  -0.001230804491  -0.002973237320
  1  Al  7.662559368018  1.845612327117  1.790830478259  0.233069129829  0.464983981085  0.385760576179  0.000339524769  -0.000342030692  -0.002612258483
  2  Al  1.843029126121  7.596000271401  1.878297038960  0.068619528490  1.069587757648  0.436693038640  -0.002040976940  0.000900687688  0.000647127636
  3  Al  1.834505239506  1.873383567641  7.651871903037  0.252082929116  -0.004827453993  0.243105062812  -0.001952911575  -0.001764497693  -0.001675687282
  4  Al  0.049857498360  7.609946355342  4.009991088232  0.013079923787  0.515357646348  -1.160351922095  0.002211487918  -0.000777893721  -0.000685950733
  5  Al  0.019218611455  1.915412271178  5.836125021426  -0.142997445988  0.013501085672  -0.565015167012  0.000306743639  -0.000597224360  -0.000669248588
  6  Al  1.884472282382  0.006312446862  5.765400626059  0.396132194211  -0.119270687296  0.310975550322  -0.000232081936  0.000770046063  0.001024048869
  7  Al  1.903930191775  1.940199243352  3.937081815339  -0.078596353747  -0.158267067919  -0.470629168432  -0.001231662280  -0.000517403070  0.001033382405
  8  Al  7.647199564067  3.961009650188  7.553600744958  0.163900235953  -0.455753155196  0.907152678654  -0.001078982201  0.001081053004  -0.000619539906
  9  Al  0.040346249027  5.755585636244  1.926004449696  -0.265162026472  -0.027833702081  -0.034695417632  0.000347651812  -0.000906865205  0.000312100366
  10  Al  1.983705640569  3.756198037287  1.939996492634  -0.473187249718  0.420979935937  0.284379271706  -0.000626280105  0.000286379331  0.002262598442
  11  Al  1.940272134459  5.820951884391  0.159567082370  -0.042529482860  -0.272949952801  -0.823240870079  -0.000371706448  0.000280546689  0.002192754207
  12  Al  7.674928279418  3.890539195661  3.760124143499  0.515201225245  -0.487250632330  0.350308754466  0.002038268032  -0.000666559586  -0.000812198170
  13  Al  0.008249388242  5.728227288120  5.679242651903  -0.079408420762  0.077460306740  0.619949016087  -0.000114949026  -0.001249032695  -0.000135133268
  14  Al  1.889675389630  3.782222586121  5.807482844917  0.186130895174  0.352655254566  -0.391346820729  -0.000885402152  -0.001474603562  -0.001063596466
  15  Al  2.013655139306  5.779133223491  3.729681286634  -0.619587234671  -0.233386606840  0.949594056965  -0.000718466569  -0.001236559433  -0.000203628057
  16  Al  4.005648760620  0.155930039614  0.022447379508  -0.563350156836  -0.809625595342  0.034113087933  0.002579512376  0.001669460047  0.001598214131
  17  Al  3.713246011931  1.798390317525  1.905503083942  0.716634296252  0.593030501143  0.219313555798  -0.000308592246  -0.001374534274  0.000056394197
  18  Al  5.865948528683  7.581356862871  1.791276624427  -0.289212910844  0.928493351653  0.860903856923  0.000267757706  -0.000223740303  -0.000242235006
  19  Al  5.804285745464  2.040212308666  7.534583265500  -0.033971278169  -0.837792793283  1.319582591963  -0.000359846551  -0.000798656467  0.000062998255
  20  Al  3.884314482960  0.134760266425  3.866945796488  -0.250941179286  -0.739758632358  0.156194544756  -0.000291713224  0.000339833521  0.000657910759
  21  Al  3.891322183840  1.898795616999  5.833004536310  -0.269401491947  0.366568039580  -0.192645384575  0.000465620257  0.000940157022  0.001550989924
  22  Al  5.778061568283  0.042307902049  5.809984449144  -0.145522143103  -0.212942063539  -0.128744237249  -0.000525181942  0.001438804240  0.000938699391
  23  Al  5.883968286572  1.950185600167  3.836100891160  -0.352485498146  -0.055737796337  -0.012191626910  0.001066334979  0.000409832622  0.000384583321
  24  Al  3.896724218347  3.823803041478  0.130872166139  -0.246838217363  0.065690550742  -0.947444268639  0.001010981351  -0.000905357956  -0.000653611520
  25  Al  3.819834955384  5.926168169426  2.049195872422  0.523436684483  -0.394210516438  -0.751759748686  0.001467546861  0.002382701308  0.000332227824
  26  Al  5.704323399849  3.967962141955  1.841505825754  0.562834153011  -0.721743978896  0.662642614270  -0.000191998088  0.000927114437  0.000349193962
  27  Al  5.711155620448  5.825472375904  0.098345919708  0.089769227622  -0.411000417843  -1.182859085630  -0.001738602984  -0.000715225178  -0.002135797378
  28  Al  3.882183404562  3.920121993044  3.945705481166  -0.159182949349  -0.233446770378  -0.322387079686  0.000270989976  0.001197995135  0.000759786782
  29  Al  3.762605439500  5.817257750065  5.968194957112  0.536772218648  -0.122314800744  -0.599008098925  0.000667372309  0.000414540661  0.002736158576
  30  Al  5.807916515266  3.744049467176  5.794342872417  -0.244916467222  1.112077064827  -0.488062026730  -0.000281229390  0.001398209372  -0.001431502586
  31  Al  5.884242775537  5.736338968020  3.819803126386  -0.653151796253  0.344000100888  0.186899020370  0.000028803713  0.000343627547  -0.000985537293


MDSTEP:  76
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.701701870924  0.000000000000  0.000000000000
  0.000000000000  7.701701870924  0.000000000000
  0.000000000000  0.000000000000  7.701701870924
VIRIAL (kbar)
  77.292944709981  -0.038180636376  2.055041602552
  -0.038180636376  75.873733716341  -0.934739036481
  2.055041602552  -0.934739036481  87.824127930960
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.589288667953  7.656209603469  7.606105588871  0.651098468721  -0.027329546887  0.155204410579  -0.000001510654  -0.001236980258  -0.002949915863
  1  Al  7.659194056997  1.844608052039  1.788712526259  0.227992094962  0.470212139485  0.392052758356  0.000381147512  -0.000258761487  -0.002545614455
  2  Al  1.841158582520  7.592983814476  1.877771116715  0.074264603914  1.071341218186  0.435780370729  -0.002030486107  0.001093203708  0.000725896213
  3  Al  1.832690885907  1.871633981205  7.647504050621  0.262881630785  0.000588929465  0.253621467329  -0.001909039455  -0.001766856706  -0.001633135485
  4  Al  0.050941118395  7.606059112465  4.007740681679  0.002794033955  0.517949709979  -1.160804306228  0.002215389268  -0.000686337565  -0.000894347073
  5  Al  0.019356750260  1.914227883994  5.833064603017  -0.153565505029  0.019312024645  -0.567261439321  0.000280560367  -0.000594959361  -0.000771281297
  6  Al  1.883501941799  0.006689344678  5.763259005190  0.404570671868  -0.127528826414  0.311140668857  -0.000160719739  0.000748833968  0.001080846007
  7  Al  1.902429679138  1.939035634464  3.935755915198  -0.073452931894  -0.156676907851  -0.476404806494  -0.001246645042  -0.000546155264  0.000949830048
  8  Al  7.643128783959  3.959697186276  7.549836285581  0.164692987361  -0.462356432115  0.912815477963  -0.001050800331  0.001000141414  -0.000457439517
  9  Al  0.040489613175  5.752467643385  1.925267818383  -0.271418689682  -0.025231636915  -0.039372352206  0.000300044931  -0.000912629442  0.000305825225
  10  Al  1.982453370967  3.754622055787  1.940243213821  -0.468253458196  0.415608016215  0.274813912955  -0.000711194392  0.000361533183  0.002315156866
  11  Al  1.939186536176  5.818386591668  0.160553194156  -0.036330492643  -0.274868574664  -0.833563425889  -0.000379177525  0.000231859293  0.002047014017
  12  Al  7.672419502482  3.888383839883  3.757993718966  0.506416539009  -0.489644150210  0.353953253715  0.002131938470  -0.000754690425  -0.000750113503
  13  Al  0.008184529176  5.724955520145  5.676574924663  -0.081837493417  0.082209293121  0.620172137878  -0.000129501400  -0.001236151795  -0.000024356468
  14  Al  1.888366489916  3.779750730414  5.804246202319  0.191919384622  0.360662602831  -0.389802466682  -0.000852579156  -0.001412452113  -0.001134663435
  15  Al  2.012336360968  5.775830247957  3.727896114391  -0.615655279591  -0.230954093671  0.954258829211  -0.000829764770  -0.001279482053  -0.000033557527
  16  Al  4.005060307672  0.156656710225  0.023237885406  -0.576153395965  -0.820194950771  0.026508419380  0.002480478534  0.001525546376  0.001605430002
  17  Al  3.711405534416  1.796897194472  1.904659395464  0.716700133648  0.602781887366  0.220542204764  -0.000180727213  -0.001269111564  0.000095802428
  18  Al  5.863355292193  7.577778478586  1.790365098554  -0.281743306610  0.932091143478  0.859634914636  0.000216986301  -0.000057562684  -0.000088605183
  19  Al  5.801418542932  2.038831382558  7.531187417441  -0.025409058903  -0.832027422886  1.322546540490  -0.000365561874  -0.000948917478  0.000299406523
  20  Al  3.882360052314  0.134834824432  3.865492564177  -0.251258975241  -0.742411971420  0.160204563762  -0.000336962183  0.000207635164  0.000686950772
  21  Al  3.889742476087  1.898403638558  5.831072684528  -0.274649563495  0.366485585099  -0.199127627866  0.000417477525  0.001006783343  0.001517686266
  22  Al  5.775118820123  0.042998446584  5.807759859439  -0.145044083481  -0.220833905023  -0.135661761688  -0.000551762282  0.001401617552  0.000916101641
  23  Al  5.881763303586  1.949485721706  3.834517697691  -0.352312542308  -0.055211469774  -0.014988042978  0.001004487522  0.000400368105  0.000382583635
  24  Al  3.895415788954  3.821583837575  0.130442357142  -0.255659531197  0.067072205760  -0.945867711366  0.000967167478  -0.000894498240  -0.000823701046
  25  Al  3.818824883791  5.924600193577  2.048380261093  0.518025764793  -0.397231110259  -0.756374977088  0.001562352014  0.002314580657  0.000197698450
  26  Al  5.701613073372  3.966557579690  1.840858009220  0.567709854132  -0.728531783292  0.662613452908  -0.000091086733  0.000798428028  0.000468129498
  27  Al  5.707647436698  5.822400773591  0.097179305458  0.096921834578  -0.407375932410  -1.179344208507  -0.001723854353  -0.000789231201  -0.002349492184
  28  Al  3.880515504083  3.918896873146  3.944245373115  -0.161558536281  -0.238867445585  -0.322588719535  0.000242603824  0.001157091011  0.000702946438
  29  Al  3.761222226607  5.814767917302  5.966775169130  0.531595032276  -0.121691892074  -0.605461467508  0.000763686241  0.000393179484  0.002631489313
  30  Al  5.805077527166  3.743066088162  5.790923974548  -0.241701085128  1.109079242907  -0.483423938050  -0.000325072727  0.001598459951  -0.001520007922
  31  Al  5.881505293923  5.733871948353  3.817551087244  -0.651579105563  0.343574053685  0.194183867895  -0.000087871717  0.000405516401  -0.000952555389


MDSTEP:  77
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.698359183076  0.000000000000  0.000000000000
  0.000000000000  7.698359183076  0.000000000000
  0.000000000000  0.000000000000  7.698359183076
VIRIAL (kbar)
  79.002806829202  -0.031114915100  2.124083604787
  -0.031114915100  77.560887483403  -0.841141304882
  2.124083604787  -0.841141304882  89.552761290181
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.586023111582  7.652266740072  7.601335872366  0.650324508708  -0.029170214007  0.168236438581  0.000114899091  -0.001243412979  -0.002924272548
  1  Al  7.656070645344  1.843699045775  1.786680474687  0.224556751638  0.474226030107  0.399976783588  0.000422052572  -0.000174570555  -0.002477605517
  2  Al  1.839347217448  7.590282976743  1.877338673176  0.079191666391  1.070219075851  0.436145361204  -0.002019022916  0.001285983455  0.000804698549
  3  Al  1.830952369069  1.869937955814  7.643379376869  0.272895255273  0.005905417208  0.264216571865  -0.001863242562  -0.001768245297  -0.001588635660
  4  Al  0.052027202039  7.602437798049  4.005502043942  -0.005996753377  0.518940207421  -1.160572844019  0.002217572270  -0.000594353501  -0.001102989655
  5  Al  0.019481813716  1.913100355046  5.830121818364  -0.162513356582  0.024545881735  -0.570701138977  0.000252600060  -0.000591699498  -0.000873931043
  6  Al  1.882622158726  0.007055285376  5.761312149229  0.411382303781  -0.136374822109  0.308856313422  -0.000087912436  0.000726062682  0.001137509143
  7  Al  1.900977172446  1.937913883815  3.934501505558  -0.069066056255  -0.155530181753  -0.482049558446  -0.001260782900  -0.000574690779  0.000865155707
  8  Al  7.639293300725  3.958458177649  7.546371507111  0.167265488030  -0.467974250072  0.917734590370  -0.001022278186  0.000918038799  -0.000294207924
  9  Al  0.040609983276  5.749513364745  1.924583419479  -0.275760164064  -0.021441337775  -0.042136933293  0.000251434601  -0.000917821612  0.000298875175
  10  Al  1.981216304448  3.753191878114  1.940571360921  -0.463302621763  0.411025729920  0.266216098237  -0.000795314235  0.000435878027  0.002366132338
  11  Al  1.938153615334  5.815964984028  0.161470111253  -0.030988768938  -0.275883274354  -0.841785666052  -0.000385621856  0.000182853355  0.001899436940
  12  Al  7.670178484213  3.886296851309  3.756003311780  0.498652445372  -0.490285968724  0.357454364198  0.002224217690  -0.000843185778  -0.000687314707
  13  Al  0.008112547081  5.721856168096  5.674126714264  -0.082538961956  0.087984509413  0.617485719713  -0.000144349121  -0.001222306004  0.000086324063
  14  Al  1.887129045786  3.777419899110  5.801142103696  0.196593472415  0.368977107564  -0.389489921512  -0.000818777302  -0.001348760774  -0.001205635429
  15  Al  2.011020432090  5.772673147602  3.726303996588  -0.612134279747  -0.227441068079  0.957080240310  -0.000940514672  -0.001321911431  0.000137373088
  16  Al  4.004536943178  0.157315094153  0.024031970096  -0.590531027495  -0.831130375567  0.019421902552  0.002378884357  0.001379536931  0.001611328004
  17  Al  3.709736347700  1.795509474767  1.903890509766  0.713897905374  0.611814474843  0.223188849696  -0.000052962616  -0.001161881391  0.000135600669
  18  Al  5.860906421031  7.574502439938  1.789582144908  -0.272405662585  0.933084115904  0.858717051322  0.000167659914  0.000109211850  0.000065001502
  19  Al  5.798716636760  2.037434688223  7.528127594444  -0.015543986508  -0.825536100890  1.323496876495  -0.000369632586  -0.001098243198  0.000536427112
  20  Al  3.880495266161  0.134846977754  3.864165616260  -0.253451460369  -0.745546181408  0.163480428824  -0.000382483809  0.000074769736  0.000716669922
  21  Al  3.888250787569  1.898099634255  5.829292086049  -0.281593358115  0.365517938056  -0.207107395087  0.000368187322  0.001073382833  0.001483040567
  22  Al  5.772329850455  0.043670960499  5.805691321708  -0.142756010683  -0.229227669218  -0.144294414828  -0.000578120858  0.001362922216  0.000892080919
  23  Al  5.879697172660  1.948837391296  3.833044129226  -0.350487829689  -0.055293266394  -0.017796926160  0.000942742188  0.000390929817  0.000380077505
  24  Al  3.894197424442  3.819480793633  0.129931482439  -0.266379282705  0.069326154863  -0.942211865677  0.000921549546  -0.000883294589  -0.000993506696
  25  Al  3.817972029798  5.923168730690  2.047556304579  0.509413270849  -0.399855942915  -0.758639256193  0.001655997305  0.002245861796  0.000062401798
  26  Al  5.699118275010  3.965202807451  1.840322797017  0.572519786488  -0.733180683770  0.663282511619  0.000010804524  0.000668568814  0.000587251841
  27  Al  5.704312320677  5.819460784541  0.095909280652  0.105452698054  -0.402368223105  -1.172764998962  -0.001707673655  -0.000862542035  -0.002562505771
  28  Al  3.878945407941  3.917764061619  3.942870669480  -0.166023328893  -0.243196416875  -0.323338548627  0.000213572271  0.001115260519  0.000645952240
  29  Al  3.759995512128  5.812435412992  5.965474603451  0.523668272742  -0.120560163669  -0.613423402044  0.000858930126  0.000371948472  0.002525394171
  30  Al  5.802384618247  3.742290589155  5.787628736868  -0.236760753897  1.104881148962  -0.479381110248  -0.000368233181  0.001798279046  -0.001607824544
  31  Al  5.878879536953  5.731601517707  3.815426435842  -0.647580161493  0.343548348834  0.200703878127  -0.000204178608  0.000467431074  -0.000918294749


MDSTEP:  78
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.695242170191  0.000000000000  0.000000000000
  0.000000000000  7.695242170191  0.000000000000
  0.000000000000  0.000000000000  7.695242170191
VIRIAL (kbar)
  80.590822180446  -0.023572810134  2.191133792143
  -0.023572810134  79.131896421894  -0.747239382450
  2.191133792143  -0.747239382450  91.142089131746
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.583038115722  7.648545163269  7.596803017151  0.646545116399  -0.028751572523  0.180800516869  0.000231029950  -0.001249970324  -0.002896288339
  1  Al  7.653191890079  1.842886422459  1.784735701433  0.219021367691  0.479127831946  0.405825362675  0.000462197346  -0.000089487240  -0.002408269719
  2  Al  1.837596154792  7.587900767337  1.877000532466  0.087451996262  1.069447633271  0.434122764493  -0.002006351608  0.001478797904  0.000883433853
  3  Al  1.829291279434  1.868296664408  7.639501838732  0.285649524483  0.012375142802  0.273884222444  -0.001815343665  -0.001768567340  -0.001542261503
  4  Al  0.053115040493  7.599085534674  4.003276690218  -0.016809655046  0.521321308835  -1.158112371650  0.002217986828  -0.000501961030  -0.001311614578
  5  Al  0.019593006818  1.912030898108  5.827298619463  -0.173746799428  0.031034172836  -0.571687702500  0.000222801524  -0.000587382854  -0.000977083903
  6  Al  1.881834311320  0.007409491717  5.759562188842  0.420713261979  -0.142840440903  0.307865792332  -0.000013579635  0.000701890816  0.001193933390
  7  Al  1.899573782432  1.936834839661  3.933319638136  -0.061635289702  -0.153492325843  -0.486382545248  -0.001273869529  -0.000602968640  0.000779488048
  8  Al  7.635696361473  3.957293690114  7.543209891952  0.167509284481  -0.475806486364  0.921099151734  -0.000993464451  0.000834634715  -0.000130051750
  9  Al  0.040706977728  5.746725397479  1.923951775296  -0.281843474177  -0.018474976267  -0.046530566194  0.000201835824  -0.000922407997  0.000291274773
  10  Al  1.979995622801  3.751908620261  1.940981012016  -0.454821108539  0.404083534842  0.255295170624  -0.000878319788  0.000509271190  0.002415400000
  11  Al  1.937174607296  5.813689268757  0.162317162115  -0.022808536989  -0.276994212631  -0.849761764069  -0.000390860805  0.000133601416  0.001750232161
  12  Al  7.668207662348  3.884279665600  3.754154729700  0.487947891854  -0.492487636880  0.361646767257  0.002314930019  -0.000932027185  -0.000623752605
  13  Al  0.008033373980  5.718931994181  5.671900072086  -0.085201241266  0.092665561686  0.615894201731  -0.000159513089  -0.001207499973  0.000196744203
  14  Al  1.885964214956  3.775232322458  5.798172827022  0.203348834362  0.374604998094  -0.386902284563  -0.000783909148  -0.001283741010  -0.001276417413
  15  Al  2.009708406104  5.769664481644  3.724906724555  -0.604766737615  -0.224242825229  0.958948579324  -0.001050406270  -0.001363777286  0.000308911989
  16  Al  4.004078998444  0.157904263096  0.024829052005  -0.602918701803  -0.838895674074  0.011727466821  0.002274764602  0.001231681755  0.001615897817
  17  Al  3.708239714869  1.794228684813  1.903197435910  0.713031287530  0.621316785109  0.223567386059  0.000074616139  -0.001052865097  0.000175712657
  18  Al  5.858605065334  7.571531900804  1.788928443990  -0.266235190233  0.934502582218  0.854670809161  0.000119664611  0.000276386481  0.000218334267
  19  Al  5.796183200860  2.036023538530  7.525406961893  -0.008822932746  -0.817203381589  1.321679877134  -0.000372221319  -0.001246400203  0.000773629262
  20  Al  3.878721444879  0.134796458114  3.862966807750  -0.253355674580  -0.746072642498  0.167115716948  -0.000428240557  -0.000058571303  0.000747034676
  21  Al  3.886848034605  1.897884320076  5.827664368151  -0.285821920579  0.364706575730  -0.212818354679  0.000317840133  0.001139888776  0.001447120168
  22  Al  5.769697132799  0.044324732313  5.803780384118  -0.143355839453  -0.234714377063  -0.151035786815  -0.000604353180  0.001322931648  0.000866651350
  23  Al  5.877772395150  1.948241382217  3.831681465438  -0.351580146603  -0.054558124830  -0.019374980688  0.000880986410  0.000381536430  0.000377173212
  24  Al  3.893069721029  3.817495609302  0.129339839887  -0.274654607478  0.068986543364  -0.938111154917  0.000874174648  -0.000871900351  -0.001162799379
  25  Al  3.817277211797  5.921875932052  2.046724570779  0.502057810485  -0.402565777681  -0.761646755192  0.001748305350  0.002176571863  -0.000073517183
  26  Al  5.696841731458  3.963898958439  1.839901033493  0.573887779211  -0.739016792083  0.661165459758  0.000113361484  0.000537622254  0.000706372389
  27  Al  5.701153262547  5.816655121603  0.094536337416  0.111596854076  -0.397404269872  -1.164881141538  -0.001690148968  -0.000935035601  -0.002774442227
  28  Al  3.877474253132  3.916724741476  3.941582866463  -0.168231524149  -0.249568117947  -0.323434985906  0.000183909908  0.001072417678  0.000588813986
  29  Al  3.758926133238  5.810262648756  5.964294945816  0.517560226282  -0.119717678247  -0.619685592312  0.000953017691  0.000350867560  0.002417889102
  30  Al  5.799840510845  3.741724191484  5.784459749850  -0.233848141336  1.096466214610  -0.472341376797  -0.000410736259  0.001997177813  -0.001694734817
  31  Al  5.876368153346  5.729529981756  3.813431258272  -0.645863713373  0.342168427180  0.207398117705  -0.000320101859  0.000529285135  -0.000882806871


MDSTEP:  79
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.692353572281  0.000000000000  0.000000000000
  0.000000000000  7.692353572281  0.000000000000
  0.000000000000  0.000000000000  7.692353572281
VIRIAL (kbar)
  82.049063547829  -0.016196258644  2.257079146112
  -0.016196258644  80.569697086851  -0.647746539909
  2.257079146112  -0.647746539909  92.601163743212
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.580336087661  7.645047600021  7.592510787563  0.644371090294  -0.030585206716  0.193845809244  0.000346754433  -0.001256651128  -0.002865958590
  1  Al  7.650560046651  1.842171302993  1.782879327325  0.215279415837  0.481799880965  0.415311901050  0.000501552720  -0.000003631891  -0.002337465837
  2  Al  1.835906740826  7.585839921685  1.876757231076  0.092213232210  1.064199397217  0.435554255214  -0.001992484970  0.001671274289  0.000962195800
  3  Al  1.827709378819  1.866711305739  7.635874997296  0.294746745376  0.017490656554  0.283437154649  -0.001765422347  -0.001767838825  -0.001494104195
  4  Al  0.054203742281  7.596005259508  4.001066162183  -0.025738438206  0.520606892241  -1.155427854051  0.002216617629  -0.000409313441  -0.001519998495
  5  Al  0.019689327848  1.911020760629  5.824596933420  -0.183017857646  0.035858479713  -0.575838976568  0.000191134186  -0.000582044695  -0.001080802002
  6  Al  1.881139928600  0.007751397911  5.758011135552  0.425531061489  -0.151169162901  0.302359331501  0.000062100835  0.000676363156  0.001249828836
  7  Al  1.898220813109  1.935799349007  3.932211316858  -0.057683629966  -0.153013258335  -0.490851515661  -0.001285941909  -0.000631047561  0.000692932151
  8  Al  7.632340691404  3.956204425466  7.540354478968  0.169722148055  -0.481011887380  0.923654763098  -0.000964390979  0.000749965557  0.000034816070
  9  Al  0.040780055527  5.744106028095  1.923373182902  -0.285632061193  -0.013394653016  -0.046891759056  0.000151297656  -0.000926272045  0.000283238268
  10  Al  1.978792738989  3.750773035226  1.941471959687  -0.449241197746  0.399598028736  0.247692274164  -0.000960151833  0.000581718880  0.002463045081
  11  Al  1.936250921470  5.811561403327  0.163093685342  -0.018435457002  -0.276042545601  -0.854801838873  -0.000394979421  0.000084279815  0.001599684094
  12  Al  7.666508899547  3.882333415369  3.752449689949  0.478579422072  -0.491403821881  0.365442416771  0.002403927726  -0.001021058840  -0.000559400732
  13  Al  0.007946765563  5.716185427641  5.669896917721  -0.085998379891  0.099460363046  0.609380330423  -0.000175001899  -0.001191641128  0.000306559463
  14  Al  1.884873264823  3.773189837307  5.795340611929  0.206146059068  0.381723876896  -0.387681293192  -0.000748141593  -0.001217498747  -0.001347105112
  15  Al  2.008401593518  5.766806541714  3.723705857434  -0.600633450590  -0.218897429515  0.958700305401  -0.001159381627  -0.001404913810  0.000480782407
  16  Al  4.003686814116  0.158423560262  0.025628494541  -0.616582480740  -0.848391009737  0.005054752132  0.002168180948  0.001082109408  0.001619174181
  17  Al  3.706916923837  1.793056323177  1.902580903404  0.709141509467  0.628681914694  0.227491866370  0.000201909508  -0.000942211110  0.000216252322
  18  Al  5.856453849590  7.568869747459  1.788404328401  -0.255785773963  0.932137593229  0.853147013897  0.000073102019  0.000443658508  0.000371336077
  19  Al  5.793820889617  2.034599321750  7.523028136652  0.001642247562  -0.808887757488  1.317973430018  -0.000373272542  -0.001393221102  0.001010592516
  20  Al  3.877039951804  0.134683219885  3.861897868282  -0.255329635445  -0.748584025464  0.169586289740  -0.000474212219  -0.000192330628  0.000777972895
  21  Al  3.885535214165  1.897758350588  5.826191119793  -0.291783647287  0.362018534756  -0.221989855379  0.000266523289  0.001206145612  0.001409816973
  22  Al  5.767222643759  0.044959307264  5.802028523861  -0.139562662799  -0.242205853732  -0.161497921327  -0.000630323790  0.001281725157  0.000839647740
  23  Al  5.875990967700  1.947698460372  3.830430938146  -0.348548687550  -0.055248734663  -0.021280114200  0.000819328699  0.000372133512  0.000373951031
  24  Al  3.892033331206  3.815629595285  0.128667755483  -0.284407820999  0.070926464787  -0.931630731079  0.000825127648  -0.000860343191  -0.001331322659
  25  Al  3.816741206871  5.920723695651  2.045885471789  0.491217018790  -0.403872479829  -0.760184694444  0.001839073094  0.002106828244  -0.000209723673
  26  Al  5.694785631001  3.962646891663  1.839593242656  0.577913290385  -0.741257157343  0.661774212773  0.000216513040  0.000405804419  0.000825483536
  27  Al  5.698172804724  5.813986251491  0.093061072359  0.121654406066  -0.390358710792  -1.153690389858  -0.001671141754  -0.001006527140  -0.002984883243
  28  Al  3.876103217508  3.915779750365  3.940383354494  -0.172502888479  -0.253280169200  -0.324446775788  0.000153633727  0.001028616746  0.000531508724
  29  Al  3.758014938230  5.808251770500  5.963237784925  0.508617144271  -0.117443526975  -0.629419581748  0.001045854823  0.000330039279  0.002308814648
  30  Al  5.797447505708  3.741367592942  5.781419630217  -0.226726583511  1.088366398098  -0.467938531923  -0.000452385266  0.002194802168  -0.001780703386
  31  Al  5.873973341640  5.727659291530  3.811567500479  -0.639164137932  0.342178909635  0.213165726702  -0.000435397491  0.000591080531  -0.000846157863


MDSTEP:  80
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  7.689695805951  0.000000000000  0.000000000000
  0.000000000000  7.689695805951  0.000000000000
  0.000000000000  0.000000000000  7.689695805951
VIRIAL (kbar)
  83.379715463665  -0.009533119632  2.321800634961
  -0.009533119632  81.885629026407  -0.548580636983
  2.321800634961  -0.548580636983  93.910807435592
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.577919263620  7.641776253828  7.588462672706  0.638774546289  -0.030299110007  0.206665621551  0.000461907455  -0.001263466705  -0.002833257065
  1  Al  7.648177210487  1.841554534821  1.781112725744  0.209187234215  0.486208131473  0.420486888749  0.000540067136  0.000082950754  -0.002265252641
  2  Al  1.834279932085  7.584102463373  1.876609538521  0.100017173895  1.058488027373  0.432006398588  -0.001977461844  0.001862966389  0.001040846230
  3  Al  1.826208027162  1.865182878831  7.632502084205  0.306523343583  0.025055191439  0.291947228896  -0.001713563877  -0.001765959883  -0.001444265455
  4  Al  0.055292582144  7.593199316895  3.998871845466  -0.037327264511  0.521007345635  -1.150162383809  0.002213392332  -0.000316588988  -0.001727886057
  5  Al  0.019769947990  1.910070961306  5.822018155285  -0.194585647415  0.042621434030  -0.575301337287  0.000157566531  -0.000575659156  -0.001184947396
  6  Al  1.880540060209  0.008080270129  5.756660357295  0.432292830036  -0.156922771690  0.300649595238  0.000138899345  0.000649542024  0.001305129064
  7  Al  1.896919177153  1.934808036976  3.931177364996  -0.050762215467  -0.149832353943  -0.493594169566  -0.001297043703  -0.000658824322  0.000605630430
  8  Al  7.629228871685  3.955191150785  7.537807923838  0.169738805672  -0.488212138312  0.925124692833  -0.000935077856  0.000664087546  0.000200224065
  9  Al  0.040828877019  5.741657490394  1.922848218655  -0.291157123584  -0.010208776920  -0.051046307175  0.000099869778  -0.000929392843  0.000274786573
  10  Al  1.977608720538  3.749785940396  1.942044213465  -0.439812652870  0.393648353905  0.235645431385  -0.001040722564  0.000653307361  0.002508963175
  11  Al  1.935383545601  5.809583283507  0.163799269829  -0.011072600256  -0.276762388556  -0.859435451187  -0.000398049340  0.000034924245  0.001448092045
  12  Al  7.665083858968  3.880459360145  3.750889718904  0.466339944282  -0.491457547567  0.369533626280  0.002491069052  -0.001110086869  -0.000494268098
  13  Al  0.007852643211  5.713618846901  5.668118496152  -0.089124728286  0.104310518958  0.605987058421  -0.000190857080  -0.001174712913  0.000415606034
  14  Al  1.883857031028  3.771294257553  5.792647150492  0.211636727235  0.386301202005  -0.384075695437  -0.000711587037  -0.001150127174  -0.001417605574
  15  Al  2.007100927302  5.764101567268  3.722702615004  -0.592640650844  -0.215843427123  0.956726331416  -0.001267381455  -0.001445331779  0.000652637918
  16  Al  4.003360444477  0.158872161946  0.026429751573  -0.627778659357  -0.854858956517  -0.002204811647  0.002059238075  0.000930936068  0.001621193788
  17  Al  3.705768840924  1.791993626186  1.902041880440  0.707452987720  0.638038388622  0.226865268389  0.000328841433  -0.000829932105  0.000257129450
  18  Al  5.854455533443  7.566518215887  1.788010286538  -0.248248464508  0.929740723947  0.846186665906  0.000028096719  0.000610683757  0.000523743174
  19  Al  5.791632448910  2.033163333836  7.520993259097  0.008956108809  -0.797996542671  1.311767901836  -0.000372731355  -0.001538472485  0.001246919635
  20  Al  3.875451800369  0.134507029344  3.860960262549  -0.254366239786  -0.748580100161  0.172274767559  -0.000520320441  -0.000326458924  0.000809399648
  21  Al  3.884313002835  1.897722135470  5.824873374266  -0.294935796465  0.361255139416  -0.226589079807  0.000214332748  0.001272155700  0.001371228894
  22  Al  5.764908509158  0.045574048003  5.800436640333  -0.138140160230  -0.246927636402  -0.167693679169  -0.000655850785  0.001239369942  0.000811117238
  23  Al  5.874355006660  1.947209182100  3.829293588782  -0.348353894656  -0.054098603655  -0.021963269446  0.000757884956  0.000362758162  0.000370490544
  24  Al  3.891088609656  3.813884105844  0.127915756367  -0.291982886509  0.070906958851  -0.924974571040  0.000774469799  -0.000848594102  -0.001498843682
  25  Al  3.816364323361  5.919713794013  2.045039728227  0.481750836141  -0.407112353595  -0.761854633633  0.001928107692  0.002036583249  -0.000346095968
  26  Al  5.692952164039  3.961447616106  1.839400119376  0.578164190493  -0.744212077675  0.657577384839  0.000320158095  0.000273374098  0.000944396868
  27  Al  5.695373600555  5.811456580037  0.091484365837  0.129179448705  -0.384259153700  -1.141141014450  -0.001650526432  -0.001076912317  -0.003193404976
  28  Al  3.874833130271  3.914929997512  3.939273274568  -0.174621072202  -0.258706642038  -0.324577207399  0.000122751544  0.000983941487  0.000474033951
  29  Al  3.757262367184  5.806404807373  5.962304144701  0.501841661587  -0.117397635439  -0.635135067797  0.001137378417  0.000309392852  0.002198218774
  30  Al  5.795208034772  3.741221369536  5.778510512563  -0.222190689512  1.076447042797  -0.458585809365  -0.000493033161  0.002390832941  -0.001865520078
  31  Al  5.871697494847  5.725991283932  3.809836866750  -0.634755092204  0.339659757520  0.218889626329  -0.000549821836  0.000652713992  -0.000808433476


