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


MDSTEP:  1
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.336957341345  -0.000381561009  0.000091526179
  -0.000381561009  -83.337528205938  -0.001000840632
  0.000091526179  -0.001000840632  -83.333249838334
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.097783711899  8.099355498429  8.098995829026  0.006559393438  -0.000134747762  -0.004163577923  -0.004424485285  -0.001281510676  -0.002001209656
  1  Al  8.098949512342  2.023499414492  2.023008947464  0.006149621574  0.002978260351  -0.000036654997  -0.002092921032  -0.002999028634  -0.003980232220
  2  Al  2.023739017984  8.097951425702  2.023881463966  0.002544604571  0.000068649202  0.004159394701  -0.002519860417  -0.004089637946  -0.002234824094
  3  Al  2.023656185469  2.024375027668  8.099653553723  0.001571091112  -0.001172947766  -0.007780627560  -0.002685612480  -0.001248173396  -0.000686083623
  4  Al  0.000336337686  8.098419542192  4.053209214523  0.004486654342  0.001432916776  -0.009238585611  0.000673076476  -0.003153283002  0.006421355379
  5  Al  0.000288801365  2.024971590016  6.076215903197  -0.000811615103  -0.001504285758  -0.002800984759  0.000577530172  -0.000055078323  0.002437184372
  6  Al  2.024439888309  8.099643054998  6.074529725625  -0.002952271293  0.007076912396  0.002318588173  -0.001118611185  -0.000705752821  -0.000934713085
  7  Al  2.024851389563  2.025447606255  4.051224429264  -0.001496620734  -0.004078774630  0.001048114178  -0.000295478543  0.000896723999  0.002452704486
  8  Al  8.099135220992  4.051937704886  8.097240809218  0.000518988072  -0.005503664189  0.005561924034  -0.001722007107  0.003878670006  -0.005510379820
  9  Al  0.000627404404  6.074739352292  2.024783549288  0.000854277383  0.000388465582  0.002906928325  0.001254885181  -0.000515632303  -0.000430765418
  10  Al  2.026228138038  4.047679525522  2.024658778750  -0.002809936751  0.014439660686  0.004468385698  0.002457900998  -0.004635905805  -0.000680166901
  11  Al  2.025498093770  6.075660677257  0.002251169361  -0.005072829481  0.001598679111  0.004043328095  0.000997610162  0.001327125819  0.004502700193
  12  Al  8.098841373719  4.050725775900  4.048226133056  0.007398093966  0.001227453588  0.007208397195  -0.002309086665  0.001455413790  -0.003543337206
  13  Al  0.000177022426  6.074269230784  6.073124006661  0.001077588121  0.001538145377  0.005383064967  0.000354141187  -0.001455772538  -0.003745877051
  14  Al  2.024669485306  4.049232817319  6.075825824900  -0.004486393480  -0.004439541387  -0.002927325402  -0.000659554339  -0.001531009998  0.001657016483
  15  Al  2.026986480079  6.075309375769  4.047957981300  -0.008682794398  -0.002856136594  -0.001477392308  0.003974060051  0.000624124586  -0.004080417222
  16  Al  4.052321493574  0.002483393775  8.099877083162  -0.002268411908  -0.000749775776  0.005997490632  0.004646536610  0.004966720520  -0.000237792992
  17  Al  4.047206551266  2.022828073610  2.024670162396  0.010333617325  0.003501860957  -0.001035720694  -0.005582221394  -0.004341663588  -0.000657891672
  18  Al  6.076869679113  8.097912229950  2.022514077710  -0.008572935363  -0.000529868962  0.002914064344  0.003744220197  -0.004168082958  -0.004969707936
  19  Al  6.075808520270  2.027431458463  8.096994516862  -0.007555265701  -0.007679005650  0.000566794003  0.001621993489  0.004864106557  -0.006003411093
  20  Al  4.050726688167  0.002650111085  4.050249316654  -0.002925563185  -0.008682758381  -0.001132404036  0.001456867047  0.005299445938  0.000502284328
  21  Al  4.050531097721  2.024245007768  6.075491783194  0.000870577050  0.002241368368  0.005626079524  0.001066025526  -0.001507907960  0.000989697740
  22  Al  6.075017844167  0.000164888402  6.075269237122  0.000841714359  0.007608896856  0.003236198063  0.000041391967  0.000330457033  0.000544391943
  23  Al  6.076926585312  2.025381617860  4.049277221962  -0.005827098033  -0.001394743026  0.008594759390  0.003858278070  0.000764987160  -0.001441035455
  24  Al  4.050454356828  4.049749511471  0.002707355282  0.002984602470  -0.001682015316  -0.008242006100  0.000912732734  -0.000497375173  0.005413973735
  25  Al  4.049112329185  6.077407531511  2.027282080785  0.001238098194  -0.004946095264  -0.005184845611  -0.001771478689  0.004820249230  0.004565574178
  26  Al  6.073746430789  4.051786307971  2.023333693674  -0.000398881280  0.001586945243  0.001821344823  -0.002501545697  0.003576510069  -0.003330573697
  27  Al  6.074031107264  6.076089231556  0.002193314799  0.001934125550  -0.003878498197  -0.004283880114  -0.001931984178  0.002183744762  0.004386246622
  28  Al  4.050513970294  4.051007449770  4.051840695044  -0.001474052534  -0.000903450199  -0.008941344172  0.001031561064  0.002018571029  0.003684342995
  29  Al  4.047864670841  6.075687536624  6.078191135905  0.012038916950  -0.001539109301  -0.007868056607  -0.004265829790  0.001380564037  0.006387196797
  30  Al  6.075573917837  4.047803682413  6.075436845917  -0.000779727688  0.002908322881  0.003701282149  0.001153394351  -0.004388622916  0.000879651110
  31  Al  6.077026659015  6.074090559934  4.049820375133  -0.005287567546  0.003078880782  -0.004442732400  0.004058473709  -0.001812976498  -0.000355894655


MDSTEP:  2
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.326189576999  -0.001401342027  0.000261166546
  -0.001401342027  -83.328143227062  -0.004230240917
  0.000261166546  -0.004230240917  -83.310838764514
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.095571762458  8.098714737068  8.097995038088  0.011471527784  0.000341559927  -0.009523685805  -0.004422873334  -0.001281492187  -0.002002433288
  1  Al  8.097903326712  2.022000033302  2.021018829716  0.011806062782  0.005428934299  0.000068034220  -0.002091315806  -0.002998277037  -0.003980229415
  2  Al  2.022479201519  8.095906609798  2.022764237842  0.005927978597  -0.001620830312  0.009392549088  -0.002519102975  -0.004089776710  -0.002233612560
  3  Al  2.022313449456  2.023750888540  8.099310164121  0.004091021640  -0.002942016955  -0.017267284791  -0.002685106292  -0.001248541271  -0.000688322888
  4  Al  0.000673076476  8.096842964742  4.056419479250  0.009338803156  0.001654323516  -0.017372633310  0.000674312462  -0.003153007005  0.006418976355
  5  Al  0.000577530172  2.024943983613  6.077434370180  -0.002655855804  -0.002963292067  -0.005572482903  0.000577220183  -0.000055477721  0.002436435790
  6  Al  2.023880450751  8.099290494923  6.074062472722  -0.005791607445  0.015642407948  0.003399594823  -0.001119392882  -0.000703721730  -0.000934201884
  7  Al  2.024703583393  2.025895785934  4.052450828358  -0.002326323539  -0.007945143681  0.003810460042  -0.000295820312  0.000895649069  0.002453138839
  8  Al  8.098274240637  4.053876793877  8.094485867924  -0.000704797403  -0.010674601685  0.009837817256  -0.001722023718  0.003877223680  -0.005509003094
  9  Al  0.001254885181  6.074481553505  2.024568296518  0.001820880424  0.000790587059  0.007377237218  0.001255124338  -0.000515526896  -0.000429846021
  10  Al  2.027456962934  4.045362218067  2.024318895035  -0.004353490053  0.029878832250  0.010196842932  0.002457260593  -0.004631943763  -0.000678855840
  11  Al  2.025996672098  6.076324311626  0.004502700193  -0.009632994860  0.003876025063  0.010868758319  0.000996295472  0.001327615253  0.004504033323
  12  Al  8.097687161079  4.051453537662  4.046454786666  0.014893974041  0.003182583743  0.015013411775  -0.002307093770  0.001455808045  -0.003541350592
  13  Al  0.000354141187  6.073541413270  6.071251308757  0.000964296379  0.002717406647  0.008663972288  0.000354323730  -0.001455392095  -0.003744621256
  14  Al  2.024339507596  4.048467113874  6.076654202291  -0.009170373545  -0.011280314664  -0.007814456959  -0.000660775245  -0.001532415342  0.001656056175
  15  Al  2.028973121987  6.075621310394  4.045917706650  -0.016946816804  -0.005439602927  -0.004937145743  0.003971768782  0.000623382953  -0.004080990677
  16  Al  4.054644660482  0.004966720520  8.099758454752  -0.003399393623  0.000161263382  0.012794581888  0.004646029913  0.004966667907  -0.000236112994
  17  Al  4.044415902478  2.020657398348  2.024341170264  0.020071084717  0.006362398190  -0.002096019973  -0.005579503235  -0.004340781730  -0.000658171647
  18  Al  6.078741406004  8.095828164786  2.020029354000  -0.017861269080  -0.003005144308  0.005292581126  0.003741856998  -0.004168398985  -0.004968974267
  19  Al  6.076619179296  2.029863168493  8.093992836651  -0.015428329637  -0.014847355040  -0.001489336925  0.001619938772  0.004862092717  -0.006003493567
  20  Al  4.051454990919  0.005299445938  4.050500408199  -0.006272971078  -0.017073665259  -0.002895945413  0.001456044705  0.005297143333  0.000501924196
  21  Al  4.051064149398  2.023491153976  6.075986883548  0.002356560203  0.004606555580  0.011050736725  0.001066314030  -0.001507295760  0.000991188636
  22  Al  6.075038577774  0.000330457033  6.075541577751  0.002281812035  0.017131250541  0.006619981472  0.000041671208  0.000332668784  0.000545273078
  23  Al  6.078855463878  2.025764049095  4.048557088417  -0.011796207080  -0.002289649285  0.019417802885  0.003856702559  0.000764657778  -0.001438531152
  24  Al  4.050910856606  4.049500748698  0.005413973735  0.007476864018  -0.004773400469  -0.014954768324  0.000913667982  -0.000497952283  0.005411899960
  25  Al  4.048226645183  6.079817435037  2.029564636114  0.002462293301  -0.009041583470  -0.008916875799  -0.001771147877  0.004818998741  0.004564313494
  26  Al  6.072495640110  4.053574633941  2.021668488239  -0.002252522501  0.004939276370  0.003572258716  -0.002501782731  0.003577093509  -0.003330091513
  27  Al  6.073065201629  6.077180930569  0.004386246622  0.003381259207  -0.007704685136  -0.007092478397  -0.001931508987  0.002182709233  0.004385229583
  28  Al  4.051029684936  4.052016694901  4.053682466866  -0.002844951721  -0.001875918199  -0.017774262146  0.001031174948  0.002018322556  0.003681954639
  29  Al  4.045732294081  6.076377749844  6.081384382605  0.024159281231  -0.002665479500  -0.016397698981  -0.004262593697  0.001380188149  0.006385027456
  30  Al  6.076150580159  4.045609500956  6.075876836918  -0.000916310447  0.003478209010  0.007012000146  0.001153242726  -0.004388051965  0.000880608870
  31  Al  6.079055659517  6.073184209310  4.049642229217  -0.010149484893  0.005951069432  -0.010283545453  0.004057093648  -0.001812169227  -0.000357211173


MDSTEP:  3
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.307605643065  -0.002449263457  0.000291696210
  -0.002449263457  -83.312353658217  -0.009845969772
  0.000291696210  -0.009845969772  -83.273705709462
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.093360838565  8.098074006241  8.096993395738  0.017907184655  0.000790891525  -0.012799922338  -0.004420246898  -0.001281390947  -0.002004429002
  1  Al  8.096858196536  2.020501137454  2.019028718049  0.019034481437  0.011270263503  0.000942715357  -0.002088558684  -0.002996784141  -0.003980139055
  2  Al  2.021219915010  8.093861648992  2.021647851406  0.008159471764  -0.002589586512  0.015996705608  -0.002517843567  -0.004090153118  -0.002231342779
  3  Al  2.020971079177  2.023126486398  8.098965230835  0.004729154233  -0.001258669285  -0.024146722653  -0.002684317774  -0.001248916809  -0.000692025271
  4  Al  0.001010650148  8.095266535187  4.059628190877  0.015602843897  0.002148682673  -0.027139078579  0.000676542227  -0.003152667019  0.006414997040
  5  Al  0.000866021547  2.024916112295  6.078652338987  -0.002905135169  -0.001846820045  -0.009804964494  0.000576723034  -0.000055907741  0.002435061057
  6  Al  2.023320495427  8.098939333268  6.073595523741  -0.010079859818  0.024199821045  0.002884592569  -0.001120811779  -0.000700159863  -0.000933640082
  7  Al  2.024555569251  2.026343255324  4.053677568103  -0.004027165644  -0.009465199297  0.004489689328  -0.000296388309  0.000894092597  0.002453880866
  8  Al  8.097413197274  4.055814928567  8.091731806123  0.000250743390  -0.016586615326  0.016085246437  -0.001722064310  0.003874786547  -0.005506685591
  9  Al  0.001882528742  6.074223825396  2.024353703267  0.003475791561  -0.001702645720  0.013010927529  0.001255597856  -0.000515608434  -0.000428023334
  10  Al  2.028685398631  4.043047581759  2.023979922910  -0.007208155177  0.044709181394  0.017050933453  0.002456226990  -0.004625275648  -0.000676419908
  11  Al  2.026494389242  6.076988292510  0.006755202684  -0.015398222970  0.002562137700  0.018389146830  0.000994057699  0.001328190820  0.004506648958
  12  Al  8.096534279949  4.052181583945  4.044684782465  0.022919479661  0.004932816157  0.020783101869  -0.002303713274  0.001456533555  -0.003538150409
  13  Al  0.000531346155  6.072813838690  6.069379385406  0.002592092566  0.001319940946  0.010913128017  0.000354641668  -0.001455031159  -0.003742871077
  14  Al  2.024008710062  4.047700401977  6.077481881075  -0.014955029112  -0.017363150595  -0.013027818092  -0.000662932038  -0.001534976047  0.001654192891
  15  Al  2.030958248862  6.075932758722  4.043876990622  -0.026549696855  -0.010635063996  -0.009606769189  0.003967880225  0.000621945889  -0.004082290893
  16  Al  4.056967523487  0.007450061682  8.099640970168  -0.005020213063  0.000522074274  0.021074149224  0.004645277206  0.004966728997  -0.000233085154
  17  Al  4.041627048031  2.018487291880  2.024011990750  0.028523170306  0.012482346804  -0.001941000272  -0.005575158944  -0.004339097024  -0.000658532554
  18  Al  6.080611536111  8.093743830964  2.017545103443  -0.025988434387  -0.004927842665  0.008703312460  0.003737936866  -0.004169108189  -0.004967723045
  19  Al  6.077428459041  2.032293551180  8.090991023295  -0.022510411141  -0.019876658980  -0.001097727705  0.001616547076  0.004858988415  -0.006003724849
  20  Al  4.052182732872  0.007947254418  4.050751240850  -0.011373867813  -0.024975750404  -0.006168496588  0.001454467090  0.005293384145  0.000501113841
  21  Al  4.051597411751  2.022737712008  6.076482971830  0.003078182753  0.009718839516  0.015093468322  0.001066799892  -0.001506015080  0.000993525909
  22  Al  6.075059515374  0.000497557186  6.075814510200  0.004458772690  0.026839840809  0.008996514535  0.000042273811  0.000336599768  0.000546669182
  23  Al  6.080783287871  2.026146275638  4.047838690809  -0.016809524449  -0.000155626615  0.028192101501  0.003854145227  0.000764439172  -0.001434274861
  24  Al  4.051368024810  4.049251559188  0.008119255242  0.010156684387  -0.007647345619  -0.020600247593  0.000915244408  -0.000499062689  0.005408721367
  25  Al  4.047341181308  6.082226530252  2.031846394279  0.002734442862  -0.016380093699  -0.011798954334  -0.001770683292  0.004816726062  0.004562461514
  26  Al  6.071244648058  4.055363401479  2.020003602161  -0.002399149966  0.007875275467  0.007288523671  -0.002502198587  0.003578239120  -0.003329120567
  27  Al  6.072099598277  6.078271940789  0.006578544382  0.005686813852  -0.013802017317  -0.008278271637  -0.001930698308  0.002180786550  0.004383855449
  28  Al  4.051545145242  4.053025772326  4.055522649683  -0.005184875490  -0.002840683615  -0.028429655162  0.001030457088  0.002017900895  0.003677824042
  29  Al  4.043602077144  6.077067724773  6.084576163361  0.034737651378  -0.007001242047  -0.025439911681  -0.004257328354  0.001379323951  0.006381287203
  30  Al  6.076727160563  4.043415630448  6.076317454786  -0.000265903188  0.004296625829  0.008400809591  0.001153137037  -0.004387356900  0.000881986764
  31  Al  6.081083752662  6.072278390707  4.049463163960  -0.013371317154  0.005386274095  -0.018015525983  0.004054990905  -0.001811155676  -0.000359741090


MDSTEP:  4
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.281666250657  -0.004258689660  0.000500109088
  -0.004258689660  -83.289834349082  -0.017565819734
  0.000500109088  -0.017565819734  -83.220986281640
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.091151515560  8.097433346121  8.095990609085  0.023534723488  0.001266701870  -0.018116307010  -0.004416542021  -0.001281207000  -0.002007192891
  1  Al  8.095814768028  2.019003249161  2.017038690661  0.024749885458  0.013659389325  0.000085858634  -0.002084644393  -0.002994555448  -0.003980047101
  2  Al  2.019961357952  8.091816456680  2.020532895063  0.011846635373  -0.003324210094  0.020062315987  -0.002516055035  -0.004090681807  -0.002228119128
  3  Al  2.019629131681  2.022501971731  8.098618138850  0.007003299111  -0.003341420981  -0.033295054071  -0.002683268901  -0.001249328054  -0.000697160524
  4  Al  0.001349618704  8.093690297723  4.062834476290  0.020176939852  0.002700786833  -0.035186005365  0.000679740914  -0.003152233480  0.006409425222
  5  Al  0.001154253206  2.024888075872  6.079869431237  -0.004255354108  -0.004029151386  -0.011959823618  0.000576082891  -0.000056433049  0.002433115301
  6  Al  2.022759638971  8.098590335060  6.073128832640  -0.012677595117  0.032781248056  0.005217680592  -0.001122846280  -0.000695065797  -0.000932915745
  7  Al  2.024407195084  2.026789878531  4.054904709224  -0.004484161654  -0.013785350127  0.007184906836  -0.000297149216  0.000892014014  0.002454924567
  8  Al  8.096552176327  4.057751580424  8.088979182332  -0.000536836060  -0.022284166613  0.020416115595  -0.001722089887  0.003871311527  -0.005503422396
  9  Al  0.002510483037  6.073965945072  2.024140273184  0.003868907937  -0.000826626700  0.016272878874  0.001256254467  -0.000515834549  -0.000425405383
  10  Al  2.029913189925  4.040736942419  2.023642475127  -0.008626098113  0.059672816985  0.022021650698  0.002454811419  -0.004615943973  -0.000672926847
  11  Al  2.026990729797  6.077652502447  0.009009349151  -0.019680954443  0.004924774344  0.023928703119  0.000990921646  0.001328860145  0.004510432144
  12  Al  8.095383447805  4.052910071218  4.042916636257  0.030214704903  0.006370046911  0.028664147962  -0.002298963116  0.001457544023  -0.003533729861
  13  Al  0.000708782855  6.072086382111  6.067508437680  0.002537987526  0.003216207299  0.015369778708  0.000355100294  -0.001454625630  -0.003740521404
  14  Al  2.023676575558  4.046932137827  6.078308395181  -0.019178753921  -0.023712545610  -0.016666333127  -0.000665983574  -0.001538648184  0.001651538255
  15  Al  2.032941002212  6.076243256283  4.041835415757  -0.034572429999  -0.012924927533  -0.011999497341  0.003962415951  0.000619839643  -0.004084222477
  16  Al  4.059289937688  0.009933449517  8.099525369598  -0.006010975732  0.000824547438  0.027230662605  0.004644291025  0.004966849384  -0.000228766738
  17  Al  4.038840743534  2.016318301325  2.023682637711  0.038432823278  0.015207421276  -0.003800981920  -0.005569173126  -0.004336621578  -0.000659045883
  18  Al  6.082479342870  8.091659056597  2.015061630956  -0.035682511900  -0.006623793142  0.010798771471  0.003732423528  -0.004170140897  -0.004965979572
  19  Al  6.078235726372  2.034722156908  8.087989111802  -0.030962504437  -0.027981831389  -0.002465576821  0.001611766635  0.004854709900  -0.006004043406
  20  Al  4.052909458009  0.010592830083  4.051001522041  -0.014491599695  -0.033359354664  -0.007469988694  0.001452154736  0.005288169029  0.000499894571
  21  Al  4.052130949291  2.021985138896  6.076980409457  0.004921574063  0.011627165332  0.021413006842  0.001067515065  -0.001504106763  0.000996789561
  22  Al  6.075080851586  0.000667056802  6.076088246932  0.004948191324  0.036158784498  0.013049902600  0.000043114787  0.000342231800  0.000548640115
  23  Al  6.082709609105  2.026528488267  4.047122813556  -0.023347719398  -0.001702830697  0.038762003338  0.003850555199  0.000764273027  -0.001428289212
  24  Al  4.051826101014  4.049001686010  0.010822695102  0.014497084852  -0.010551295028  -0.028412575361  0.000917448437  -0.000500689634  0.005404339656
  25  Al  4.046455961890  6.084634161099  2.034127097627  0.004406097114  -0.020364143423  -0.016785272785  -0.001770044933  0.004813441153  0.004559906104
  26  Al  6.069993441523  4.057152873062  2.018339367672  -0.003990912346  0.010600294290  0.008711002801  -0.002502769854  0.003579890823  -0.003327690221
  27  Al  6.071134503322  6.079361717119  0.008770102071  0.006589156033  -0.017090576563  -0.011913908767  -0.001929600845  0.002178024774  0.004382050283
  28  Al  4.052060142024  4.054034595796  4.057360290908  -0.006455110196  -0.003512422605  -0.036858805853  0.001029416481  0.002017332932  0.003671987300
  29  Al  4.041474965727  6.077757073796  6.087765669808  0.046961201034  -0.007828808162  -0.032710921144  -0.004250024535  0.001377998156  0.006376088561
  30  Al  6.077303717196  4.041222144055  6.076758823681  -0.001180406510  0.005431674537  0.011940701391  0.001153007738  -0.004386487197  0.000883805280
  31  Al  6.083110650422  6.071373053634  4.049282488128  -0.018555287717  0.008801595724  -0.023489036175  0.004052136689  -0.001809887291  -0.000363451568


MDSTEP:  5
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.248712131513  -0.006496157485  0.000809880217
  -0.006496157485  -83.261273848330  -0.027458739031
  0.000809880217  -0.027458739031  -83.153427208513
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.088944296543  8.096792799242  8.094986202847  0.029917495128  0.001605963953  -0.022826825888  -0.004411763432  -0.001280950185  -0.002010853178
  1  Al  8.094773552142  2.017506582006  2.015048670949  0.031080885905  0.017703425771  0.001151552530  -0.002079653162  -0.002991751635  -0.003979936477
  2  Al  2.018703859975  8.089770967185  2.019419732278  0.013919227070  -0.003693727009  0.025845990814  -0.002513751585  -0.004091309206  -0.002224014959
  3  Al  2.018287810276  2.021877158344  8.098268070311  0.007868384231  -0.003638224452  -0.041463156037  -0.002681939384  -0.001249952029  -0.000703843855
  4  Al  0.001690391063  8.092114301708  4.066037616100  0.025415089336  0.003454437771  -0.043998562946  0.000683816809  -0.003151683207  0.006402346179
  5  Al  0.001442104439  2.024859679246  6.081085454288  -0.004937308877  -0.004796733442  -0.016060005327  0.000575261074  -0.000057222077  0.002430610348
  6  Al  2.022197649148  8.098244267472  6.072662607996  -0.016528209628  0.040642227038  0.005882877582  -0.001125457257  -0.000688501791  -0.000931923363
  7  Al  2.024258420035  2.027235269338  4.056132492670  -0.006396103172  -0.016574547161  0.009008970074  -0.000298121903  0.000889299861  0.002456372288
  8  Al  8.095691107387  4.059686240094  8.086228383728  -0.000385912268  -0.027751852305  0.025584163590  -0.001722172380  0.003866838343  -0.005499310004
  9  Al  0.003138783210  6.073707990847  2.023928297884  0.004846627235  -0.001632016902  0.021182400642  0.001257033630  -0.000516054350  -0.000422056908
  10  Al  2.031140210051  4.038431637786  2.023306996063  -0.011760001652  0.074243112547  0.028587534890  0.002452988917  -0.004603971985  -0.000668402423
  11  Al  2.027485310888  6.078317152655  0.011265634827  -0.025201495492  0.005475567292  0.029292773014  0.000986909187  0.001329789928  0.004515190105
  12  Al  8.094235316833  4.053639127968  4.041151052604  0.038108542420  0.007608775833  0.035731996421  -0.002292855067  0.001458793720  -0.003527972892
  13  Al  0.000886446449  6.071359213059  6.065638864002  0.003325713668  0.003593566409  0.018260880810  0.000355624504  -0.001454016841  -0.003737514847
  14  Al  2.023342726488  4.046161753793  6.079133419330  -0.024445190917  -0.029325688270  -0.021855370186  -0.000669883523  -0.001543389764  0.001648094442
  15  Al  2.034920664813  6.076552598365  4.039792768145  -0.044031424778  -0.016753579798  -0.014186257381  0.003955388823  0.000617186406  -0.004086563465
  16  Al  4.061611814512  0.012416911066  8.099412203430  -0.007627445508  0.000799933380  0.033828533725  0.004643071760  0.004966994612  -0.000223308090
  17  Al  4.036057874904  2.014150670302  2.023352944867  0.047797182903  0.019726720745  -0.003719156223  -0.005561464226  -0.004333498491  -0.000659718178
  18  Al  6.084343959639  8.089573690068  2.012579123871  -0.043836960544  -0.007894999443  0.014798355472  0.003725314544  -0.004171438866  -0.004963691208
  19  Al  6.079040225677  2.037148261080  8.084986979889  -0.037807323428  -0.034737587118  -0.002595893797  0.001605618662  0.004849102829  -0.006004495898
  20  Al  4.053634887608  0.013235423447  4.051251135420  -0.018286458420  -0.041701995674  -0.009166961286  0.001449224401  0.005281458598  0.000498407239
  21  Al  4.052664926816  2.021233605245  6.077479761391  0.005933257573  0.015097333530  0.025749872669  0.001068485479  -0.001501717612  0.001001005889
  22  Al  6.075102630161  0.000839788986  6.076363150316  0.006821668834  0.045053469426  0.015218773627  0.000044167004  0.000349492117  0.000551167315
  23  Al  6.084633843070  2.026910548665  4.046410401597  -0.028465736141  -0.001692656651  0.048140380667  0.003845923113  0.000763969473  -0.001420520202
  24  Al  4.052285473247  4.048750869554  0.013523594898  0.017750535841  -0.013235207904  -0.035821252846  0.000920331352  -0.000502816130  0.005398597198
  25  Al  4.045571136374  6.087039971406  2.036406300384  0.005546390369  -0.025908414981  -0.020362241844  -0.001769155188  0.004809304420  0.004556585143
  26  Al  6.068741878204  4.058943292302  2.016675911940  -0.003992082143  0.012826930332  0.012223031092  -0.002503483528  0.003581985200  -0.003325818733
  27  Al  6.070169997433  6.080449965563  0.010960594665  0.008841020813  -0.021878873379  -0.015407001828  -0.001928221398  0.002174540933  0.004379607813
  28  Al  4.052574561724  4.055043105258  4.059194636983  -0.008278698698  -0.004266591739  -0.045733356681  0.001028099289  0.002016637493  0.003664603620
  29  Al  4.039352052608  6.078445722929  6.090952251922  0.057978149104  -0.010275171754  -0.041400653293  -0.004240643033  0.001376379673  0.006369463039
  30  Al  6.077880168302  4.039029143250  6.077201260066  -0.000799815643  0.007226267233  0.013361019935  0.001152830708  -0.004385355586  0.000886067236
  31  Al  6.085135889351  6.070468503416  4.049099712392  -0.022370003122  0.010700136719  -0.029252411992  0.004048477998  -0.001808143850  -0.000368166615


MDSTEP:  6
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.208747269112  -0.009373331460  0.001016917365
  -0.009373331460  -83.226217028835  -0.039379279454
  0.001016917365  -0.039379279454  -83.070846093166
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.086739752129  8.096152395935  8.093979755908  0.034143846817  0.002090832484  -0.029039334104  -0.004406036394  -0.001280619694  -0.002015489975
  1  Al  8.093735114866  2.016011497526  2.013058754184  0.035132783776  0.019156849199  -0.000641777027  -0.002073733708  -0.002988456353  -0.003979890904
  2  Al  2.017447606367  8.087725147474  2.018308880105  0.018775419177  -0.004247276734  0.028970228971  -0.002510828708  -0.004092019126  -0.002219114428
  3  Al  2.016947192298  2.021252019702  8.097914294995  0.011331252746  -0.006514051450  -0.051406332397  -0.002680222950  -0.001250859635  -0.000712146320
  4  Al  0.002033435513  8.090538614516  4.069236822469  0.028564057883  0.004029949202  -0.051289347190  0.000688642506  -0.003151014108  0.006393827508
  5  Al  0.001729514280  2.024830853795  6.082300041585  -0.007685271222  -0.008089654610  -0.017387619625  0.000574132624  -0.000058374111  0.002427620155
  6  Al  2.021634181714  8.097901833269  6.072196909277  -0.017823994792  0.049194211973  0.009303686866  -0.001128528320  -0.000680470478  -0.000930565695
  7  Al  2.024109073180  2.027679178393  4.057361081512  -0.005555038097  -0.021880351732  0.012766335776  -0.000299190327  0.000885862021  0.002458318984
  8  Al  8.094830003947  4.061618418768  8.083479872328  -0.002540806245  -0.033193630973  0.029190838634  -0.001722434026  0.003861389861  -0.005494413158
  9  Al  0.003767516667  6.073449890722  2.023718216276  0.003739092728  0.000020103807  0.023478883357  0.001257801187  -0.000516198454  -0.000418064221
  10  Al  2.032366178841  4.036132970434  2.022974072704  -0.012318389183  0.089203480868  0.032577681480  0.002450836326  -0.004589359977  -0.000662934296
  11  Al  2.027977638984  6.078982292374  0.013524539256  -0.028170401967  0.008467093320  0.033785028713  0.000982137778  0.001331036392  0.004520829215
  12  Al  8.093090592737  4.054368864938  4.039388663365  0.043835138944  0.008998111514  0.044413842619  -0.002285529361  0.001460278364  -0.003520807911
  13  Al  0.001064407360  6.070632365270  6.063770922833  0.001321000784  0.006414790175  0.023695944084  0.000356039917  -0.001453122102  -0.003733763937
  14  Al  2.023006692035  4.045388748063  6.079956489624  -0.027095915277  -0.035733319677  -0.024542480921  -0.000674491261  -0.001549205993  0.001643946508
  15  Al  2.036896391036  6.076860442689  4.037748852292  -0.050829789668  -0.017982109796  -0.015563852230  0.003946908299  0.000614081060  -0.004089223103
  16  Al  4.063933009448  0.014900444129  8.099302061508  -0.007143783760  0.000760973920  0.039247102236  0.004641751223  0.004967134156  -0.000216775181
  17  Al  4.033279279308  2.011984802833  2.023022919533  0.059202589245  0.021423100929  -0.006529817572  -0.005551898523  -0.004329819727  -0.000660634429
  18  Al  6.086204657414  8.087487617731  2.010097939748  -0.054839515181  -0.009449516575  0.016247827468  0.003716492938  -0.004172989454  -0.004960915701
  19  Al  6.079841345034  2.039571259737  8.081984615904  -0.047137763468  -0.044019469149  -0.004279031983  0.001598024633  0.004842062005  -0.006005110511
  20  Al  4.054358682411  0.015874288681  4.051499929280  -0.020083440025  -0.050345896660  -0.009807407136  0.001445794160  0.005273229583  0.000496710944
  21  Al  4.053199434770  2.020483421284  6.077981415346  0.008919777074  0.016406053049  0.032867825050  0.001069813330  -0.001498901232  0.001006246269
  22  Al  6.075125018589  0.001016548919  6.076639414247  0.006280422901  0.053983128727  0.020074472979  0.000045338322  0.000358345918  0.000554322506
  23  Al  6.086555532218  2.027292457740  4.045702293354  -0.036139567927  -0.004042675378  0.059337280117  0.003840147445  0.000763456738  -0.001410911776
  24  Al  4.052746432366  4.048498869880  0.016221292300  0.023257518197  -0.016182533827  -0.044825507273  0.000923997442  -0.000505446055  0.005391387436
  25  Al  4.044686806702  6.089443465519  2.038683682770  0.008958643088  -0.028606514264  -0.026383577230  -0.001767858449  0.004804430824  0.004552406101
  26  Al  6.067489957995  4.060734858262  2.015013548939  -0.006468685124  0.015368560791  0.013062487752  -0.002504418713  0.003584505857  -0.003323558226
  27  Al  6.069206281924  6.081536258052  0.013149709884  0.008463704277  -0.024189610647  -0.020321582230  -0.001926674368  0.002170422444  0.004376413703
  28  Al  4.053088241313  4.056051233289  4.061024894528  -0.007925345469  -0.004722199594  -0.052858686402  0.001026650660  0.002015833902  0.003655789563
  29  Al  4.037234322694  6.079133453468  6.094135132847  0.071537719117  -0.010250014526  -0.047492228866  -0.004229064408  0.001374544736  0.006361516080
  30  Al  6.078456547904  4.036836788469  6.077644890917  -0.002909207133  0.008823406894  0.017160833156  0.001152499124  -0.004383920757  0.000888795868
  31  Al  6.087159128419  6.069564909784  4.048914321512  -0.028796052218  0.015108178743  -0.033811717070  0.004043903789  -0.001805836605  -0.000373804503


MDSTEP:  7
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.161897942503  -0.012594524293  0.001506215115
  -0.012594524293  -83.184933664854  -0.053659492643
  0.001506215115  -0.053659492643  -82.972938883366
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.084538260150  8.095512179547  8.092970712872  0.042386003125  0.002247293711  -0.032955758988  -0.004399194680  -0.001280231869  -0.002021032292
  1  Al  8.092699818434  2.014518125654  2.011068780045  0.043406530212  0.024071053640  0.001157972050  -0.002066712350  -0.002984591809  -0.003979844756
  2  Al  2.016193031267  8.085678948059  2.017200617850  0.019656233042  -0.004839750437  0.035464115301  -0.002507392946  -0.004092831500  -0.002213354044
  3  Al  2.015607587326  2.020626298708  8.097555923991  0.010600645699  -0.005945477926  -0.058863422052  -0.002678262254  -0.001251973508  -0.000722004357
  4  Al  0.002379033569  8.088963287599  4.072431443608  0.035593333471  0.004304360495  -0.060803729272  0.000694378131  -0.003150269027  0.006383806468
  5  Al  0.002016237063  2.024801305135  6.083513074442  -0.006394591425  -0.008039428243  -0.022238154051  0.000572873895  -0.000059816039  0.002424077639
  6  Al  2.021069120828  8.097563796994  6.071732042301  -0.022822178308  0.056992345747  0.009077132345  -0.001132162058  -0.000670977476  -0.000928922463
  7  Al  2.023959229709  2.028121131359  4.058590811654  -0.008611552643  -0.023850787591  0.014052466788  -0.000300456810  0.000881773690  0.002460716566
  8  Al  8.093968673360  4.063547629954  8.080733970569  -0.000512224598  -0.038453121560  0.034693818978  -0.001722706965  0.003854984693  -0.005488701916
  9  Al  0.004396584397  6.073191792394  2.023510233663  0.006259078263  -0.001493066889  0.029228525321  0.001258695016  -0.000516330135  -0.000413352217
  10  Al  2.033591046377  4.033842277809  2.022644061767  -0.016672322359  0.104117397489  0.040092345620  0.002448244577  -0.004572077230  -0.000656437648
  11  Al  2.028467448666  6.079648189046  0.015786464043  -0.034802232934  0.007900240816  0.040026714524  0.000976508069  0.001332499620  0.004527427932
  12  Al  8.091949787472  4.055099406332  4.037630244692  0.053399009732  0.010406724405  0.050817527862  -0.002276836698  0.001462013142  -0.003512294295
  13  Al  0.001242486367  6.069906090958  6.061905100065  0.003530758935  0.005774290940  0.025569415058  0.000356473661  -0.001452032407  -0.003729359650
  14  Al  2.022668235227  4.044612547800  6.080777365838  -0.033671844557  -0.041199924004  -0.030477836778  -0.000679923855  -0.001556083769  0.001639027731
  15  Al  2.038867573112  6.077166679425  4.035703545042  -0.061485987970  -0.022561448462  -0.018392725502  0.003936867349  0.000610456495  -0.004092258797
  16  Al  4.066253565735  0.017384045222  8.099195428249  -0.010235336245  0.000231849691  0.046681769868  0.004640197542  0.004967222913  -0.000209093202
  17  Al  4.030505976381  2.009820850575  2.022692310438  0.066510078323  0.026700836168  -0.005628335038  -0.005540659901  -0.004325517481  -0.000661721359
  18  Al  6.088060452577  8.085400700614  2.007618208169  -0.061836145492  -0.011245982438  0.021242262887  0.003706062218  -0.004174839616  -0.004957564114
  19  Al  6.080638250309  2.041990323085  8.078981869378  -0.052722827451  -0.050127276414  -0.003841894711  0.001589097168  0.004833645354  -0.006005836516
  20  Al  4.055080681768  0.018508653029  4.051747846365  -0.025828691123  -0.058998276945  -0.012269483925  0.001441689649  0.005263454292  0.000494737286
  21  Al  4.053734740145  2.019734704013  6.078486007660  0.008391880837  0.020894031806  0.036347363759  0.001071360979  -0.001495566631  0.001012434057
  22  Al  6.075147968483  0.001198134904  6.076917472822  0.009256685402  0.062713853421  0.021482857668  0.000046727328  0.000368778544  0.000558037701
  23  Al  6.088473990515  2.027674005403  4.044999489821  -0.040075487753  -0.003104889126  0.068237440942  0.003833333874  0.000762817751  -0.001399506688
  24  Al  4.053209470690  4.048245423498  0.018914982334  0.024849313476  -0.018596765464  -0.051804836850  0.000928298158  -0.000508555300  0.005382748752
  25  Al  4.043803277926  6.091844402230  2.040958706484  0.008475631771  -0.034900847711  -0.029280659314  -0.001766299837  0.004798753312  0.004547429758
  26  Al  6.066237459491  4.062527798159  2.013352353714  -0.005164424671  0.018161463668  0.017830831323  -0.002505458705  0.003587503417  -0.003320796385
  27  Al  6.068243323065  6.082620388007  0.015337008368  0.011684927627  -0.029749928428  -0.023177700283  -0.001924873095  0.002165600288  0.004372524899
  28  Al  4.053601212383  4.057058939160  4.062850426545  -0.011370548381  -0.004895477376  -0.062253621413  0.001024925621  0.002014974089  0.003645498605
  29  Al  4.035122988201  6.079820267664  6.097313768002  0.080646495833  -0.013570761256  -0.056705600564  -0.004215459248  0.001372415176  0.006352200869
  30  Al  6.079032667426  4.034645222493  6.078090055934  -0.001302992379  0.010930533387  0.017278515846  0.001152122556  -0.004382154769  0.000891874721
  31  Al  6.089179793141  6.068662666811  4.048725907889  -0.031137217460  0.016126934884  -0.040587317399  0.004038545798  -0.001803044209  -0.000380455723


MDSTEP:  8
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.107579767416  -0.016227471087  0.001728108235
  -0.016227471087  -83.137139610740  -0.070024537292
  0.001728108235  -0.070024537292  -82.860214133812
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.082340557449  8.094872164066  8.091958723616  0.047340092975  0.003013172080  -0.037767302820  -0.004391173232  -0.001279761587  -0.002027354882
  1  Al  8.091668402516  2.013026905716  2.009078909428  0.048261301969  0.026917025169  0.000152341742  -0.002058517312  -0.002980033512  -0.003979727615
  2  Al  2.014940213421  8.083632315974  2.016095526061  0.023244450043  -0.004636762980  0.039156939186  -0.002503557655  -0.004093678693  -0.002206682975
  3  Al  2.014268930044  2.020000046194  8.097192290639  0.012677734429  -0.007601352366  -0.067053282499  -0.002676181183  -0.001253184585  -0.000733261219
  4  Al  0.002727813643  8.087388345489  4.075620628937  0.039313000541  0.005059815030  -0.069462647594  0.000701074703  -0.003149431876  0.006372160747
  5  Al  0.002302388175  2.024771037756  6.084724119224  -0.008325706569  -0.010335940120  -0.024343334572  0.000571557911  -0.000061458784  0.002419913287
  6  Al  2.020502019655  8.097230855793  6.071267986815  -0.025033471753  0.065367198847  0.011893401186  -0.001136440319  -0.000660038621  -0.000927047712
  7  Al  2.023808616370  2.028560952083  4.059821798078  -0.008935504767  -0.027788535945  0.016199776062  -0.000302025504  0.000877157172  0.002463421095
  8  Al  8.093107296982  4.065473403460  8.077991170413  -0.001847152490  -0.044122442024  0.039622114921  -0.001722917892  0.003847602497  -0.005482058125
  9  Al  0.005026211683  6.072933560586  2.023304864059  0.005406956085  -0.001011715959  0.032196733813  0.001259737951  -0.000516554061  -0.000407860843
  10  Al  2.034814423419  4.031560893204  2.022317635056  -0.018582378593  0.118248282877  0.045027147460  0.002445092832  -0.004552197898  -0.000648828027
  11  Al  2.028954147053  6.080314791994  0.018051967188  -0.038717751730  0.009529468359  0.045173159007  0.000969935436  0.001334057823  0.004535044739
  12  Al  8.090813756039  4.055830878080  4.035876369070  0.059883865661  0.011275283424  0.057877498795  -0.002266709291  0.001463951498  -0.003502577038
  13  Al  0.001420881021  6.069180332863  6.060041563184  0.002299614498  0.007350911412  0.030174317832  0.000356994892  -0.001450859023  -0.003724376200
  14  Al  2.022326768180  4.043832664293  6.081595517355  -0.037437933206  -0.047283418590  -0.033880375883  -0.000686281018  -0.001563994117  0.001633274153
  15  Al  2.040833258385  6.077470899184  4.033656593495  -0.069439047466  -0.025092626123  -0.020301525495  0.003925162745  0.000606196255  -0.004095718035
  16  Al  4.068573206990  0.019867667042  8.099092968306  -0.010139717910  0.000251727743  0.053240040563  0.004638376027  0.004967266145  -0.000200160264
  17  Al  4.027738619407  2.007659285352  2.022361198175  0.077053474435  0.029719882064  -0.007680476803  -0.005527825423  -0.004320473510  -0.000662911157
  18  Al  6.089910719633  8.083312778115  2.005140375634  -0.071608663343  -0.012354251031  0.023554187607  0.003694132348  -0.004176949460  -0.004953559344
  19  Al  6.081430442202  2.044404905091  8.075978779388  -0.060958402301  -0.058566299387  -0.003754696974  0.001578934148  0.004823928226  -0.006006515646
  20  Al  4.055800372059  0.021137742973  4.051994666567  -0.028274109260  -0.067268735298  -0.014056441217  0.001436852897  0.005252166112  0.000492383768
  21  Al  4.054270795749  2.018987854653  6.078993849403  0.010941989882  0.023228634440  0.042703435765  0.001073089413  -0.001491622096  0.001019501142
  22  Al  6.075171745917  0.001385327463  6.077197451948  0.009615446858  0.071859000017  0.025615456515  0.000048414483  0.000380809260  0.000562248257
  23  Al  6.090388866092  2.028055275491  4.044302786666  -0.046695787513  -0.004339758896  0.077812719142  0.003825576585  0.000762152205  -0.001386449909
  24  Al  4.053674730524  4.047990314580  0.021604041053  0.029652532755  -0.021842616599  -0.059652144757  0.000933170584  -0.000512170551  0.005372784579
  25  Al  4.042920506865  6.094242218830  2.043231112528  0.011561028717  -0.038723539205  -0.034851552488  -0.001764508574  0.004792171345  0.004541696384
  26  Al  6.064984499291  4.064322361678  2.011692752553  -0.006254849626  0.020229022686  0.019816746498  -0.002506479580  0.003590935499  -0.003317430719
  27  Al  6.067281408829  6.083701858340  0.017522234783  0.012283332996  -0.033070706694  -0.026956452315  -0.001922730350  0.002159984168  0.004368042942
  28  Al  4.054113166934  4.058066207378  4.064670393133  -0.011657691647  -0.005450017168  -0.070535362195  0.001022866912  0.002014049209  0.003633627365
  29  Al  4.033018863446  6.080505868644  6.100487333716  0.092894287785  -0.014606539249  -0.063107673002  -0.004199944827  0.001369896145  0.006341489648
  30  Al  6.079608670461  4.032454633700  6.078536765638  -0.002336542555  0.012622428855  0.019765106246  0.001151797185  -0.004380049151  0.000895186394
  31  Al  6.091197674217  6.067761865575  4.048533865789  -0.036184398899  0.019423404631  -0.046577853727  0.004032527294  -0.001799866034  -0.000388248227


MDSTEP:  9
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -83.047125724327  -0.020301298488  0.002356357293
  -0.020301298488  -83.083088106864  -0.088452460745
  0.002356357293  -0.088452460745  -82.732197872935
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.080147086918  8.094232417960  8.090943357990  0.055090889543  0.003343630161  -0.041906840157  -0.004382015976  -0.001279193294  -0.002034477693
  1  Al  8.090641301123  2.011538092142  2.007089052430  0.055831478735  0.031287857630  0.001551009714  -0.002049211492  -0.002974830037  -0.003979575337
  2  Al  2.013689473612  8.081585269366  2.014993934874  0.024679397594  -0.004788555450  0.044964602578  -0.002499273298  -0.004094521310  -0.002199162570
  3  Al  2.012931406142  2.019373114123  8.096822662771  0.012522236371  -0.007563452327  -0.074551682381  -0.002673928324  -0.001254540308  -0.000745920601
  4  Al  0.003080108272  8.085813855723  4.078803604355  0.045664513161  0.005703418447  -0.079044215907  0.000708671631  -0.003148469651  0.006358884341
  5  Al  0.002587794974  2.024739846351  6.085932987730  -0.007677303291  -0.010898839994  -0.028737584535  0.000570127253  -0.000063357158  0.002415167892
  6  Al  2.019932680509  8.096903758373  6.070804994589  -0.029367279909  0.073341582051  0.012577029536  -0.001141303707  -0.000647638156  -0.000924860073
  7  Al  2.023657204204  2.028998288531  4.061054232749  -0.011516052527  -0.030191297806  0.017691126306  -0.000303853859  0.000871973816  0.002466450917
  8  Al  8.092245755469  4.067395232451  8.075251912445  -0.000525974831  -0.049323594348  0.045145195963  -0.001723130048  0.003839248488  -0.005474479988
  9  Al  0.005656322348  6.072675238333  2.023102372820  0.007255339212  -0.002132776916  0.037086429903  0.001260869952  -0.000516835177  -0.000401666978
  10  Al  2.036036139209  4.029290079911  2.021995233740  -0.022540252253  0.133001519062  0.051911817501  0.002441416499  -0.004529736347  -0.000640161753
  11  Al  2.029437384101  6.080982246869  0.020321508782  -0.044700236080  0.009328142392  0.051212184749  0.000962477928  0.001335743680  0.004543661520
  12  Al  8.089683078181  4.056563357830  4.034127667654  0.068853926245  0.011995274905  0.064287814645  -0.002255200225  0.001466031869  -0.003491655547
  13  Al  0.001599481259  6.068455231935  6.058180723865  0.003495982236  0.007324427070  0.032876317022  0.000357513015  -0.001449547058  -0.003718739519
  14  Al  2.021981954209  4.043048553683  6.082410639991  -0.043082449127  -0.053089569915  -0.039330221690  -0.000693479482  -0.001572967390  0.001626729179
  15  Al  2.042792735857  6.077772875680  4.031607827006  -0.079329966188  -0.029128949716  -0.022822223015  0.003911862902  0.000601348885  -0.004099573267
  16  Al  4.070891941762  0.022351311367  8.098995267985  -0.012603595195  -0.000255979879  0.060624252768  0.004636342791  0.004967265765  -0.000189980878
  17  Al  4.024978150958  2.005500377065  2.022029399282  0.084862676323  0.034510540741  -0.007468526782  -0.005513350236  -0.004314731356  -0.000664265467
  18  Al  6.091754584925  8.081223751154  2.002664648826  -0.079171782927  -0.013831012208  0.028197684653  0.003680652685  -0.004179290404  -0.004948932764
  19  Al  6.082217184457  2.046814251312  8.072975353732  -0.066943416366  -0.065377510404  -0.003221504296  0.001567499817  0.004812847739  -0.006007139313
  20  Al  4.056517534665  0.023760819141  4.052240230132  -0.033441299657  -0.075924296442  -0.016500451322  0.001431335584  0.005239364758  0.000489652003
  21  Al  4.054807829559  2.018243081917  6.079505508802  0.011012733583  0.027433695879  0.046766542865  0.001075052150  -0.001487092920  0.001027499693
  22  Al  6.075196382966  0.001578944164  6.077479721078  0.012039334918  0.080694528559  0.027549189976  0.000050350405  0.000394447436  0.000567001138
  23  Al  6.092299567100  2.028436157608  4.043613039913  -0.051034807985  -0.003842144212  0.086858670574  0.003816839540  0.000761420749  -0.001371728405
  24  Al  4.054142641274  4.047733252947  0.024287766912  0.031779973621  -0.024468092877  -0.066895666532  0.000938662606  -0.000516310695  0.005361471295
  25  Al  4.042038769352  6.096636573575  2.045500402869  0.011810089213  -0.044322289791  -0.038607141689  -0.001762419213  0.004784747107  0.004535129230
  26  Al  6.063730979911  4.066118733658  2.010034922995  -0.005321616816  0.022623858751  0.024146492451  -0.002507514507  0.003594766515  -0.003313500437
  27  Al  6.066320592715  6.084780372176  0.019705051310  0.014902974275  -0.038188598293  -0.030229710213  -0.001920299913  0.002153613638  0.004362930540
  28  Al  4.054624079296  4.059072988369  4.066484053911  -0.014452354005  -0.005627911928  -0.079381594885  0.001020532693  0.002013058850  0.003620224897
  29  Al  4.030923043373  6.081190163810  6.103655257650  0.102427173942  -0.017492334610  -0.071510376213  -0.004182483229  0.001367026529  0.006329454892
  30  Al  6.080184464610  4.030265173342  6.078985242328  -0.001341415730  0.014661425111  0.019972111208  0.001151468378  -0.004377609994  0.000898738872
  31  Al  6.093212320435  6.066862800777  4.048337659662  -0.039178916084  0.021197306358  -0.053210732798  0.004025789868  -0.001796234571  -0.000397169255


MDSTEP:  10
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.978972788563  -0.024658576437  0.002856919682
  -0.024658576437  -83.022843371132  -0.108781528310
  0.002856919682  -0.108781528310  -82.589794657764
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.077958541473  8.093592970772  8.089924245923  0.059074035918  0.005177869748  -0.047245238285  -0.004408842515  -0.001289260837  -0.002059749028
  1  Al  8.089619191024  2.010052075679  2.005099334091  0.059282414384  0.033587738867  -0.000026603842  -0.002056191715  -0.002994180318  -0.004013148158
  2  Al  2.012440940123  8.079537794664  2.013896363491  0.030403356982  -0.003287354801  0.048237293115  -0.002515478114  -0.004129933349  -0.002209388512
  3  Al  2.011595001720  2.018745505886  8.096446370037  0.016636786498  -0.009735120665  -0.083138561785  -0.002693949806  -0.001266726870  -0.000766455969
  4  Al  0.003436485275  8.084239875838  4.081979513277  0.048308689807  0.007358946641  -0.087188574919  0.000723146961  -0.003173962105  0.006397762312
  5  Al  0.002872515428  2.024707680598  6.087139287116  -0.010640238147  -0.013918827058  -0.030494955510  0.000573305250  -0.000066131320  0.002430286135
  6  Al  2.019360715948  8.096583217638  6.070343126741  -0.029307536696  0.082648708141  0.015871686347  -0.001156261402  -0.000639060631  -0.000930129556
  7  Al  2.023504762512  2.029432925899  4.062288248995  -0.009413864717  -0.034724416512  0.020484906530  -0.000308314719  0.000873507570  0.002490785593
  8  Al  8.091384166934  4.069312651948  8.072516690425  -0.003119131052  -0.055947838376  0.049563998582  -0.001738054998  0.003862279151  -0.005512314653
  9  Al  0.006287081635  6.072416725410  2.022903197082  0.005121541910  -0.001073104536  0.039643500226  0.001272666408  -0.000521502224  -0.000398151718
  10  Al  2.037255839917  4.027031156857  2.021677473303  -0.022330999734  0.145935950291  0.056462407860  0.002458051854  -0.004542958872  -0.000635813798
  11  Al  2.029916624981  6.081650535674  0.022595628708  -0.046309881613  0.011328082420  0.055550004840  0.000962425743  0.001348920815  0.004591775359
  12  Al  8.088558555814  4.057296909949  4.032384713523  0.074072788591  0.011837689038  0.071957982551  -0.002261417833  0.001480599056  -0.003508949271
  13  Al  0.001778394035  6.067730785805  6.056322823665  0.000750003985  0.009397800684  0.037744910020  0.000360924246  -0.001460318288  -0.003743873315
  14  Al  2.021633288698  4.042259696904  6.083222246534  -0.044390082927  -0.060137443666  -0.042394172314  -0.000707240043  -0.001596499868  0.001633140914
  15  Al  2.044745121287  6.078072248070  4.029557020227  -0.085129609751  -0.030956243337  -0.023835143575  0.003930172469  0.000601025727  -0.004138506472
  16  Al  4.073209549782  0.024834932807  8.098902987428  -0.011410084222  0.000373072025  0.066604227891  0.004673451414  0.005009353123  -0.000180119688
  17  Al  4.022225269171  2.003344553996  2.021696932708  0.096573527118  0.036987541828  -0.009686193809  -0.005543695154  -0.004344834636  -0.000671438949
  18  Al  6.093591372317  8.079133487711  2.000191442870  -0.091201500246  -0.013671850776  0.030546529130  0.003696470552  -0.004217171974  -0.004985558093
  19  Al  6.082997942019  2.049217752830  8.069971640075  -0.077013808536  -0.074423317931  -0.003165240599  0.001567799133  0.004841012531  -0.006058600501
  20  Al  4.057231707643  0.026377107732  4.052484318570  -0.034824433218  -0.083279068156  -0.017851836303  0.001437305562  0.005269393232  0.000490702672
  21  Al  4.055345847899  2.017500761733  6.080021349096  0.014576261874  0.029460466293  0.053326221909  0.001086465736  -0.001494560431  0.001045227475
  22  Al  6.075222096322  0.001779774899  6.077764453086  0.010178531698  0.090540562340  0.031905506430  0.000052780000  0.000413226696  0.000577164332
  23  Al  6.094205705632  2.028816696239  4.042931058261  -0.059965875541  -0.005610342877  0.096685601350  0.003839163850  0.000767018401  -0.001366800345
  24  Al  4.054613393130  4.047474003885  0.026965512348  0.037690171974  -0.028697938856  -0.075634857001  0.000952877035  -0.000525477536  0.005394037277
  25  Al  4.041158087652  6.099026965938  2.047766241758  0.016367320942  -0.047380012935  -0.044630768823  -0.001774807966  0.004817010262  0.004566041038
  26  Al  6.062476984783  4.067917128194  2.008379252116  -0.008379244784  0.023465322255  0.026023594149  -0.002529990428  0.003629372369  -0.003337045332
  27  Al  6.065361108916  6.085855471978  0.021885165323  0.013105486794  -0.041132195296  -0.035055032748  -0.001934041277  0.002164705215  0.004394002280
  28  Al  4.055133699627  4.060079266228  4.068290618031  -0.013452264314  -0.007020344520  -0.086821916631  0.001026661655  0.002028970781  0.003635906824
  29  Al  4.028836380217  6.081872895173  6.106816788608  0.115830834896  -0.018016435286  -0.077221518245  -0.004198234889  0.001375405013  0.006369661392
  30  Al  6.080760138838  4.028077023706  6.079435504510  -0.004606781951  0.015825558906  0.022355546515  0.001160685987  -0.004411943328  0.000910168041
  31  Al  6.095223464085  6.065965631004  4.048136696534  -0.046476415924  0.025086546106  -0.058573303057  0.004052169208  -0.001807277353  -0.000410611668


MDSTEP:  11
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.904056319074  -0.029754396472  0.003503053504
  -0.029754396472  -82.955477865843  -0.131766029612
  0.003503053504  -0.131766029612  -82.430584389599
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.075756760803  8.092948571803  8.088892259564  0.066133087810  0.005057827938  -0.051922310385  -0.004397649089  -0.001288345773  -0.002068614535
  1  Al  8.088593745069  2.008556486880  2.003092758823  0.065977497139  0.037829200560  0.000719756162  -0.002044993569  -0.002987795695  -0.004013086190
  2  Al  2.011184560085  8.077472681047  2.012793825424  0.031526975991  -0.003695938386  0.053344456010  -0.002509941587  -0.004130557650  -0.002200307177
  3  Al  2.010248770475  2.018111707295  8.096059425789  0.016012796317  -0.010051431531  -0.091116644466  -0.002691030956  -0.001268495773  -0.000782034259
  4  Al  0.003800218136  8.082653223728  4.085174497135  0.053835335115  0.007198116416  -0.096128540395  0.000732278563  -0.003172660714  0.006381373894
  5  Al  0.003158692438  2.024673992772  6.088353067070  -0.010564313700  -0.015003556359  -0.034415205996  0.000571409579  -0.000068716961  0.002424483214
  6  Al  2.018781275211  8.096267381689  6.069878771422  -0.033730570214  0.089959617627  0.017243008712  -0.001161896964  -0.000623629571  -0.000927169126
  7  Al  2.023350184356  2.029868127515  4.063534557459  -0.012179996002  -0.037182506244  0.022645458682  -0.000310245194  0.000867079142  0.002494641416
  8  Al  8.090515000011  4.071241290675  8.069762748591  -0.002473881810  -0.060616676341  0.054529329518  -0.001738555009  0.003851858367  -0.005503008784
  9  Al  0.006923643770  6.072155926330  2.022705893273  0.005893357138  -0.001902313959  0.044118126485  0.001273651132  -0.000521768225  -0.000390663489
  10  Al  2.038483867657  4.024766200706  2.021362090253  -0.026803435754  0.161045203422  0.063170280533  0.002453659271  -0.004515514978  -0.000625118722
  11  Al  2.030395767817  6.082325502443  0.024893999453  -0.052362054238  0.011305728827  0.060607271443  0.000953604543  0.001350944261  0.004602159736
  12  Al  8.087431157925  4.058037738617  4.030633455383  0.082494845277  0.013149544358  0.078883530201  -0.002247420799  0.001482832896  -0.003495464148
  13  Al  0.001958889683  6.067001046739  6.054452574191  0.000967245928  0.009657928560  0.040707740910  0.000361077767  -0.001458614720  -0.003736859704
  14  Al  2.021277684456  4.041458758848  6.084036921986  -0.050283083553  -0.065250121287  -0.047514289386  -0.000715703756  -0.001607709426  0.001625103162
  15  Al  2.046706402259  6.078371377200  4.027486701569  -0.095563886518  -0.034861267974  -0.025282936496  0.003914018600  0.000595141689  -0.004142897593
  16  Al  4.075545765462  0.027339626044  8.098815904769  -0.012876254753  -0.001036212683  0.073243895450  0.004671280233  0.005009293839  -0.000167617367
  17  Al  4.019457738396  2.001173790008  2.021360780264  0.105103532965  0.041369016670  -0.010005381064  -0.005525665370  -0.004337829616  -0.000673199362
  18  Al  6.095435530919  8.077024290597  1.997700029242  -0.098620057892  -0.015470830594  0.034844310165  0.003679500641  -0.004219777308  -0.004979712199
  19  Al  6.083778399096  2.051634932400  8.066942198339  -0.082666197965  -0.082028133879  -0.002654659140  0.001553523855  0.004827025884  -0.006059120796
  20  Al  4.057948803785  0.029008081803  4.052728871935  -0.039172812148  -0.092559533813  -0.019678928526  0.001430690262  0.005253673388  0.000487347448
  21  Al  4.055889732321  2.016754798390  6.080546346497  0.015427287929  0.033355380936  0.057933818407  0.001089148032  -0.001488944739  0.001055174043
  22  Al  6.075248941299  0.001990435377  6.078054461416  0.012689152940  0.098607763367  0.034432486513  0.000054824355  0.000430136420  0.000583094901
  23  Al  6.096122607104  2.029199954660  4.042251979901  -0.064102528044  -0.005535124143  0.106068724003  0.003828072224  0.000766022004  -0.001348674254
  24  Al  4.055091516385  4.047209982329  0.029659150136  0.040512094602  -0.030868791215  -0.083832985458  0.000959868262  -0.000530802759  0.005379780967
  25  Al  4.040271415283  6.101433353199  2.050047267298  0.017807837697  -0.052466608235  -0.049085554443  -0.001771752731  0.004808084046  0.004557662866
  26  Al  6.061211615020  4.069732863270  2.006711892695  -0.006776657421  0.026315464229  0.030248599132  -0.002531345354  0.003633822735  -0.003332014638
  27  Al  6.064394674088  6.086935985991  0.024080599515  0.015773826208  -0.045708873709  -0.039304606077  -0.001931459487  0.002156941686  0.004387354582
  28  Al  4.055646429143  4.061093437811  4.070104690534  -0.015621854469  -0.006408372714  -0.094857584704  0.001024062449  0.002027770263  0.003619664807
  29  Al  4.026742440369  6.082559792351  6.109998167529  0.125956529345  -0.020377483780  -0.084742108544  -0.004176619272  0.001371972624  0.006355181960
  30  Al  6.081340275910  4.025871759439  6.079891587816  -0.003334512831  0.018883950800  0.022481399570  0.001159976041  -0.004408840322  0.000914176432
  31  Al  6.097247471210  6.065063113686  4.047928772495  -0.048979305091  0.027289033134  -0.064680456817  0.004043635536  -0.001802595014  -0.000421630465


MDSTEP:  12
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.821927728335  -0.034881170049  0.004131875687
  -0.034881170049  -82.881861636239  -0.156285707206
  0.004131875687  -0.156285707206  -82.256942275092
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.073560892384  8.092304624999  8.087855631387  0.071676355035  0.005842389015  -0.057421258475  -0.004385329024  -0.001287371302  -0.002078389772
  1  Al  8.087574197455  2.007064279984  2.001086247901  0.070960643457  0.040956596622  0.000175868633  -0.002032751398  -0.002980752302  -0.004013006122
  2  Al  2.009930998536  8.075407237014  2.011696056314  0.035352355762  -0.002908929063  0.057408741481  -0.002503962622  -0.004131148120  -0.002190405921
  3  Al  2.008903970763  2.017477010113  8.095664335778  0.018148924706  -0.011441460435  -0.099728400579  -0.002687976923  -0.001270417222  -0.000799095669
  4  Al  0.004168763838  8.081067215124  4.088360887171  0.057817949418  0.007872475398  -0.104342273155  0.000742260286  -0.003171313414  0.006363451947
  5  Al  0.003443925007  2.024638963638  6.089563770330  -0.012051331577  -0.017257873292  -0.037195901341  0.000569387756  -0.000071601109  0.002418081232
  6  Al  2.018198818984  8.095959588066  6.069415957615  -0.035358005280  0.098049493884  0.019842261644  -0.001168073433  -0.000606821692  -0.000923853729
  7  Al  2.023194517317  2.030300005042  4.064782890411  -0.012044408869  -0.040809391246  0.025600354080  -0.000312410839  0.000860106723  0.002498954557
  8  Al  8.089645611925  4.073164510315  8.067013681640  -0.003636749216  -0.066099127304  0.058787625927  -0.001739101295  0.003840530065  -0.005492878330
  9  Al  0.007560732767  6.071894957185  2.022512533592  0.004991650663  -0.001669550013  0.047410222391  0.001274624244  -0.000522087547  -0.000382480921
  10  Al  2.039709499188  4.022515641879  2.021052354581  -0.028655024254  0.175044641270  0.068721851879  0.002448701325  -0.004485468788  -0.000613327661
  11  Al  2.030870229523  6.083001479935  0.027197788445  -0.055678202235  0.012294669665  0.064538324823  0.000943945822  0.001353054120  0.004613347663
  12  Al  8.086311135016  4.058779742845  4.028889249375  0.089208620938  0.013602670131  0.086625221270  -0.002232070632  0.001485224525  -0.003480667785
  13  Al  0.002139471802  6.066272171085  6.052585963960  -0.000608668185  0.010953429429  0.044791582828  0.000361109823  -0.001456772079  -0.003729216126
  14  Al  2.020917584942  4.040651987478  6.084847349696  -0.053185487599  -0.071143949580  -0.051581167374  -0.000724953772  -0.001619902958  0.001616244100
  15  Al  2.048659139887  6.078667389759  4.025414122634  -0.103177318338  -0.037546922304  -0.025678639777  0.003896251279  0.000588668449  -0.004147453521
  16  Al  4.077880830014  0.029844226645  8.098735370061  -0.012918362233  -0.001719124381  0.079111095178  0.004668974212  0.005009047513  -0.000153996940
  17  Al  4.016699603801  1.999006724380  2.021023733346  0.115325021632  0.044697213666  -0.011360081140  -0.005505959216  -0.004330135357  -0.000675109419
  18  Al  6.097270872958  8.074913710403  1.995211730671  -0.108802894449  -0.016267675927  0.038283682230  0.003660957178  -0.004222614708  -0.004973174609
  19  Al  6.084551465874  2.054044778714  8.063912519279  -0.090860140008  -0.090593677674  -0.002525615529  0.001538010725  0.004811593618  -0.006059583909
  20  Al  4.058662397905  0.031630781119  4.052971666018  -0.042017765630  -0.101079081541  -0.020825843370  0.001423431883  0.005236362235  0.000483726351
  21  Al  4.056434995931  2.016011816994  6.081076523139  0.017661426086  0.036362626091  0.063598361898  0.001092106139  -0.001482712000  0.001066038932
  22  Al  6.075276920677  0.002209911319  6.078347547987  0.012581284790  0.107383703059  0.037914029108  0.000057083514  0.000448551909  0.000589562627
  23  Al  6.098033777857  2.029582718244  4.041582384008  -0.071112490533  -0.006421906673  0.116094258215  0.003815984099  0.000764953054  -0.001328813043
  24  Al  4.055573261392  4.046943201126  0.032345293315  0.045001085371  -0.033968765624  -0.093029268304  0.000967513078  -0.000536599189  0.005363969609
  25  Al  4.039386334921  6.103835049984  2.052323904624  0.021145778682  -0.056290830447  -0.054598630830  -0.001768270306  0.004798361209  0.004548393574
  26  Al  6.059945639429  4.071550950929  2.005047237478  -0.007798612526  0.028098605492  0.033350440695  -0.002532648373  0.003638687314  -0.003326328930
  27  Al  6.063429649429  6.088012413664  0.026272519905  0.015673398538  -0.049459861521  -0.044597273890  -0.001928648128  0.002148433670  0.004379853814
  28  Al  4.056157762077  4.062107036491  4.071910282838  -0.016028822580  -0.006578423562  -0.101805018290  0.001021232902  0.002026609253  0.003602083312
  29  Al  4.024659760944  6.083244867797  6.113171970568  0.137574498964  -0.021788277554  -0.091049653562  -0.004153059788  0.001368203035  0.006339466303
  30  Al  6.081920114879  4.023668183383  6.080349680942  -0.004838002198  0.021324897727  0.023430086368  0.001159245424  -0.004405245680  0.000918280886
  31  Al  6.099267099621  6.064163035989  4.047715066069  -0.054346708329  0.030561416689  -0.069944983031  0.004034398264  -0.001797423226  -0.000433665882


MDSTEP:  13
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.733758728396  -0.040546859801  0.004931203009
  -0.040546859801  -82.801618051041  -0.183269019280
  0.004931203009  -0.183269019280  -82.067916746699
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.071371431780  8.091661200501  8.086813869792  0.080401803436  0.005894413916  -0.060885675204  -0.004371733346  -0.001286322040  -0.002088966326
  1  Al  8.086560993671  2.005575734578  1.999079752701  0.079235980400  0.045322022522  0.001411532640  -0.002019323928  -0.002973039055  -0.004012864210
  2  Al  2.008680597463  8.073341532926  2.010603419504  0.035482052379  -0.002584872703  0.062800333953  -0.002497630077  -0.004131639262  -0.002179659316
  3  Al  2.007560793552  2.016841290073  8.095260330119  0.016437735961  -0.011722648297  -0.106075104969  -0.002684884901  -0.001272488077  -0.000817494354
  4  Al  0.004542478422  8.079481910314  4.091537949082  0.064725965165  0.008045974130  -0.114728455636  0.000753215624  -0.003169890316  0.006343867182
  5  Al  0.003728080195  2.024602391662  6.090771148302  -0.010355439466  -0.018337988949  -0.041540425764  0.000567384607  -0.000074783354  0.002411042261
  6  Al  2.017613201778  8.095660559997  6.068954917693  -0.040565297779  0.105349333975  0.021033894959  -0.001174860921  -0.000588637983  -0.000920199430
  7  Al  2.023037773517  2.030728234238  4.066033512016  -0.015772699905  -0.043167015252  0.026369283723  -0.000314897668  0.000852599293  0.002503600605
  8  Al  8.088775898716  4.075081820740  8.064269870261  -0.001415755947  -0.070851557668  0.065085994897  -0.001739552986  0.003828286772  -0.005481804118
  9  Al  0.008198268014  6.071633838784  2.022323412352  0.007123345629  -0.002649634849  0.052022033462  0.001275707316  -0.000522473679  -0.000373591749
  10  Al  2.040932568982  4.020280731918  2.020748762593  -0.034371580715  0.189620448041  0.075778136693  0.002443066792  -0.004452867991  -0.000600409466
  11  Al  2.031339713639  6.083678556563  0.029507347116  -0.062737130744  0.012035522211  0.070458892371  0.000933359576  0.001355229222  0.004625416317
  12  Al  8.085199087293  4.059522963142  4.027152787599  0.099204523301  0.014295164806  0.092124831558  -0.002215226633  0.001487718571  -0.003464687659
  13  Al  0.002319999506  6.065544274660  6.050723358065  0.000922654019  0.011211858791  0.047564159734  0.000361137893  -0.001454790518  -0.003720959590
  14  Al  2.020552730683  4.039838855890  6.085653166086  -0.059870650751  -0.076309658388  -0.057169333063  -0.000735060909  -0.001633085204  0.001606521883
  15  Al  2.050602653538  6.078960045650  4.023339248048  -0.114428963472  -0.041481807268  -0.027870631122  0.003876797434  0.000581603338  -0.004152240788
  16  Al  4.080214739674  0.032348673558  8.098661907829  -0.015908330260  -0.003073683634  0.086979710026  0.004666397127  0.005008619040  -0.000139148542
  17  Al  4.013951779180  1.996843654651  2.020685670845  0.121974185419  0.049192169783  -0.011313605501  -0.005484744838  -0.004321741714  -0.000677136430
  18  Al  6.099096488097  8.072801675889  1.992726854633  -0.115056811549  -0.017674369620  0.043267132809  0.003640944282  -0.004225649102  -0.004965884025
  19  Al  6.085316409821  2.056446526018  8.060882614431  -0.095284669121  -0.098318239797  -0.000340749979  0.001521369513  0.004794705029  -0.006059840160
  20  Al  4.059372235667  0.034244444038  4.053212598286  -0.048043426324  -0.110230517112  -0.023838494767  0.001415380477  0.005217471309  0.000479733391
  21  Al  4.056981838460  2.015272086390  6.081612385429  0.016861837211  0.040365029053  0.067712465740  0.001095192494  -0.001475852603  0.001077778026
  22  Al  6.075306024813  0.002438987286  6.078644024044  0.016061030709  0.115414643754  0.039939516356  0.000059644116  0.000468469921  0.000596522678
  23  Al  6.099938591203  2.029964907714  4.040923166858  -0.074082962726  -0.006241036779  0.124032766193  0.003803003730  0.000763820996  -0.001307345860
  24  Al  4.056059029463  4.046673383140  0.035023119745  0.046243169466  -0.036358972458  -0.100054677117  0.000975670249  -0.000542886439  0.005346708043
  25  Al  4.038503144977  6.106231714408  2.054595660872  0.021253746065  -0.061329873713  -0.058879377210  -0.001764479819  0.004787846003  0.004538248722
  26  Al  6.058678966647  4.073371550583  2.003385563765  -0.004965920178  0.030468940383  0.038214857746  -0.002533789513  0.003643923210  -0.003319931044
  27  Al  6.062466025961  6.089084419661  0.028460453329  0.019292328784  -0.054155011210  -0.047972763628  -0.001925522217  0.002139170575  0.004371578119
  28  Al  4.056667662045  4.063120047064  4.073706773846  -0.019701528311  -0.006033115117  -0.110817264849  0.001018038634  0.002025481790  0.003583075033
  29  Al  4.022589380581  6.083927995386  6.116337633832  0.145781273696  -0.024177079808  -0.098739824630  -0.004127727986  0.001364093765  0.006322499260
  30  Al  6.082499521334  4.021466513758  6.080809868702  -0.002580694145  0.024523603282  0.022673722273  0.001158582198  -0.004401146857  0.000922402533
  31  Al  6.101281869475  6.063265690461  4.047495106613  -0.055859770248  0.032957957974  -0.077242881695  0.004024545885  -0.001791744639  -0.000446824372


MDSTEP:  14
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.637594923242  -0.046369118964  0.005852432117
  -0.046369118964  -82.715202990309  -0.211535893393
  0.005852432117  -0.211535893393  -81.865029440705
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.069189159038  8.091018302959  8.085766665061  0.084516009707  0.007794895949  -0.065641653912  -0.004356989812  -0.001285098226  -0.002100277779
  1  Al  8.085554873527  2.004091240928  1.997073383691  0.082558542770  0.048971422700  0.000392118362  -0.002004859614  -0.002964609289  -0.004012702964
  2  Al  2.007433368459  8.071275597752  2.009516396998  0.041093246054  -0.000328848356  0.066447647824  -0.002490784301  -0.004131899747  -0.002168104639
  3  Al  2.006219085863  2.016204522036  8.094846841423  0.020289083700  -0.012601386577  -0.113804986397  -0.002681601549  -0.001274662628  -0.000837151476
  4  Al  0.004921979462  8.077897324809  4.094704754353  0.067257458398  0.009824098547  -0.123640061186  0.000765014847  -0.003168292744  0.006322557208
  5  Al  0.004011309614  2.024564180284  6.091974812591  -0.013130837264  -0.020329740149  -0.043958563791  0.000565284951  -0.000078240221  0.002403398713
  6  Al  2.017023958063  8.095370950083  6.068495758185  -0.040123034758  0.114401929702  0.024199370041  -0.001182074400  -0.000568992378  -0.000916155609
  7  Al  2.022879619649  2.031152604334  4.067286491016  -0.013645008008  -0.046376258440  0.028582454297  -0.000317527590  0.000844594188  0.002508513251
  8  Al  8.087906058939  4.076992797088  8.061531877523  -0.004066280757  -0.077327366744  0.069925685476  -0.001740043076  0.003815039683  -0.005469734171
  9  Al  0.008836440082  6.071372483507  2.022138941844  0.004372559285  -0.002771943927  0.054803796438  0.001276735041  -0.000522958364  -0.000364041596
  10  Al  2.042152565980  4.018062773888  2.020451945115  -0.034343600117  0.202064477451  0.080963175843  0.002436923704  -0.004417851641  -0.000586396905
  11  Al  2.031803589099  6.084356709157  0.031823204761  -0.063904930472  0.012342742264  0.074468753050  0.000922037867  0.001357408621  0.004638372744
  12  Al  8.084095908383  4.060267461417  4.025424561716  0.104291657349  0.013527944770  0.099217788952  -0.002197034221  0.001490205937  -0.003447581766
  13  Al  0.002500609695  6.064817380567  6.048865004371  -0.002408889189  0.011843908170  0.052070434936  0.000361005025  -0.001452729349  -0.003712052328
  14  Al  2.020182524032  4.039018902274  6.086453871579  -0.060710007064  -0.082999894646  -0.060733449587  -0.000745840733  -0.001647327364  0.001595981459
  15  Al  2.052535937322  6.079248993096  4.021261881847  -0.120009943744  -0.044556345277  -0.028396868304  0.003855838765  0.000573911589  -0.004157271062
  16  Al  4.082547227141  0.034852845685  8.098596221520  -0.014434398994  -0.003102953820  0.093314529074  0.004663684509  0.005008066853  -0.000123030367
  17  Al  4.011214858964  1.994684982666  2.020346596916  0.133578262702  0.053131515048  -0.012974734967  -0.005461898633  -0.004312594050  -0.000679307790
  18  Al  6.100911817240  8.070688061300  1.990245846646  -0.127016617593  -0.017164162352  0.046519384243  0.003619303091  -0.004228763642  -0.004957857175
  19  Al  6.086072835387  2.058839483742  8.057852679119  -0.105145298288  -0.106621046256  0.001086460865  0.001503451219  0.004776383604  -0.006059773494
  20  Al  4.060077778382  0.036848252428  4.053451399410  -0.049460337845  -0.117740891133  -0.025573335698  0.001406663711  0.005197090829  0.000475316009
  21  Al  4.057530188425  2.014535964391  6.082154301165  0.020600504902  0.043993592275  0.073598571210  0.001098541601  -0.001468311002  0.001090411131
  22  Al  6.075336564793  0.002678381240  6.078944070665  0.013877472443  0.124956048731  0.043729353923  0.000062320597  0.000489958888  0.000604002615
  23  Al  6.101836781587  2.030346539240  4.040275038148  -0.083107515618  -0.006600712523  0.133089769409  0.003788951014  0.000762672953  -0.001284359290
  24  Al  4.056548931641  4.046400314687  0.037692001358  0.052064776175  -0.040573641882  -0.108955648902  0.000984458909  -0.000549764159  0.005328022670
  25  Al  4.037621855102  6.108622895987  2.056862153346  0.026442552636  -0.065351575184  -0.064903315893  -0.001760215804  0.004776520772  0.004527182638
  26  Al  6.057411849916  4.075194874139  2.001727306434  -0.007560216786  0.030815519121  0.041256471367  -0.002534909341  0.003649401997  -0.003312826364
  27  Al  6.061504127213  6.090151584239  0.030644098024  0.017173072159  -0.058318698324  -0.053091089996  -0.001922262236  0.002129115506  0.004362543084
  28  Al  4.057175800711  4.064132518281  4.075493357871  -0.018480112301  -0.007080974829  -0.118052360534  0.001014625223  0.002024309400  0.003562614253
  29  Al  4.020532032959  6.084608961562  6.119494469828  0.158743567807  -0.026041751719  -0.104333423188  -0.004100503684  0.001359604238  0.006304344658
  30  Al  6.083078697077  4.019267036526  6.081272083475  -0.006082800647  0.026463587880  0.023382486524  0.001157807688  -0.004396588639  0.000926519925
  31  Al  6.103291645505  6.062371291350  4.047268241698  -0.063228936644  0.035756509530  -0.082988759478  0.004013899440  -0.001785601615  -0.000461148965


MDSTEP:  15
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.535556493459  -0.052786976683  0.006790872049
  -0.052786976683  -82.622289797643  -0.242633943913
  0.006790872049  -0.242633943913  -81.646980503251
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.067014441968  8.090376102275  8.084713592013  0.091638950418  0.007803911798  -0.070340375796  -0.004341241685  -0.001283703703  -0.002112434474
  1  Al  8.084556134057  2.002611125289  1.995067049737  0.088943873210  0.052397073896  0.001047910460  -0.001989527421  -0.002955547019  -0.004012574227
  2  Al  2.006189813162  8.069209633179  2.008435314865  0.042511112571  0.000259137483  0.071224551701  -0.002483310131  -0.004131905979  -0.002155796844
  3  Al  2.004879192003  2.015566627444  8.094423178643  0.019866501566  -0.013849742419  -0.121342631032  -0.002678011669  -0.001277027340  -0.000858173504
  4  Al  0.005307493269  8.076313617570  4.097860506290  0.072569331650  0.009821497950  -0.132537496190  0.000777515262  -0.003166536442  0.006299655118
  5  Al  0.004293365145  2.024524151442  6.093174547015  -0.012935631867  -0.022551825648  -0.047911930019  0.000562954627  -0.000082073802  0.002395185557
  6  Al  2.016431127378  8.095091567619  6.068038762084  -0.043643573757  0.121290506444  0.025968908215  -0.001189563075  -0.000547921644  -0.000911670601
  7  Al  2.022720245927  2.031572828427  4.068542025267  -0.015901362135  -0.049615264252  0.030770491667  -0.000320169014  0.000836012615  0.002513819362
  8  Al  8.087035855640  4.078896860424  8.058800136091  -0.003533622814  -0.081855170154  0.074779013781  -0.001740722502  0.003800808879  -0.005456797675
  9  Al  0.009475003055  6.071110880420  2.021959370755  0.004645054904  -0.002744995038  0.058824063216  0.001277541210  -0.000523451574  -0.000353883347
  10  Al  2.043369492685  4.015862880277  2.020162365688  -0.038798247034  0.216402177088  0.087666406010  0.002430384875  -0.004380441023  -0.000571321542
  11  Al  2.032261751506  6.085035965184  0.034145719860  -0.069224911475  0.012855683768  0.078418998889  0.000910136155  0.001359661342  0.004652040799
  12  Al  8.083002053072  4.061013169080  4.023705205832  0.112587168182  0.014185060761  0.106043321926  -0.002177645410  0.001492683460  -0.003429231571
  13  Al  0.002681004531  6.064091545311  6.047011305736  -0.002758771328  0.013006212238  0.055174463770  0.000360543040  -0.001450507766  -0.003702464712
  14  Al  2.019806889950  4.038191528527  6.087249147545  -0.065685561697  -0.087768219849  -0.065870244673  -0.000757140406  -0.001662593910  0.001584663180
  15  Al  2.054458492303  6.079533957238  4.019181976986  -0.129894770631  -0.047474804076  -0.028583915755  0.003833497463  0.000565684070  -0.004162365103
  16  Al  4.084878424183  0.037356740411  8.098538877462  -0.015658094691  -0.005077882091  0.099539961571  0.004660994261  0.005007335492  -0.000105789314
  17  Al  4.008489880548  1.992531060600  2.020006363055  0.141871608785  0.056548992181  -0.013334046012  -0.005437273612  -0.004302788692  -0.000681659776
  18  Al  6.102715791189  8.068572912247  1.987768997458  -0.134713020866  -0.018299191132  0.051211622531  0.003595904650  -0.004231934040  -0.004949120093
  19  Al  6.086819861040  2.061222909622  8.054822840937  -0.110813998624  -0.115526615639  0.002474482357  0.001484144613  0.004756523763  -0.006059455148
  20  Al  4.060778899378  0.039441534867  4.053687914295  -0.053870213462  -0.126989441555  -0.027157286944  0.001397426034  0.005175212113  0.000470601929
  21  Al  4.058080380061  2.013803775388  6.082702796560  0.021443274270  0.047177697555  0.078101264956  0.001102300284  -0.001460160355  0.001103972987
  22  Al  6.075368345410  0.002928946174  6.079248026659  0.015774687668  0.132550756299  0.046234588867  0.000064971479  0.000512979811  0.000612045327
  23  Al  6.103727542218  2.030727580667  4.039638807567  -0.087547936769  -0.007382073143  0.142107643970  0.003773694540  0.000761422902  -0.001259756840
  24  Al  4.057043488372  4.046123618981  0.040351142415  0.054856325373  -0.042822184130  -0.117829014209  0.000994017578  -0.000557219686  0.005307748285
  25  Al  4.036742929173  6.111008235181  2.059122843510  0.028572953351  -0.069157454470  -0.069886490042  -0.001755297457  0.004764495762  0.004515132527
  26  Al  6.056144057307  4.077020952580  2.000072737401  -0.005764625413  0.033045095263  0.045907176102  -0.002536100572  0.003655111090  -0.003305033997
  27  Al  6.060543763725  6.091213535168  0.032822996413  0.019112133852  -0.061973260007  -0.058353521870  -0.001919018365  0.002118361492  0.004352580015
  28  Al  4.057682287268  4.065144356464  4.077269388100  -0.020473470993  -0.006223110600  -0.125147883844  0.001011142801  0.002023120024  0.003540872326
  29  Al  4.018488876897  6.085287599624  6.122641978491  0.168267195726  -0.027388652014  -0.111020874045  -0.004071269157  0.001354827598  0.006285092139
  30  Al  6.083657329022  4.017069925119  6.081736388627  -0.005372699233  0.030239564089  0.022520322755  0.001156783574  -0.004391519418  0.000930623603
  31  Al  6.105295768915  6.061480088845  4.047033957648  -0.066069658740  0.039116519404  -0.088699482313  0.004002340238  -0.001778908021  -0.000476497770


MDSTEP:  16
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.426489002491  -0.059205163363  0.007929147543
  -0.059205163363  -82.523081275375  -0.274634575788
  0.007929147543  -0.274634575788  -81.415367837853
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.064847917353  8.089734599256  8.083654230587  0.098167741755  0.009105291160  -0.074673266671  -0.004324273104  -0.001282192033  -0.002125398589
  1  Al  8.083565346106  2.001135693910  1.993060809465  0.094499645256  0.056424730422  0.000784609067  -0.001973127703  -0.002945818428  -0.004012410401
  2  Al  2.004950058328  8.067143691773  2.007360600155  0.045462043851  0.002445012752  0.075451763638  -0.002475445394  -0.004131664230  -0.002142684087
  3  Al  2.003541074194  2.014927494696  8.093988667919  0.020887410279  -0.014406499907  -0.128278486463  -0.002674368298  -0.001279553428  -0.000880489452
  4  Al  0.005699494723  8.074730788367  4.101004409471  0.077130056457  0.010980644308  -0.142009763541  0.000790898279  -0.003164676745  0.006275110791
  5  Al  0.004574264241  2.024482106482  6.094369998148  -0.013470604018  -0.024143569180  -0.051030749344  0.000560593929  -0.000086248337  0.002386340153
  6  Al  2.015834394988  8.094823028439  6.067584087584  -0.045522781722  0.129231122647  0.028539663851  -0.001197534483  -0.000525525191  -0.000906797574
  7  Al  2.022559450635  2.031988616950  4.069800310378  -0.016298777595  -0.052329709413  0.032497283944  -0.000323047684  0.000826898808  0.002519475455
  8  Al  8.086165336438  4.080793605967  8.056075079848  -0.003934102955  -0.087634223014  0.080068511388  -0.001741390111  0.003785656649  -0.005442954417
  9  Al  0.010113981292  6.070849031932  2.021785058496  0.003926563485  -0.003286447857  0.062118148258  0.001278307506  -0.000523990781  -0.000343071201
  10  Al  2.044582950855  4.013682332865  2.019880623573  -0.041712995005  0.229148701370  0.093534020969  0.002423187228  -0.004340609095  -0.000555122354
  11  Al  2.032713725254  6.085716370499  0.036475245560  -0.072968774480  0.012661622555  0.082270256523  0.000897424142  0.001361942571  0.004666406303
  12  Al  8.081918262973  4.061760144877  4.021995330145  0.119908373691  0.013598300826  0.112572757293  -0.002156860476  0.001495167273  -0.003409687450
  13  Al  0.002861152735  6.063366872801  6.045162539659  -0.004118600394  0.013419161438  0.059117363543  0.000359928208  -0.001448145357  -0.003692247105
  14  Al  2.019425383626  4.037356308364  6.088038534759  -0.068796080061  -0.093608840400  -0.070307359001  -0.000769162968  -0.001678808889  0.001572489000
  15  Al  2.056369434785  6.079814677167  4.017099516744  -0.137962943402  -0.050824429862  -0.028778279299  0.003809551176  0.000556896189  -0.004167493242
  16  Al  4.087208221403  0.039860181177  8.098490432206  -0.016353955733  -0.005909004105  0.106183948232  0.004658132407  0.005006353272  -0.000087397744
  17  Al  4.005777585352  1.990382193974  2.019664937140  0.150958602777  0.060727488873  -0.014198861904  -0.005411094802  -0.004292304259  -0.000684121198
  18  Al  6.104507721890  8.066456127260  1.985296726553  -0.143904897358  -0.018029687876  0.055554380153  0.003570996409  -0.004235181816  -0.004939575290
  19  Al  6.087556980000  2.063596007505  8.051793223972  -0.117749256871  -0.123675111000  0.004722933311  0.001463711222  0.004735139301  -0.006058811704
  20  Al  4.061475204416  0.042023464541  4.053922001339  -0.057583121260  -0.135142597743  -0.029185828375  0.001387462186  0.005151777698  0.000465564896
  21  Al  4.058632488709  2.013075804036  6.083258274152  0.022864958832  0.051244669219  0.083063702754  0.001106261408  -0.001451361466  0.001118381019
  22  Al  6.075401536272  0.003191361050  6.079556115992  0.016106326850  0.141065350474  0.049178571055  0.000067821618  0.000537440894  0.000620575195
  23  Al  6.105610476126  2.031107962142  4.039015281308  -0.093796802779  -0.007413012988  0.150515835707  0.003757482451  0.000760100232  -0.001233596511
  24  Al  4.057542949219  4.045843095002  0.042999749643  0.058447525771  -0.046322194517  -0.126572089980  0.001004146861  -0.000565189129  0.005285899002
  25  Al  4.035866557645  6.113387391749  2.061377285873  0.031762079838  -0.073425686031  -0.075390421211  -0.001749903549  0.004751748932  0.004502144875
  26  Al  6.054875749344  4.078849985229  1.998422272437  -0.005476028998  0.033768721265  0.049970775374  -0.002537105478  0.003661084197  -0.003296462577
  27  Al  6.059585108848  6.092269945731  0.034996678039  0.019509050442  -0.066634595025  -0.063676016215  -0.001915565659  0.002106864042  0.004341670663
  28  Al  4.058186943511  4.066155638306  4.079034230197  -0.021487903989  -0.006516633600  -0.132326581208  0.001007391484  0.002021981100  0.003517854294
  29  Al  4.016460763801  6.085963789160  6.125779561967  0.178589351785  -0.029605727317  -0.117153658061  -0.004040260432  0.001349732342  0.006264693500
  30  Al  6.084235480652  4.014875517108  6.082202707079  -0.006328553135  0.033288795745  0.022039399659  0.001155737491  -0.004385840029  0.000934607210
  31  Al  6.107293985744  6.060592383329  4.046791743928  -0.070753551316  0.041798356782  -0.094602563448  0.003990108342  -0.001771674289  -0.000492884841


MDSTEP:  17
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.311329529496  -0.066004389140  0.009257478499
  -0.066004389140  -82.417460905544  -0.309098669077
  0.009257478499  -0.309098669077  -81.168906497211
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.062690168864  8.089093910242  8.082588193424  0.106619562450  0.010142891001  -0.078147043173  -0.004305965266  -0.001280471259  -0.002139060615
  1  Al  8.082583006354  1.999665306861  1.991054639336  0.102028281133  0.058990102215  0.002503930365  -0.001955558248  -0.002935500425  -0.004012116408
  2  Al  2.003714367768  8.065077968949  2.006292630778  0.046171914566  0.004865476435  0.080934939936  -0.002467253384  -0.004131010677  -0.002128703228
  3  Al  2.002204823704  2.014287074017  8.093542689191  0.019722209290  -0.016629587226  -0.134122665100  -0.002670737828  -0.001282328032  -0.000903947927
  4  Al  0.006098391548  8.073148940825  4.104135617081  0.083214152562  0.012346300888  -0.152557607243  0.000805232936  -0.003162591333  0.006248776680
  5  Al  0.004853959074  2.024437903105  6.095560887168  -0.012057281971  -0.027285999635  -0.055878590653  0.000558311754  -0.000090846103  0.002376782535
  6  Al  2.015233592895  8.094566042428  6.067131964510  -0.049352881822  0.137008086302  0.029913468638  -0.001206016299  -0.000501723597  -0.000901571906
  7  Al  2.022397198243  2.032399727235  4.071061500723  -0.019240339471  -0.056297137792  0.033145813165  -0.000326224855  0.000817187646  0.002525343901
  8  Al  8.085294465529  4.082682517073  8.053357181673  -0.002284754949  -0.093010926422  0.086266863594  -0.001741946072  0.003769507103  -0.005428084154
  9  Al  0.010753310561  6.070586889639  2.021616299555  0.005035043384  -0.002439699408  0.066649199136  0.001279108667  -0.000524502694  -0.000331559493
  10  Al  2.045792679914  4.011522271182  2.019607243334  -0.046985240817  0.241897269141  0.101029643362  0.002415257670  -0.004298497924  -0.000537728502
  11  Al  2.033159175647  6.086397907755  0.038812126162  -0.078698121551  0.013833411011  0.086954140608  0.000883865230  0.001364311208  0.004681534842
  12  Al  8.080845192596  4.062508336352  4.020295518382  0.129448155126  0.012725917773  0.118064546650  -0.002134568182  0.001497520639  -0.003389068641
  13  Al  0.003040932739  6.062643399954  6.043319058632  -0.003621143221  0.015375672872  0.061685527087  0.000359236280  -0.001445571120  -0.003681447413
  14  Al  2.019037726982  4.036512719638  6.088821636545  -0.074166870400  -0.099196241039  -0.076461765992  -0.000781943753  -0.001696045524  0.001559367946
  15  Al  2.058268043479  6.080090853428  4.015014483745  -0.148147266601  -0.053065403017  -0.029552759994  0.003783973129  0.000547608513  -0.004172707995
  16  Al  4.089536556590  0.042363093683  8.098451479718  -0.018861991779  -0.007324543858  0.113448133306  0.004654984127  0.005005170203  -0.000067762794
  17  Al  4.003078785746  1.988238756342  2.019322241857  0.157756842454  0.063481855236  -0.013650899053  -0.005383495863  -0.004281200033  -0.000686610947
  18  Al  6.106286787598  8.064337730431  1.982829422169  -0.150615724326  -0.017817295889  0.061574124234  0.003544666477  -0.004238386511  -0.004929104086
  19  Al  6.088283572262  2.065958048923  8.048764029233  -0.122443281452  -0.133567487979  0.007851713355  0.001442238182  0.004712141997  -0.006057687540
  20  Al  4.062166361564  0.044593312564  4.054153479191  -0.063047807761  -0.143612011815  -0.031842822696  0.001376677868  0.005126857236  0.000460108978
  21  Al  4.059186641469  2.012352413922  6.083821177579  0.022502901349  0.053627245024  0.086553612421  0.001110317262  -0.001441985992  0.001133544685
  22  Al  6.075436167028  0.003466387068  6.079868601853  0.018470190031  0.149353839655  0.050654566285  0.000070912734  0.000563404160  0.000629500205
  23  Al  6.107485024668  2.031487680899  4.038405211056  -0.097409426706  -0.009042558560  0.157979341564  0.003740388751  0.000758629116  -0.001206017264
  24  Al  4.058047635233  4.045558429852  0.045637041417  0.060011832453  -0.049452943610  -0.134290096549  0.001014737042  -0.000573751358  0.005262578110
  25  Al  4.034993025624  6.115759984113  2.063624988386  0.033007730240  -0.076172996869  -0.079847618326  -0.001744113174  0.004738374917  0.004488266706
  26  Al  6.053606951828  4.080682036777  1.996776274824  -0.002762779374  0.034473109120  0.055629670079  -0.002537842022  0.003667184967  -0.003287021973
  27  Al  6.058628198066  6.093320399210  0.037164667076  0.021923384567  -0.069457295885  -0.068164378928  -0.001911861629  0.002094697525  0.004329884226
  28  Al  4.058689678752  4.067166337565  4.080787242394  -0.024691111771  -0.006523037835  -0.140311644051  0.001003263113  0.002020815363  0.003493480633
  29  Al  4.014448616465  6.086637331966  6.128906671990  0.186664938905  -0.029986285550  -0.124459074232  -0.004007606961  0.001344404859  0.006243093496
  30  Al  6.084813066513  4.012684085091  6.082670995837  -0.005035536205  0.036354423782  0.019792805914  0.001154721549  -0.004379613975  0.000938346980
  31  Al  6.109285877257  6.059708414556  4.046541072806  -0.073155578333  0.046405851933  -0.101345073709  0.003977242969  -0.001763788896  -0.000510402419


MDSTEP:  18
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.188542930785  -0.072966297722  0.010991855796
  -0.072966297722  -82.305542818817  -0.344866861038
  0.010991855796  -0.344866861038  -80.910078751270
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.060541952087  8.088454127996  8.081515169972  0.110872496599  0.010016390055  -0.083858370726  -0.004286521632  -0.001278669034  -0.002153543783
  1  Al  8.081609787858  1.998200193485  1.989048693057  0.105345129268  0.064653853754  0.000907848565  -0.001937019214  -0.002924446744  -0.004011811397
  2  Al  2.002482804943  8.063012681096  2.005231896927  0.050100300126  0.005963043527  0.083834965290  -0.002458646718  -0.004130042616  -0.002113972917
  3  Al  2.000870336366  2.013645166664  8.093084719992  0.022042345438  -0.015380398949  -0.142484748885  -0.002667004107  -0.001285189701  -0.000928676430
  4  Al  0.006504727659  8.071568197033  4.107253186151  0.086096371825  0.012330472910  -0.160243861381  0.000820369175  -0.003160385247  0.006220812454
  5  Al  0.005132575995  2.024391260379  6.096746780683  -0.014351028277  -0.027417965666  -0.057842996646  0.000555950870  -0.000095736598  0.002366615907
  6  Al  2.014628378689  8.094321304842  6.066682515678  -0.049683933373  0.143352131598  0.033743739720  -0.001214870119  -0.000476659595  -0.000895880997
  7  Al  2.022233225780  2.032805804596  4.072325654279  -0.018465868126  -0.057537992232  0.036484212191  -0.000329595763  0.000807010867  0.002531568775
  8  Al  8.084423390365  4.084563113070  8.050646995694  -0.004484881715  -0.097326925783  0.089783073866  -0.001742551273  0.003752491036  -0.005412345417
  9  Al  0.011393089959  6.070324529238  2.021453499004  0.002262901042  -0.004522406604  0.068388496213  0.001279761098  -0.000525125102  -0.000319487220
  10  Al  2.046998208525  4.009383834941  2.019342895071  -0.048748571042  0.255627713937  0.105587281592  0.002406699136  -0.004254019549  -0.000519257098
  11  Al  2.033597590485  6.087080681707  0.041156780402  -0.081000759774  0.011718138173  0.088478944504  0.000869588265  0.001366595498  0.004697218434
  12  Al  8.079783694791  4.063257665516  4.018606261504  0.134642041629  0.013219269652  0.126055795463  -0.002110958708  0.001499840120  -0.003367244459
  13  Al  0.003220389015  6.061921301681  6.041481092246  -0.007105646115  0.014020544972  0.067072415712  0.000358277313  -0.001442943119  -0.003669936546
  14  Al  2.018643439873  4.035660262839  6.089597902705  -0.075865900946  -0.103335443128  -0.079274817794  -0.000795356575  -0.001714151711  0.001545445208
  15  Al  2.060153407914  6.080362285680  4.012926808750  -0.155031319931  -0.057851526161  -0.027621936104  0.003756869182  0.000537692619  -0.004177819371
  16  Al  4.091863205529  0.044865351380  8.098422669411  -0.017249702614  -0.009712561257  0.118135460768  0.004651755767  0.005003647098  -0.000047059388
  17  Al  4.000394089488  1.986100993942  2.018978326193  0.168815907328  0.069292650020  -0.016012394089  -0.005354300495  -0.004269330088  -0.000689262824
  18  Al  6.108052388368  8.062217740749  1.980367622467  -0.160890708914  -0.018424218899  0.064210221604  0.003516818026  -0.004241626476  -0.004917859056
  19  Al  6.088999218183  2.068308149503  8.045735536432  -0.130572489316  -0.140586312687  0.009357128991  0.001419618754  0.004687632845  -0.006056149082
  20  Al  4.062851882283  0.047150321777  4.054382110317  -0.065058668828  -0.152821328732  -0.031913402033  0.001365225241  0.005100356309  0.000454409217
  21  Al  4.059742805972  2.011633818044  6.084391818837  0.025775705241  0.059281319050  0.092832610667  0.001114633335  -0.001431892048  0.001149581684
  22  Al  6.075472449006  0.003754765211  6.080185616197  0.017367447792  0.156209919540  0.055186391779  0.000074116593  0.000590721341  0.000638962311
  23  Al  6.109350864878  2.031866591258  4.037809264044  -0.104826608041  -0.007290515379  0.167641195207  0.003722308995  0.000757168951  -0.001176907023
  24  Al  4.058557686261  4.045269343644  0.048262327753  0.065169272999  -0.051806094371  -0.145022014837  0.001025928143  -0.000582803843  0.005237607808
  25  Al  4.034122444470  6.118125766666  2.065865552579  0.038361845219  -0.081912715486  -0.086932490684  -0.001737732786  0.004724242168  0.004473356685
  26  Al  6.052337907322  4.082517170196  1.995135250464  -0.003281113035  0.035966835932  0.058754521829  -0.002538382342  0.003673482248  -0.003276796109
  27  Al  6.057673247219  6.094364643256  0.039326562265  0.021043694603  -0.075316184833  -0.075714144341  -0.001908020403  0.002081754880  0.004317021590
  28  Al  4.059190206624  4.068176453669  4.082527710831  -0.023596489768  -0.005425604474  -0.145443637990  0.000998946236  0.002019747163  0.003467934317
  29  Al  4.012453156841  6.087308194019  6.132022655462  0.198532869724  -0.033665350801  -0.128730256364  -0.003973170554  0.001338714448  0.006220458552
  30  Al  6.085390202201  4.010495903133  6.083141054058  -0.007245001388  0.041387146699  0.019921816841  0.001153623678  -0.004372663934  0.000941897438
  31  Al  6.111271228713  6.058828594433  4.046281341509  -0.078969637631  0.047294115621  -0.105281048928  0.003963643085  -0.001755412186  -0.000528874646


MDSTEP:  19
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -82.060286789193  -0.080848891640  0.012219220077
  -0.080848891640  -82.187309555024  -0.382303916479
  0.012219220077  -0.382303916479  -80.636605829446
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.058403647232  8.087815241208  8.080434649641  0.119897395313  0.011103999902  -0.087383900813  -0.004265890970  -0.001276780886  -0.002168852718
  1  Al  8.080645987140  1.996740860117  1.987042827938  0.113096645578  0.066408300209  0.002829831334  -0.001917490677  -0.002912729882  -0.004011477251
  2  Al  2.001255721050  8.060947926334  2.004178657861  0.049950225868  0.008885511033  0.089549218708  -0.002449702273  -0.004128715165  -0.002098472496
  3  Al  1.999537819598  2.013001884315  8.092614012760  0.019525223134  -0.018594241864  -0.147988749471  -0.002663287996  -0.001288227010  -0.000954644552
  4  Al  0.006918760724  8.069988555577  4.110356429535  0.092312277595  0.013427410117  -0.170450273787  0.000836318780  -0.003158082511  0.006191248636
  5  Al  0.005409909945  2.024342166507  6.097927503075  -0.012441242587  -0.031625311760  -0.063199096915  0.000553555661  -0.000101015025  0.002355794831
  6  Al  2.014018722776  8.094089382833  6.066236083512  -0.054132999743  0.150393066060  0.034730016861  -0.001224151278  -0.000450398986  -0.000889759493
  7  Al  2.022067602480  2.033206738102  4.073593069498  -0.021967401487  -0.062224493537  0.037133464741  -0.000333210468  0.000796304187  0.002538150143
  8  Al  8.083551914256  4.086435008109  8.047944836257  -0.002456485900  -0.102707975415  0.095892677231  -0.001743171826  0.003734608060  -0.005395746138
  9  Al  0.012033071659  6.070061764537  2.021296812335  0.003352468762  -0.002747410385  0.073384902462  0.001280263108  -0.000525775018  -0.000306812780
  10  Al  2.048199379050  4.007268251633  2.019087986236  -0.055151006204  0.267886250411  0.113698236341  0.002397410588  -0.004207217777  -0.000499653130
  11  Al  2.034028763912  6.087764503253  0.043509344596  -0.087303736011  0.013744021362  0.092207745224  0.000854541964  0.001368871797  0.004713371694
  12  Al  8.078734233888  4.064008176472  4.016928273923  0.144425629861  0.012255186467  0.131504400495  -0.002086010259  0.001502117518  -0.003344218762
  13  Al  0.003399210052  6.061200456835  6.039649122086  -0.006424765971  0.017078227937  0.068951692483  0.000357067704  -0.001440162911  -0.003657776088
  14  Al  2.018242370407  4.034798567927  6.090367081753  -0.081697430624  -0.108353056569  -0.085970129876  -0.000809442624  -0.001733076511  0.001530672428
  15  Al  2.062024912661  6.080628546047  4.010836664373  -0.166094405808  -0.059107680546  -0.027406768280  0.003728160773  0.000527236551  -0.004182738898
  16  Al  4.094188312358  0.047366740781  8.098404420330  -0.019898798164  -0.011791496495  0.125082140929  0.004648434718  0.005001724650  -0.000025315909
  17  Al  3.997724485251  1.983969426254  2.018632979033  0.175120577026  0.070740525184  -0.014607240505  -0.005323552820  -0.004256811222  -0.000692000197
  18  Al  6.109803605624  8.060096103955  1.977911563113  -0.166798103913  -0.017744749335  0.071004543400  0.003487522882  -0.004244859956  -0.004905770953
  19  Al  6.089703191017  2.070645681768  8.042707880152  -0.134114634660  -0.151625680718  0.013060937277  0.001395955916  0.004661509303  -0.006054144923
  20  Al  4.063531586804  0.049693668873  4.054607888408  -0.070818619422  -0.161085554182  -0.034451626760  0.001353077909  0.005072293259  0.000448476232
  21  Al  4.060301274804  2.010920521874  6.084970759264  0.025112672744  0.060890820810  0.095449957560  0.001119182720  -0.001421148745  0.001166414011
  22  Al  6.075510283621  0.004057108408  6.080507564164  0.020416087866  0.163907735280  0.056061048586  0.000077494414  0.000619339629  0.000648907752
  23  Al  6.111207333664  2.032244849850  4.037228304033  -0.107649516947  -0.010010054737  0.174813969673  0.003703313783  0.000755622292  -0.001146291777
  24  Al  4.059073563376  4.044975626009  0.050874649225  0.066448250628  -0.054568135726  -0.153431247272  0.001037694655  -0.000592313622  0.005210926302
  25  Al  4.033255292838  6.120484226281  2.068098345070  0.039687338052  -0.083520568224  -0.091114260733  -0.001730755245  0.004709452552  0.004457439433
  26  Al  6.051068569486  4.084355519025  1.993499478716  0.000702770134  0.036606845451  0.065225183072  -0.002538612844  0.003679970283  -0.003265712412
  27  Al  6.056720177663  6.095402154089  0.041481688665  0.023925337257  -0.077275676333  -0.080934140518  -0.001904000204  0.002068113277  0.004303017346
  28  Al  4.059688624988  4.069186084728  4.084255176711  -0.027211076648  -0.005274488753  -0.152755382197  0.000994404076  0.002018790583  0.003441275539
  29  Al  4.010475445911  6.087976046414  6.135127130542  0.205812805517  -0.033101023234  -0.135908117228  -0.003937022342  0.001332745582  0.006196800071
  30  Al  6.085966690191  4.008311421156  6.083612893276  -0.005382732471  0.045152277399  0.016685843578  0.001152494768  -0.004364927372  0.000945170137
  31  Al  6.113249520341  6.057953002370  4.046012198161  -0.080242748774  0.052877420191  -0.111664875601  0.003949409612  -0.001746456923  -0.000548269455


MDSTEP:  20
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -81.924183014858  -0.087843645056  0.014577963024
  -0.087843645056  -82.062842063987  -0.421464720694
  0.014577963024  -0.421464720694  -80.351116222369
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.056276061117  8.087177347110  8.079346317253  0.125512917958  0.011995028818  -0.091569990147  -0.004353320356  -0.001307565957  -0.002241155844
  1  Al  8.079692297181  1.995287463603  1.985037215805  0.117513976670  0.071356693617  0.002572158650  -0.001945757713  -0.002975159000  -0.004114359779
  2  Al  2.000033102671  8.058883965930  2.003133424431  0.053275024081  0.011907515767  0.093362071907  -0.002503366326  -0.004233207570  -0.002135777709
  3  Al  1.998207048370  2.012356939655  8.092130075440  0.021170050267  -0.018295025057  -0.154338549941  -0.002728190462  -0.001324808168  -0.001006970616
  4  Al  0.007341046439  8.068410114522  4.113444434787  0.095967585393  0.014629148648  -0.179825315189  0.000875137017  -0.003236895106  0.006318679039
  5  Al  0.005686131656  2.024290245354  6.099102575513  -0.013553069882  -0.032546208404  -0.066311839339  0.000565437325  -0.000109502966  0.002404628358
  6  Al  2.013404227411  8.093870905856  6.065792756185  -0.054537235191  0.157307239740  0.037784641901  -0.001265663711  -0.000433788922  -0.000906039247
  7  Al  2.021900015311  2.033602108783  4.074863804422  -0.021678454448  -0.064007119128  0.038671785329  -0.000345799942  0.000805249534  0.002610511204
  8  Al  8.082680218539  4.088297721129  8.045251249556  -0.003651232354  -0.107852481761  0.100866052560  -0.001788654390  0.003811541843  -0.005516753997
  9  Al  0.012673353067  6.069798754220  2.021146686224  0.001319602487  -0.004088817949  0.075875930820  0.001313684614  -0.000539951424  -0.000301031821
  10  Al  2.049395619114  4.005176617164  2.018843241941  -0.057584831313  0.279908916038  0.119410197625  0.002448854906  -0.004265405481  -0.000491152681
  11  Al  2.034452132449  6.088449553504  0.045870152096  -0.089787580422  0.012204050539  0.094385172724  0.000860324135  0.001406527872  0.004851948952
  12  Al  8.077697684532  4.064759783034  4.015262042742  0.150796513397  0.011188462166  0.137886517226  -0.002112695055  0.001542977743  -0.003405697067
  13  Al  0.003577456719  6.060481138770  6.037823316158  -0.008981027493  0.016472225450  0.073417669104  0.000364856769  -0.001474199994  -0.003738983209
  14  Al  2.017833997249  4.033927186329  6.091128575133  -0.083528323025  -0.113097628244  -0.090096813051  -0.000845454113  -0.001798046541  0.001553972780
  15  Al  2.063881568687  6.080889522230  4.008744069852  -0.173177352749  -0.063261447715  -0.025957072214  0.003793125175  0.000529602083  -0.004295423941
  16  Al  4.096511640248  0.049867076030  8.098397353502  -0.019556228821  -0.013767049470  0.130847343658  0.004764609208  0.005128277961  -0.000002498774
  17  Al  3.995070536668  1.981844182719  2.018286325996  0.184575401047  0.075917573395  -0.015721299814  -0.005427758361  -0.004353062507  -0.000712614634
  18  Al  6.111539911250  8.057972880794  1.975461851514  -0.176229931708  -0.016954515115  0.075289495925  0.003545941455  -0.004357434291  -0.005018779661
  19  Al  6.090395174099  2.072969658806  8.039681391509  -0.141449736502  -0.159394518936  0.016436483672  0.001406660324  0.004753117351  -0.006207458457
  20  Al  4.064204960192  0.052222615037  4.054830586549  -0.073935473763  -0.169427434972  -0.035717105126  0.001374673042  0.005172699879  0.000453599010
  21  Al  4.060861988692  2.010212669299  6.085558232848  0.027285363344  0.065918773252  0.100390259715  0.001152829720  -0.001446143667  0.001214432286
  22  Al  6.075549943420  0.004374104839  6.080834523949  0.019551944407  0.171302451647  0.059294566017  0.000083156681  0.000666040170  0.000676208923
  23  Al  6.113054178660  2.032622213550  4.036662972266  -0.114348704815  -0.009059764252  0.182706925979  0.003778392217  0.000773346319  -0.001143046536
  24  Al  4.059595380916  4.044677030022  0.053473254055  0.070577100331  -0.057660463180  -0.162973301304  0.001077002255  -0.000617869576  0.005316199357
  25  Al  4.032391689225  6.122835219218  2.070322992012  0.044329446611  -0.088350101915  -0.097527053008  -0.001767653126  0.004815056573  0.004555011021
  26  Al  6.049799294478  4.086197140479  1.991869538052  0.001059738030  0.036717439265  0.069508973346  -0.002603872622  0.003781529146  -0.003337516015
  27  Al  6.055769247015  6.096432756533  0.043629579611  0.023271603997  -0.082555952889  -0.087613716592  -0.001948739196  0.002106752595  0.004398452027
  28  Al  4.060184610701  4.070195244251  4.085968986370  -0.027420185991  -0.005038339652  -0.158749741590  0.001015020541  0.002069870173  0.003501393043
  29  Al  4.008516134499  6.088640939601  6.138219455534  0.216184198394  -0.035937568650  -0.140939708590  -0.003999783052  0.001360760090  0.006331107095
  30  Al  6.086542696969  4.006130975761  6.084086224195  -0.007322556022  0.049607925599  0.015315962573  0.001181030057  -0.004468724068  0.000972462341
  31  Al  6.115220638325  6.057082137510  4.045733072053  -0.085648541916  0.054860993348  -0.116680702826  0.004035975249  -0.001781584097  -0.000583338660


MDSTEP:  21
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -81.778447154126  -0.095953664170  0.016561794336
  -0.095953664170  -81.928377692116  -0.463261285845
  0.016561794336  -0.463261285845  -80.044442973946
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.054105011321  8.086524100305  8.078221646186  0.133409022761  0.012915715469  -0.095311846870  -0.004330172921  -0.001305338954  -0.002257862946
  1  Al  8.078724671157  1.993803073722  1.982980150890  0.124067094168  0.074449941994  0.003346251746  -0.001924160539  -0.002962123991  -0.004113830677
  2  Al  1.998783800882  8.056767894407  2.002069708828  0.054163282607  0.015321976122  0.097944374527  -0.002493761418  -0.004230773273  -0.002118675051
  3  Al  1.996843899433  2.011693717790  8.091619691255  0.019903901952  -0.020088548048  -0.159937172569  -0.002724518480  -0.001328239632  -0.001035066639
  4  Al  0.007782904664  8.066792320887  4.116595736180  0.101174131667  0.015990605062  -0.190220072274  0.000892761344  -0.003234157722  0.006285597248
  5  Al  0.005968244501  2.024234039068  6.100301925577  -0.012581336799  -0.035568348927  -0.070558135386  0.000563100928  -0.000115592358  0.002392392281
  6  Al  2.012768957761  8.093661042972  6.065341425522  -0.057386959135  0.164121791460  0.040315564620  -0.001275669654  -0.000405053397  -0.000899057144
  7  Al  2.021726146321  2.034001872455  4.076170788639  -0.024067693231  -0.067549314029  0.039469775327  -0.000349889615  0.000793488484  0.002617497004
  8  Al  8.081785728135  4.090198671084  8.042497381234  -0.002622293735  -0.113038874742  0.106890314127  -0.001789215239  0.003791794315  -0.005498180727
  9  Al  0.013330254360  6.069528595739  2.020999561940  0.001172485154  -0.003567104371  0.079275988584  0.001313907405  -0.000540635858  -0.000287161351
  10  Al  2.050617472545  4.003056426251  2.018603003193  -0.062994809096  0.292135056972  0.126183700626  0.002438075173  -0.004214265161  -0.000469196763
  11  Al  2.034878281044  6.089153362957  0.048300345555  -0.094703152848  0.012591174216  0.097152618663  0.000843830796  0.001408744548  0.004869072293
  12  Al  8.076648077554  4.065531772026  4.013565357686  0.159555754144  0.009860180721  0.143723292602  -0.002084949786  0.001544859477  -0.003380521353
  13  Al  0.003759483655  6.059744775076  6.035957106297  -0.009837802762  0.018109388316  0.077075340535  0.000363174379  -0.001471108423  -0.003725529242
  14  Al  2.017407536507  4.033023107635  6.091901534227  -0.087924829158  -0.117798622688  -0.095549178166  -0.000860781901  -0.001818688499  0.001537376162
  15  Al  2.065770390309  6.081151495508  4.006595197610  -0.182941233215  -0.065826847361  -0.024824489025  0.003761288430  0.000518061683  -0.004299963776
  16  Al  4.098893070695  0.052430599629  8.098401952944  -0.021142884110  -0.016467477672  0.137306361167  0.004760970737  0.005125575016  0.000021473974
  17  Al  3.992364907941  1.979671044954  2.017929315943  0.192084872131  0.078957728682  -0.015577406174  -0.005394085203  -0.004339216766  -0.000715412715
  18  Al  6.113305004563  8.055793405788  1.972955827097  -0.183193737370  -0.015857926054  0.081025923186  0.003513809238  -0.004360367699  -0.005004805175
  19  Al  6.091092181508  2.075339092604  8.036578396986  -0.145868025160  -0.169806768203  0.020914599413  0.001380974323  0.004723686993  -0.006204119297
  20  Al  4.064888991824  0.054801391631  4.055055789512  -0.078745381255  -0.178147400263  -0.037694095227  0.001361023483  0.005141626938  0.000447036101
  21  Al  4.061439623197  2.009492544011  6.086169936399  0.027404731902  0.068873586216  0.104160962843  0.001157718975  -0.001434093327  0.001232719018
  22  Al  6.075592395726  0.004714782082  6.081175278856  0.021199901759  0.178416979160  0.061512136874  0.000086799867  0.000697304835  0.000687008956
  23  Al  6.114938263423  2.033008481742  4.036099615932  -0.118427817716  -0.010307309929  0.189853569142  0.003757582163  0.000771614917  -0.001109739896
  24  Al  4.060137036814  4.044365517832  0.056124068885  0.072538836417  -0.060254777372  -0.172113959235  0.001089796717  -0.000628411113  0.005286242797
  25  Al  4.031509844173  6.125238798286  2.072596138098  0.047013809208  -0.091114697990  -0.103343700731  -0.001759487105  0.004799012549  0.004537053320
  26  Al  6.048497405537  4.088089546308  1.990203887070  0.004263833137  0.036718138686  0.075197013299  -0.002603396699  0.003788094234  -0.003324579404
  27  Al  6.054795917650  6.097482442609  0.045824889323  0.024953318269  -0.085699082419  -0.094185135696  -0.001944427922  0.002091710716  0.004382199340
  28  Al  4.060690895299  4.071229954126  4.087712586835  -0.029790432184  -0.004580850963  -0.165476998382  0.001009905953  0.002069010224  0.003472407406
  29  Al  4.006525906329  6.089319713250  6.141378709127  0.224570344031  -0.036608375464  -0.146779983386  -0.003960379913  0.001354274535  0.006305385161
  30  Al  6.087132884682  4.003898831183  6.084573139984  -0.006662364794  0.054501728695  0.012506665608  0.001179779815  -0.004459416740  0.000974949664
  31  Al  6.117234797490  6.056193797728  4.045436187138  -0.088584566739  0.059318334725  -0.122282279767  0.004020398934  -0.001771376548  -0.000604701778


MDSTEP:  22
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -81.624394983768  -0.103417481944  0.019607584803
  -0.103417481944  -81.787398342038  -0.505830085262
  0.019607584803  -0.505830085262  -79.725716626924
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.051945888196  8.085872008156  8.077088454307  0.138049402877  0.014005643898  -0.099511978128  -0.004305904733  -0.001302932204  -0.002275280055
  1  Al  8.077768136642  1.992325339612  1.980923385128  0.127230678063  0.080332476532  0.002294200019  -0.001901694699  -0.002948286554  -0.004113326425
  2  Al  1.997539341252  8.054653192658  2.001014749381  0.058768984186  0.019141491245  0.101202968871  -0.002483665355  -0.004227692263  -0.002100871421
  3  Al  1.995482529890  2.011028700023  8.091095008801  0.022899557689  -0.018980012610  -0.166138186941  -0.002720691882  -0.001331732333  -0.001064217542
  4  Al  0.008233807783  8.065175956800  4.119730032035  0.103861773105  0.017429001774  -0.199752473259  0.000911091407  -0.003231170033  0.006250733983
  5  Al  0.006249232583  2.024174652996  6.101494967795  -0.014741828431  -0.035780084111  -0.073201420948  0.000560658256  -0.000121970857  0.002379540280
  6  Al  2.012128557757  8.093465852458  6.064893699041  -0.055954211739  0.170694450483  0.044134739072  -0.001285802273  -0.000375121066  -0.000891507348
  7  Al  2.021550125697  2.034395597267  4.077481301425  -0.022240638292  -0.068544034926  0.041011980192  -0.000354029546  0.000781321837  0.002624692015
  8  Al  8.080891003300  4.092089515444  8.039753068828  -0.005095183631  -0.118390546304  0.111979079190  -0.001789905176  0.003771104691  -0.005478613961
  9  Al  0.013987260473  6.069258118362  2.020859524873  -0.002229081472  -0.005744550710  0.081020355827  0.001313812946  -0.000541468313  -0.000272830973
  10  Al  2.051833694287  4.000962352003  2.018374045178  -0.064359732157  0.303712223388  0.131440927558  0.002426689769  -0.004160996843  -0.000446165307
  11  Al  2.035295963246  6.089858298052  0.050739224388  -0.095583810747  0.010076907826  0.098207091750  0.000826819279  0.001410771058  0.004886537310
  12  Al  8.075612734746  4.066304642511  4.011881521389  0.164918169567  0.008350833046  0.150243212119  -0.002055942051  0.001546487528  -0.003354240959
  13  Al  0.003940631098  6.059010030347  6.034097786916  -0.013833762470  0.016628369350  0.082425762150  0.000361058158  -0.001468002893  -0.003711269958
  14  Al  2.016973215348  4.032108497829  6.092665951294  -0.087835461844  -0.122274377393  -0.099150125776  -0.000876494745  -0.001840150853  0.001519970184
  15  Al  2.067642857117  6.081407583913  4.004444106076  -0.188716314987  -0.070741288262  -0.022309829500  0.003728062512  0.000505852589  -0.004304177550
  16  Al  4.101272610984  0.054992651047  8.098418827476  -0.019730683214  -0.018769212438  0.142743090767  0.004757316669  0.005122424882  0.000046510193
  17  Al  3.989676451464  1.977504965953  2.017570913281  0.202897514569  0.085008984839  -0.017194299466  -0.005358774062  -0.004324558260  -0.000718342482
  18  Al  6.115053720487  8.053612513094  1.970457046339  -0.194081561704  -0.014270454962  0.084943087737  0.003480081097  -0.004363061155  -0.004989967665
  19  Al  6.091776148421  2.077693345799  8.033477272212  -0.154399514976  -0.177207676283  0.025260093473  0.001354130621  0.004692664151  -0.006199991313
  20  Al  4.065565983675  0.057364241975  4.055277622650  -0.080924776516  -0.186497781773  -0.038615638987  0.001346749086  0.005109027922  0.000440214066
  21  Al  4.062019707666  2.008778575972  6.086790951866  0.030516047553  0.075003135535  0.109588006034  0.001162897051  -0.001421230852  0.001251828022
  22  Al  6.075636743287  0.005071409675  6.081521532904  0.018662048769  0.185452490987  0.065355295136  0.000090363496  0.000729834504  0.000698350813
  23  Al  6.116811760823  2.033393828467  4.035553232371  -0.126712950367  -0.008495140237  0.197541639633  0.003735666755  0.000769933991  -0.001075107043
  24  Al  4.060685177633  4.044048618908  0.058759496851  0.077681266316  -0.063427452843  -0.182697436311  0.001103226286  -0.000639468216  0.005254522913
  25  Al  4.030632202120  6.127634231766  2.074860045332  0.053339377801  -0.096560208811  -0.110687160752  -0.001750515602  0.004782234547  0.004517919115
  26  Al  6.047195897780  4.089985234713  1.988544958648  0.003677553800  0.036123382574  0.079253426148  -0.002602686744  0.003794606213  -0.003310771646
  27  Al  6.053824819093  6.098524467249  0.048011778952  0.022720113211  -0.092016142261  -0.102119047496  -0.001940165952  0.002075823103  0.004364649888
  28  Al  4.061194516653  4.072264254476  4.089441393776  -0.028847103702  -0.004455807138  -0.170860277385  0.001004663799  0.002068202353  0.003442339096
  29  Al  4.004555754586  6.089995214136  6.144524840695  0.236009986237  -0.040347397124  -0.150864035570  -0.003919204363  0.001347394744  0.006278776000
  30  Al  6.087722476784  4.001671559021  6.085061173859  -0.010288542880  0.059957497895  0.011188207186  0.001178264416  -0.004449184167  0.000977067969
  31  Al  6.119241037259  6.055310760962  4.045128370275  -0.095657314615  0.060585278811  -0.126731252342  0.004003927843  -0.001760657251  -0.000626963409


MDSTEP:  23
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -81.464916539150  -0.112076905870  0.022203811823
  -0.112076905870  -81.639727586860  -0.550573022585
  0.022203811823  -0.550573022585  -79.392843090479
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.049799106589  8.085221168101  8.075946366130  0.146693034730  0.015323477156  -0.102984410933  -0.004280448964  -0.001300310202  -0.002293383087
  1  Al  8.076822976458  1.990854787167  1.978866824466  0.134297769799  0.082400553637  0.004813281830  -0.001878314244  -0.002933738339  -0.004112691021
  2  Al  1.996300135527  8.052540202144  1.999968837406  0.058431670326  0.023978126548  0.107291718205  -0.002473187701  -0.004223837401  -0.002082232146
  3  Al  1.994123207551  2.010361985456  8.090555473713  0.020233939022  -0.021901966736  -0.170974457965  -0.002716835778  -0.001335387153  -0.001094355170
  4  Al  0.008693996070  8.063561150854  4.122846470163  0.109348792906  0.019487916172  -0.210297916085  0.000930152278  -0.003227869687  0.006214075773
  5  Al  0.006528902757  2.024112068211  6.102681465858  -0.012978685071  -0.040051373425  -0.079252232967  0.000558180062  -0.000128750135  0.002365911033
  6  Al  2.011483155488  8.093285921906  6.064449918174  -0.059382120987  0.177254117805  0.045095679944  -0.001296113258  -0.000344014715  -0.000883530213
  7  Al  2.021372116775  2.034783194292  4.078795480653  -0.025706904112  -0.073228573998  0.041337047060  -0.000358316022  0.000768647467  0.002632053959
  8  Al  8.079995822960  4.093969775775  8.037018767273  -0.003254023503  -0.123907829341  0.118037041407  -0.001790651589  0.003749443391  -0.005458050685
  9  Al  0.014644067307  6.068987127426  2.020726730967  -0.002144562549  -0.004031107643  0.085744770018  0.001313421946  -0.000542342250  -0.000257922291
  10  Al  2.053044162314  3.998895429408  2.018156837886  -0.071215715154  0.314575252794  0.139787315256  0.002414569421  -0.004105722388  -0.000421917697
  11  Al  2.035705100323  6.090564134015  0.053186882865  -0.101260924835  0.011307243593  0.099946221279  0.000809221501  0.001412682786  0.004904252074
  12  Al  8.074592135504  4.067078259554  4.010211116727  0.174167439002  0.006045641620  0.155748121888  -0.002025628041  0.001547774563  -0.003326885554
  13  Al  0.004120541813  6.058276772183  6.032245836339  -0.014150110346  0.019468184946  0.084596756641  0.000358556420  -0.001464775887  -0.003696338265
  14  Al  2.016531041762  4.031182956782  6.093421504411  -0.092941856207  -0.126719719774  -0.106118624383  -0.000892656107  -0.001862410746  0.001501619305
  15  Al  2.069498452822  6.081657348097  4.002291020060  -0.199330689652  -0.072046133123  -0.020035157225  0.003693371389  0.000493087497  -0.004307963161
  16  Al  4.103650387364  0.057553024510  8.098448463137  -0.021793885209  -0.021745639091  0.148775605403  0.004753604403  0.005118802883  0.000072571755
  17  Al  3.987006133879  1.975346486693  2.017210973460  0.209373996050  0.086739572010  -0.015201096771  -0.005321917286  -0.004309204063  -0.000721238607
  18  Al  6.116785085660  8.051430344633  1.967965859432  -0.199603038754  -0.012023862616  0.092696376542  0.003444885977  -0.004365411848  -0.004974086825
  19  Al  6.092446312129  2.080031756755  8.030378405673  -0.157470562566  -0.188932378534  0.030573481132  0.001326249660  0.004659931494  -0.006194999832
  20  Al  4.066235740910  0.059910419552  4.055496003578  -0.086348620416  -0.194708554388  -0.040230114224  0.001331794965  0.005074948349  0.000433165312
  21  Al  4.062602520248  2.008071313159  6.087421764421  0.030008831183  0.076810618319  0.111383078471  0.001168307931  -0.001407658811  0.001271582678
  22  Al  6.075682759222  0.005444616587  6.081873629669  0.021037310144  0.192280356222  0.065685924720  0.000093912590  0.000763603549  0.000710065803
  23  Al  6.118673930177  2.033778415733  4.035024508889  -0.129411310786  -0.011063432080  0.204042247110  0.003712769430  0.000768185469  -0.001039205732
  24  Al  4.061240263100  4.043726049616  0.061378591798  0.078901773291  -0.066134331721  -0.192270818157  0.001117224697  -0.000651050946  0.005221001021
  25  Al  4.029759328570  6.130021032833  2.077114057213  0.055839252388  -0.097941386667  -0.115216090483  -0.001740755111  0.004764846244  0.004497723527
  26  Al  6.045894718793  4.091884152522  1.986893115424  0.008542122548  0.035153198998  0.086861594999  -0.002601594314  0.003800978288  -0.003295921083
  27  Al  6.052855751698  6.099558265712  0.050189539211  0.025127458255  -0.093944888690  -0.109392382932  -0.001935888413  0.002059198321  0.004345740918
  28  Al  4.061695559098  4.073298156479  4.091154925931  -0.031853889986  -0.004297884505  -0.177008459172  0.000999237174  0.002067419780  0.003411239881
  29  Al  4.002606701966  6.090667107994  6.147657485127  0.243248495197  -0.039702371780  -0.157794980076  -0.003876359000  0.001340238352  0.006251182106
  30  Al  6.088311149098  3.999449647016  6.085550207953  -0.008909913216  0.065113456206  0.006225445294  0.001176548088  -0.004438002914  0.000978624737
  31  Al  6.121238725333  6.054433140477  4.044809223729  -0.097495071491  0.066443718086  -0.131864965827  0.003986660158  -0.001749300950  -0.000650081725


MDSTEP:  24
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -81.296416643695  -0.119625820611  0.025812614861
  -0.119625820611  -81.485598308980  -0.595842265837
  0.025812614861  -0.595842265837  -79.049733748240
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.047665439233  8.084571697954  8.074795071221  0.152386531004  0.015733822009  -0.106447392835  -0.004253711466  -0.001297533701  -0.002312106139
  1  Al  8.075889822398  1.989391601273  1.976810694107  0.138386387532  0.087786343585  0.003423783436  -0.001853936477  -0.002918523753  -0.004111954633
  2  Al  1.995066153552  8.050429355257  1.998932517234  0.061617850683  0.028054496985  0.109970446154  -0.002462455360  -0.004219185722  -0.002062809065
  3  Al  1.992765694111  2.009693312870  8.090000653632  0.021498149637  -0.021521028807  -0.175874356543  -0.002713104960  -0.001339269137  -0.001125363204
  4  Al  0.009163960061  8.061948087113  4.125944107808  0.112787310576  0.020436922069  -0.220438051363  0.000950011086  -0.003224300435  0.006175568288
  5  Al  0.006807412646  2.024045902861  6.103860878828  -0.014055989377  -0.040801443083  -0.081475714956  0.000555763182  -0.000135978318  0.002351542071
  6  Al  2.010832444499  8.093121837744  6.064010168828  -0.058856793067  0.182434673739  0.049534195836  -0.001306683732  -0.000311858796  -0.000875070370
  7  Al  2.021191809675  2.035164244735  4.080113355384  -0.025018508106  -0.074552602128  0.041821263315  -0.000362850837  0.000755435937  0.002639488252
  8  Al  8.079100351711  4.095838958835  8.034295018143  -0.004744713458  -0.128481445411  0.123684515815  -0.001791366670  0.003726879971  -0.005436440952
  9  Al  0.015300682418  6.068715776112  2.020601602582  -0.004904038748  -0.005659903391  0.086702594918  0.001312791806  -0.000543208620  -0.000242505620
  10  Al  2.054248263708  3.996856629615  2.017952127480  -0.074007255484  0.326045402002  0.144787582596  0.002401586592  -0.004048451362  -0.000396476906
  11  Al  2.036105184747  6.091270980837  0.055643476462  -0.103202035836  0.009198464424  0.100525941316  0.000790942660  0.001414515981  0.004922174141
  12  Al  8.073587106705  4.067852417074  4.008554635835  0.180382004440  0.004747416618  0.161528751384  -0.001993931576  0.001548739455  -0.003298521230
  13  Al  0.004299187518  6.057545254461  6.030401448650  -0.017269849776  0.018497938499  0.090574395505  0.000355747498  -0.001461381742  -0.003680678090
  14  Al  2.016080559241  4.030246087084  6.094167570600  -0.093873800652  -0.129790760966  -0.109567151118  -0.000909357292  -0.001885342598  0.001482337152
  15  Al  2.071336228506  6.081900671410  4.000136142915  -0.206062868075  -0.076593233721  -0.017061312039  0.003657129497  0.000479799244  -0.004311279559
  16  Al  4.106026215387  0.060111453930  8.098491399231  -0.021289882347  -0.025416699681  0.154451657673  0.004749752745  0.005114586604  0.000099680054
  17  Al  3.984354534179  1.973195761890  2.016849674673  0.218793554475  0.092203064814  -0.016810982651  -0.005283639415  -0.004293206720  -0.000724100464
  18  Al  6.118498606465  8.049247101246  1.965482959514  -0.208854186997  -0.010459357150  0.096391515501  0.003408370195  -0.004367421832  -0.004957182503
  19  Al  6.093102398082  2.082353277292  8.027282272380  -0.164168656164  -0.197159148103  0.036460240785  0.001297495346  0.004625415189  -0.006189007065
  20  Al  4.066897778640  0.062439190324  4.055710787962  -0.089591974110  -0.203589060981  -0.041500924702  0.001316066002  0.005039340829  0.000425858616
  21  Al  4.063188015597  2.007370917161  6.088062534543  0.032107816060  0.082466199317  0.116617579200  0.001173861115  -0.001393419578  0.001291965772
  22  Al  6.075730655877  0.005835013224  6.082231598708  0.019583132943  0.197981236825  0.070012662045  0.000097544029  0.000798492655  0.000722197159
  23  Al  6.120524530254  2.034162013936  4.034514026638  -0.136322284736  -0.009561166501  0.210586862284  0.003689013038  0.000766341644  -0.001002138188
  24  Al  4.061802402330  4.043397567962  0.063980497872  0.082986377169  -0.068259849840  -0.202531995849  0.001131697381  -0.000663065689  0.005185705934
  25  Al  4.028891447009  6.132399078011  2.079357768859  0.061458124428  -0.102782936683  -0.123203903126  -0.001730268810  0.004746901634  0.004476408951
  26  Al  6.044594303466  4.093786213001  1.985249037565  0.009691577097  0.034632656583  0.090960463540  -0.002599964234  0.003807217094  -0.003280023919
  27  Al  6.051888930679  6.100583665570  0.052357519870  0.024068637075  -0.099543702962  -0.117563773336  -0.001931490318  0.002041900580  0.004325451201
  28  Al  4.062193753827  4.074331674255  4.092852633657  -0.031930376198  -0.003350824302  -0.182438781775  0.000993534906  0.002066735991  0.003379105556
  29  Al  4.000679395586  6.091335452489  6.150776022802  0.253078008418  -0.042812534987  -0.161203123288  -0.003831987767  0.001332861579  0.006222663906
  30  Al  6.088899024872  3.997233556107  6.086039798596  -0.011348333049  0.071922916331  0.004494429794  0.001174737016  -0.004425751961  0.000979583086
  31  Al  6.123227697417  6.053561460012  4.044478288551  -0.103323915360  0.068194144898  -0.136411417518  0.003968707085  -0.001737264422  -0.000674065440


MDSTEP:  25
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -81.121819760289  -0.128053482048  0.029827627890
  -0.128053482048  -81.324348204303  -0.643193469157
  0.029827627890  -0.643193469157  -78.693941141737
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.045545395123  8.083923634400  8.073634259991  0.159817295235  0.016760819400  -0.110096412989  -0.004225800668  -0.001294628704  -0.002331465000
  1  Al  8.074969039981  1.987936263415  1.974754869832  0.144028975309  0.091871502315  0.004606904955  -0.001828688747  -0.002902462470  -0.004111236695
  2  Al  1.993837680167  8.048321016422  1.997906028341  0.062516989543  0.033276443799  0.114526400793  -0.002451357795  -0.004213702780  -0.002042739209
  3  Al  1.991410102591  2.009022716319  8.089430110509  0.020594936693  -0.022276521496  -0.180641069362  -0.002709341868  -0.001343184607  -0.001157235426
  4  Al  0.009644007156  8.060336850418  4.129022038450  0.117215695772  0.022462062321  -0.230650960725  0.000970573189  -0.003220465297  0.006135241255
  5  Al  0.007084665939  2.023976089892  6.105033007928  -0.013297663076  -0.043009892060  -0.086269349012  0.000553317785  -0.000143470991  0.002336545783
  6  Al  2.010176471756  8.092974063110  6.063574847804  -0.060239337495  0.188149394625  0.052124972345  -0.001317330840  -0.000278728847  -0.000865982114
  7  Al  2.021009265938  2.035538630229  4.081434968905  -0.026889780647  -0.076963848073  0.042310949129  -0.000367491401  0.000741890475  0.002647009611
  8  Al  8.078204456289  4.097696655746  8.031582326320  -0.003992790442  -0.133658277346  0.129401859605  -0.001792147797  0.003703444869  -0.005413815212
  9  Al  0.015956859113  6.068443918806  2.020484225347  -0.006018212174  -0.005992332144  0.089761620930  0.001311815364  -0.000544250321  -0.000226729846
  10  Al  2.055445748906  3.994846978046  2.017760360980  -0.079352042543  0.336518353013  0.151626455668  0.002387876381  -0.003989218639  -0.000369977704
  11  Al  2.036496042983  6.091978649996  0.058109057006  -0.106890591068  0.008043342742  0.100750563992  0.000772160530  0.001416057386  0.004940168116
  12  Al  8.072598203927  4.068626999009  4.006912595497  0.188565931353  0.002281656866  0.167283090157  -0.001960947896  0.001549367849  -0.003269125688
  13  Al  0.004476289311  6.056815390441  6.028565158248  -0.018854746515  0.019126931876  0.094398075726  0.000352517985  -0.001458018106  -0.003664141685
  14  Al  2.015621684469  4.029297614184  6.094903841564  -0.096943376449  -0.133479000870  -0.115071498018  -0.000926416211  -0.001908878726  0.001462254619
  15  Al  2.073155582319  6.082137147342  3.997979740501  -0.215142797247  -0.079963996421  -0.013495987284  0.003619474014  0.000465803141  -0.004314011359
  16  Al  4.108400140109  0.062667611114  8.098548143191  -0.022380163815  -0.029009782352  0.159588808076  0.004745848674  0.005109720915  0.000127755046
  17  Al  3.981722494465  1.971053279974  2.016486872996  0.226278841313  0.096211146825  -0.016259910637  -0.005243850263  -0.004276362625  -0.000727056978
  18  Al  6.120193455855  8.047062922801  1.963008676929  -0.215581463732  -0.007681743505  0.102848679964  0.003370425954  -0.004369043633  -0.004939370573
  19  Al  6.093743807474  2.084657171944  8.024189398607  -0.168499441038  -0.207064025042  0.042419337942  0.001267755057  0.004589277928  -0.006181955288
  20  Al  4.067551806912  0.064949760381  4.055921862194  -0.093957352301  -0.211834754614  -0.042354100973  0.001299656824  0.005002202239  0.000418362037
  21  Al  4.063776381363  2.006677893581  6.088713730193  0.032389461318  0.086483761377  0.119654684804  0.001179627125  -0.001378315573  0.001313088343
  22  Al  6.075780303250  0.006243109241  6.082595826828  0.020150723798  0.203918336204  0.071759641818  0.000101096207  0.000834422187  0.000734871501
  23  Al  6.122362943216  2.034544757377  4.034022370701  -0.140508643348  -0.010026864092  0.216904255542  0.003664264552  0.000764590489  -0.000963920790
  24  Al  4.062371960482  4.043062983927  0.066564297732  0.084891678047  -0.070575762450  -0.212889759404  0.001146705559  -0.000675477493  0.005148567528
  25  Al  4.028029059760  6.134767934468  2.081590466164  0.065414429995  -0.106134637115  -0.129560562972  -0.001718926495  0.004728224554  0.004453811990
  26  Al  6.043294754558  4.095691369615  1.983613091505  0.013346289408  0.033159307681  0.097218385293  -0.002597904666  0.003813277646  -0.003263200865
  27  Al  6.050924261380  6.101600166292  0.054514990412  0.024688159740  -0.103655624552  -0.126261847124  -0.001927131495  0.002023734706  0.004303653366
  28  Al  4.062689094004  4.075364892470  4.094534031487  -0.033982962606  -0.003072120810  -0.187538890729  0.000987642301  0.002066161784  0.003346029819
  29  Al  3.998774714198  6.091999969573  6.153880149033  0.261081809410  -0.044207148592  -0.166151314208  -0.003786022250  0.001325082082  0.006193398654
  30  Al  6.089485886114  3.995023895055  6.086529791038  -0.011644739686  0.078290943205  0.000483948693  0.001172681452  -0.004412322950  0.000980028149
  31  Al  6.125207432418  6.052695876055  4.044135158289  -0.106805112752  0.072052329285  -0.140426971995  0.003949921702  -0.001724726488  -0.000698814593


MDSTEP:  26
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -80.939064532975  -0.135710949863  0.034436793773
  -0.135710949863  -81.156852342482  -0.690451257627
  0.034436793773  -0.690451257627  -78.327146812353
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.043439638564  8.083277069251  8.072463606221  0.165563310938  0.017808500681  -0.113830446518  -0.004196711876  -0.001291538231  -0.002351483900
  1  Al  8.074061133651  1.986489138803  1.972699457412  0.147874355570  0.096632487377  0.005353804337  -0.001802592799  -0.002885610349  -0.004110346215
  2  Al  1.992614795757  8.046215652477  1.996889778026  0.065836279343  0.038887127368  0.119114048785  -0.002439883105  -0.004207251408  -0.002021851921
  3  Al  1.990056352243  2.008350128263  8.088843418205  0.022071150718  -0.022462413886  -0.185339191422  -0.002705527551  -0.001347184235  -0.001189953798
  4  Al  0.010134533250  8.058727621816  4.132079349063  0.120242985376  0.024506929825  -0.240790377837  0.000991801824  -0.003216266303  0.006093094738
  5  Al  0.007360730430  2.023902431870  6.106197424610  -0.014287472715  -0.044431973588  -0.090666287633  0.000550851694  -0.000151288231  0.002320727864
  6  Al  2.009515113659  8.092843108897  6.063144186714  -0.058726241322  0.193310439291  0.054902078945  -0.001327966277  -0.000244626612  -0.000856413972
  7  Al  2.020824318274  2.035906135210  4.082760364995  -0.025981923872  -0.078872952120  0.042824957066  -0.000372218093  0.000727958777  0.002654620700
  8  Al  8.077308203915  4.099542403703  8.028881202931  -0.005152596343  -0.138729190110  0.134851608671  -0.001792965388  0.003679093625  -0.005390191142
  9  Al  0.016612497783  6.068171525791  2.020374872736  -0.008869240536  -0.007064012435  0.092369752040  0.001310484437  -0.000545417549  -0.000210447433
  10  Al  2.056636140089  3.992867410976  2.017582149776  -0.082349943863  0.346598662841  0.158286434023  0.002373420340  -0.003928148470  -0.000342271715
  11  Al  2.036877345277  6.092687038224  0.060583644578  -0.108115698649  0.006285779594  0.099937785525  0.000752939122  0.001417338400  0.004958109510
  12  Al  8.071626158809  4.069401784922  4.005285510147  0.194909542663  -0.000172873159  0.173377742970  -0.001926665465  0.001549556372  -0.003238670854
  13  Al  0.004651705504  6.056087236354  6.026737306966  -0.022182315077  0.018796041236  0.098679300607  0.000348849302  -0.001454627820  -0.003646880706
  14  Al  2.015154143030  4.028337208358  6.095629825218  -0.097166400832  -0.136568330427  -0.120552152909  -0.000943769485  -0.001933020763  0.001441190034
  15  Al  2.074955702520  6.082366474550  3.995822131556  -0.221423853254  -0.083905465187  -0.008940721780  0.003580445269  0.000451153329  -0.004316017185
  16  Al  4.110772064061  0.065221174845  8.098619154276  -0.022124210512  -0.032870507278  0.164223773283  0.004741870015  0.005104188862  0.000156703657
  17  Al  3.979110683916  1.968919399265  2.016122617695  0.235430453329  0.100954136641  -0.015594989480  -0.005202573784  -0.004258736191  -0.000729904784
  18  Al  6.121869032418  8.044878057613  1.960543588941  -0.224735277030  -0.004662972941  0.109069685549  0.003331061954  -0.004370147242  -0.004920425224
  19  Al  6.094370153139  2.086942555221  8.021100317093  -0.174827964827  -0.216313142425  0.048751099227  0.001237061834  0.004551428314  -0.006173804716
  20  Al  4.068197435465  0.067441392563  4.056129149999  -0.097021883453  -0.220211696199  -0.042785409779  0.001282583418  0.004963577597  0.000410750626
  21  Al  4.064367642722  2.005992601587  6.089375622886  0.034064962242  0.091325657926  0.122517324549  0.001185568103  -0.001362419539  0.001334738346
  22  Al  6.075831752084  0.006669435411  6.082966470209  0.018028236321  0.209278638095  0.073769538866  0.000104509378  0.000871361699  0.000747881705
  23  Al  6.124188794806  2.034926604424  4.033550105848  -0.147382537157  -0.009409805404  0.223192001923  0.003638527288  0.000762852864  -0.000924576501
  24  Al  4.062949107888  4.042722090469  0.069129065400  0.088376491901  -0.072835134274  -0.223899685103  0.001162195608  -0.000688298324  0.005109518866
  25  Al  4.027172520514  6.137127302564  2.083811580849  0.071354825462  -0.109870232388  -0.135901502766  -0.001706699422  0.004708913874  0.004430079872
  26  Al  6.041996398800  4.097599490647  1.981985836700  0.014892768221  0.031203650426  0.103601423628  -0.002595380114  0.003819031649  -0.003245247719
  27  Al  6.049961799184  6.102607400276  0.056661173236  0.023038683627  -0.108504562862  -0.135896692468  -0.001922864750  0.002004767738  0.004280216581
  28  Al  4.063181396129  4.076397836039  4.096198663475  -0.034224325159  -0.002752758578  -0.191948506801  0.000981544619  0.002065641044  0.003312103918
  29  Al  3.996893373336  6.092660534571  6.156969421456  0.270608439665  -0.046364529122  -0.171125376189  -0.003738489524  0.001316985039  0.006163246361
  30  Al  6.090071706324  3.992821233157  6.087019826745  -0.014536167528  0.085452005493  -0.003861173711  0.001170340897  -0.004397684448  0.000979726228
  31  Al  6.127177619119  6.051836733525  4.043779473958  -0.113184433247  0.074962495588  -0.143689845599  0.003930254794  -0.001711583468  -0.000724214432


MDSTEP:  27
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -80.749980472870  -0.144050656479  0.038799223148
  -0.144050656479  -80.982329181145  -0.739365170937
  0.038799223148  -0.739365170937  -77.949444656423
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.041348683246  8.082632096168  8.071282776091  0.174465687176  0.018769638261  -0.116031869370  -0.004166313529  -0.001288268172  -0.002372033425
  1  Al  8.073166447182  1.985050653065  1.970644523617  0.154780881121  0.099396612945  0.005871622327  -0.001775535639  -0.002868085489  -0.004109342670
  2  Al  1.991397797063  8.044113765014  1.995884176420  0.063984041419  0.045411746542  0.122802536463  -0.002428277261  -0.004199715150  -0.002000224752
  3  Al  1.988704575041  2.007675532084  8.088240156711  0.018349481051  -0.024695819160  -0.188160748477  -0.002701913975  -0.001351400147  -0.001223344424
  4  Al  0.010635808980  8.057120584115  4.135115133189  0.125880031878  0.027113813529  -0.252267599213  0.001013805045  -0.003211651446  0.006049015710
  5  Al  0.007635517632  2.023824801661  6.107353735792  -0.011876708373  -0.047867976552  -0.094671536877  0.000548512635  -0.000159539780  0.002304158796
  6  Al  2.008848505479  8.092729436498  6.062718433832  -0.062052254210  0.198186135182  0.058376143572  -0.001338763788  -0.000209627100  -0.000846286981
  7  Al  2.020637047845  2.036266589006  4.084089589605  -0.030365788420  -0.082620119377  0.041696235649  -0.000377255538  0.000713521413  0.002662176833
  8  Al  8.076411490901  4.101375749371  8.026192135178  -0.003263605456  -0.143736299345  0.141784282582  -0.001793717790  0.003653841414  -0.005365460093
  9  Al  0.017267343549  6.067898501258  2.020273777914  -0.009133719302  -0.006133720003  0.093998531797  0.001308874985  -0.000546597417  -0.000193786242
  10  Al  2.057819169246  3.990918829577  2.017418089265  -0.090496167507  0.355905780587  0.164372708990  0.002357968022  -0.003865345078  -0.000313426220
  11  Al  2.037248982105  6.093395988396  0.063067166516  -0.114160667584  0.006377810472  0.099808705202  0.000733067775  0.001418470515  0.004975966702
  12  Al  8.070671538463  4.070176555381  4.003673924643  0.204190639187  -0.003332217205  0.177656507256  -0.001890986196  0.001549243020  -0.003207288645
  13  Al  0.004825138613  6.055360762621  6.024918277542  -0.022646883497  0.020726030006  0.103861116046  0.000344841604  -0.001451094575  -0.003628773739
  14  Al  2.014677914984  4.027364593421  6.096345031597  -0.102091269670  -0.139572511228  -0.125347445859  -0.000961582977  -0.001957707555  0.001419206787
  15  Al  2.076736027588  6.082588300670  3.993663723316  -0.232415574003  -0.085957814326  -0.005226304592  0.003539872351  0.000435967674  -0.004317283707
  16  Al  4.113142010124  0.067771799976  8.098704846849  -0.024393552731  -0.037030364790  0.170060326791  0.004737711360  0.005097939774  0.000186588415
  17  Al  3.976519920680  1.966794543783  2.015756968213  0.241192634601  0.103648746411  -0.015698723623  -0.005159964023  -0.004240444840  -0.000732702419
  18  Al  6.123524517809  8.042692775559  1.958088251705  -0.228400021750  -0.000831228215  0.114772006588  0.003290551984  -0.004370638419  -0.004900413937
  19  Al  6.094980869308  2.089208600258  8.018015593891  -0.176279784949  -0.227517386641  0.057194816495  0.001205673054  0.004511750184  -0.006164333228
  20  Al  4.068834390330  0.069913337979  4.056332612820  -0.103035901195  -0.228423182459  -0.044295460744  0.001264698396  0.004923469962  0.000402965659
  21  Al  4.064961949465  2.005315474042  6.090048468539  0.032707005104  0.094333641702  0.125965330045  0.001191537468  -0.001345821731  0.001356952517
  22  Al  6.075884812629  0.007114470940  6.083343708534  0.020819782054  0.214145496008  0.076441052693  0.000107982363  0.000909215512  0.000761310424
  23  Al  6.126001470504  2.035307610242  4.033097794199  -0.148771491975  -0.010828971196  0.227455454140  0.003612051331  0.000761043532  -0.000884288943
  24  Al  4.063534156090  4.042374685603  0.071673816597  0.089145920043  -0.074993886438  -0.233735751691  0.001178065984  -0.000701514132  0.005068606587
  25  Al  4.026322360338  6.139476848341  2.086020546036  0.074294268009  -0.111883803686  -0.143310803011  -0.001693678498  0.004689089222  0.004405118493
  26  Al  6.040699374444  4.099510401264  1.980367843787  0.021513039441  0.028891789752  0.109321095216  -0.002592125461  0.003824404138  -0.003226212599
  27  Al  6.049001396630  6.103604934030  0.058795206993  0.026100658061  -0.111396000258  -0.144615664736  -0.001918471728  0.001985108786  0.004255138978
  28  Al  4.063670638623  4.077430533514  4.097846135405  -0.037481308904  -0.002305152455  -0.197394989228  0.000975134187  0.002065188870  0.003277296890
  29  Al  3.995036224674  6.093316954613  6.160043395394  0.276609949985  -0.046554436541  -0.175025503050  -0.003689568594  0.001308678151  0.006132300722
  30  Al  6.090656227011  3.990626210607  6.087509517266  -0.012801968989  0.092850609069  -0.007610881600  0.001167896888  -0.004381744323  0.000978700634
  31  Al  6.129137687213  6.050984292587  4.043410943857  -0.114367350618  0.079923039408  -0.148045189780  0.003909911829  -0.001697736813  -0.000750295334


MDSTEP:  28
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -80.551464505005  -0.151356981421  0.044686057201
  -0.151356981421  -80.801954073866  -0.788069271580
  0.044686057201  -0.788069271580  -77.562681210985
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.039273325035  8.081988801078  8.070091572795  0.178849130435  0.019687524216  -0.118655257797  -0.004134727438  -0.001284830130  -0.002393014286
  1  Al  8.072285598012  1.983621053314  1.968590114741  0.157039915124  0.104796567545  0.006171359702  -0.001747659084  -0.002849830766  -0.004108266036
  2  Al  1.990186518496  8.042015937328  1.994889553274  0.068270941026  0.051918162652  0.126943046479  -0.002416453761  -0.004191013926  -0.001977897677
  3  Al  1.987354438268  2.006998728116  8.087620073781  0.020795240634  -0.024443733356  -0.191200664496  -0.002698414465  -0.001355793188  -0.001257259062
  4  Al  0.011148338294  8.055515970370  4.138128364773  0.127453684320  0.029124315213  -0.263170436841  0.001036452896  -0.003206623798  0.006002935920
  5  Al  0.007909243065  2.023742892089  6.108501583406  -0.014180060265  -0.048748471152  -0.098675056041  0.000546183178  -0.000168177221  0.002286873750
  6  Al  2.008176349871  8.092633481797  6.062297899734  -0.058665785331  0.202158138260  0.061633716851  -0.001349555894  -0.000173836610  -0.000835558185
  7  Al  2.020447062736  2.036619656623  4.085422541828  -0.027998700574  -0.083899328012  0.040690776889  -0.000382473281  0.000698634694  0.002669542173
  8  Al  8.075514486124  4.103196245117  8.023515742838  -0.005917493331  -0.148684269834  0.147904015498  -0.001794538574  0.003627699225  -0.005339562167
  9  Al  0.017921372768  6.067624928374  2.020181086493  -0.013766712266  -0.007548610846  0.095981034495  0.001306827703  -0.000547820607  -0.000176802206
  10  Al  2.058994108111  3.989002065898  2.017268723556  -0.092324037146  0.364872582495  0.170773259435  0.002341624027  -0.003800908011  -0.000283464411
  11  Al  2.037610413052  6.094105508739  0.065559611280  -0.113646249770  0.003865744760  0.098115841838  0.000712702001  0.001419386282  0.004993661014
  12  Al  8.069735172613  4.070951027942  4.002078221503  0.208899166623  -0.006112774897  0.182625067732  -0.001854056265  0.001548398644  -0.003175079731
  13  Al  0.004996547107  6.054636141780  6.023108533227  -0.027403018027  0.019715496820  0.108762970583  0.000340367178  -0.001447479131  -0.003609765298
  14  Al  2.014192560053  4.026379500803  6.097049032005  -0.100501332671  -0.141452003894  -0.130195575826  -0.000979694610  -0.001982830945  0.001396361424
  15  Al  2.078495574871  6.082802442224  3.991504847849  -0.236910108020  -0.090262291820  -0.000194715028  0.003497914973  0.000420213723  -0.004317768342
  16  Al  4.115509775421  0.070319114620  8.098805742692  -0.022750651801  -0.041622844447  0.174914408325  0.004733496702  0.005090908234  0.000217428908
  17  Al  3.973950719893  1.964678954425  2.015389915276  0.251505320629  0.108765333816  -0.015137737970  -0.005115917181  -0.004221455174  -0.000735459176
  18  Al  6.125159584403  8.040507419194  1.955643175004  -0.238499837567  0.002948547295  0.120757765097  0.003248811473  -0.004370449133  -0.004879357745
  19  Al  6.095575826192  2.091454305405  8.014935983865  -0.183469655271  -0.236400748356  0.065550163644  0.001173511713  0.004470276237  -0.006153359915
  20  Al  4.069462133861  0.072364862526  4.056532115658  -0.104645147861  -0.236828764027  -0.044982397540  0.001246131860  0.004881876773  0.000394984283
  21  Al  4.065559180191  2.004646779856  6.090732575402  0.035848119547  0.099654920921  0.128605179386  0.001197666247  -0.001328479294  0.001379710937
  22  Al  6.075939734447  0.007578650923  6.083727780633  0.016829416970  0.218586696048  0.078556691670  0.000111348175  0.000947901459  0.000775167111
  23  Al  6.127800846137  2.035687647957  4.032665816905  -0.157036214849  -0.009703805332  0.232298974158  0.003584712342  0.000759207917  -0.000843187228
  24  Al  4.064127173873  4.042020576337  0.074197671987  0.093788407414  -0.076646059567  -0.244642998126  0.001194420181  -0.000715070634  0.005025839871
  25  Al  4.025478842016  6.141816391787  2.088216699341  0.082165568416  -0.115869215656  -0.150099985523  -0.001679691101  0.004668728266  0.004378887779
  26  Al  6.039404273339  4.101423894785  1.978759624101  0.022388495668  0.026301565804  0.115466176165  -0.002588200696  0.003829338384  -0.003206116778
  27  Al  6.048043327456  6.104592509062  0.060916312214  0.022882110625  -0.116894197912  -0.154516985567  -0.001914092704  0.001964699807  0.004228396735
  28  Al  4.064156530315  4.078463024910  4.099475960366  -0.036348999263  -0.001630352180  -0.201733416240  0.000968533810  0.002064837039  0.003241615098
  29  Al  3.993203804743  6.093969212721  6.163101722178  0.287046765933  -0.049281600704  -0.179212836343  -0.003639178089  0.001300110478  0.006100632069
  30  Al  6.091239603212  3.988439488834  6.087998527380  -0.017292626869  0.101284095877  -0.012113305411  0.001165206452  -0.004364388820  0.000976937306
  31  Al  6.131087530948  6.050138996711  4.043029178623  -0.122405652481  0.082349380269  -0.151219079201  0.003888744493  -0.001683229775  -0.000777049344


MDSTEP:  29
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -80.347190818117  -0.159580188628  0.050376548086
  -0.159580188628  -80.614172768788  -0.838444350265
  0.050376548086  -0.838444350265  -77.165487706086
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.037213955808  8.081347266039  8.068889761805  0.186425295526  0.020651570005  -0.121198661553  -0.004102072167  -0.001281223844  -0.002414457054
  1  Al  8.071418788098  1.982200822300  1.966536257581  0.162584450494  0.108285669129  0.007037667500  -0.001719084896  -0.002830781367  -0.004107085159
  2  Al  1.988981343302  8.039922751088  1.993906278744  0.067709202631  0.059462281042  0.130760548354  -0.002404297234  -0.004181056594  -0.001954859161
  3  Al  1.986006160575  2.006319738896  8.086982897649  0.018606032256  -0.025770534208  -0.193956234330  -0.002694892020  -0.001360282308  -0.001291691811
  4  Al  0.011672261876  8.053913960317  4.141118069109  0.131753285857  0.032212333423  -0.273967844423  0.001059625813  -0.003201140345  0.005954916145
  5  Al  0.008181700811  2.023656624439  6.109640609541  -0.012803911350  -0.051498445452  -0.103247566504  0.000543770831  -0.000177139224  0.002268822012
  6  Al  2.007498949585  8.092555599888  6.061882875646  -0.059650824479  0.206196838726  0.064970123760  -0.001360133314  -0.000137329969  -0.000824239893
  7  Al  2.020254574563  2.036965223700  4.086759131778  -0.030637294829  -0.086692292901  0.039804250392  -0.000387715297  0.000683383926  0.002676738371
  8  Al  8.074616952328  4.105003448596  8.020852573011  -0.004886932630  -0.153668077386  0.154165127367  -0.001795504482  0.003600669143  -0.005312557403
  9  Al  0.018574171253  6.067350680650  2.020096975708  -0.015355416523  -0.007260465801  0.097443387827  0.001304224206  -0.000549144528  -0.000159510202
  10  Al  2.060160793273  3.987117921566  2.017134624854  -0.098946278176  0.373127372607  0.176982110734  0.002324524599  -0.003734931346  -0.000252375332
  11  Al  2.037961684106  6.094815374677  0.068060827530  -0.117466267123  0.002806340907  0.095863457124  0.000692040708  0.001419982762  0.005011002624
  12  Al  8.068817482198  4.071724954026  4.000498844912  0.216964535285  -0.009917748594  0.187506049686  -0.001815984356  0.001546965527  -0.003141990276
  13  Al  0.005165505792  6.053913283489  6.021308512244  -0.028972732923  0.020853475697  0.113936499143  0.000335327227  -0.001443852295  -0.003589856126
  14  Al  2.013698220374  4.025381762477  6.097741393022  -0.103190394151  -0.143573195542  -0.135218847748  -0.000997904504  -0.002008311992  0.001372633566
  15  Al  2.080233942561  6.083008514394  3.989345954974  -0.246091930397  -0.093179523482  0.005609140012  0.003454734938  0.000403814157  -0.004317284296
  16  Al  4.117875506826  0.072862708210  8.098922275757  -0.023993301631  -0.046674384466  0.179187526881  0.004729317827  0.005083014525  0.000249085367
  17  Al  3.971404003500  1.962573088609  2.015021509036  0.258004843784  0.112316269105  -0.014549246044  -0.005070367339  -0.004201690638  -0.000738113171
  18  Al  6.126773329282  8.038322326427  1.953208893960  -0.243299209936  0.007667836787  0.126852559543  0.003205738985  -0.004369500036  -0.004857221561
  19  Al  6.096154381021  2.093678876495  8.011862233976  -0.186023606594  -0.247246006576  0.074300048403  0.001140479281  0.004427038565  -0.006140857406
  20  Al  4.070080522190  0.074795214751  4.056727597103  -0.109479845603  -0.244631332274  -0.045161181068  0.001226989240  0.004838834587  0.000386925512
  21  Al  4.066159615713  2.003986994748  6.091428179476  0.035360282133  0.103419444375  0.131195664124  0.001204032227  -0.001310324591  0.001402936945
  22  Al  6.075996160804  0.008062372399  6.084118875645  0.017536290084  0.222543514138  0.080900747086  0.000114420444  0.000987338182  0.000789422491
  23  Al  6.129586182846  2.036066818159  4.032254606971  -0.159861738655  -0.010361148686  0.236624347461  0.003556381893  0.000757414124  -0.000801265821
  24  Al  4.064728576271  4.041659614969  0.076699656468  0.095072004098  -0.078238991136  -0.255746428255  0.001211304166  -0.000728917246  0.004981105416
  25  Al  4.024642669236  6.144145576608  2.090399433816  0.086783139251  -0.118520295101  -0.157686809454  -0.001664587208  0.004647774013  0.004351371861
  26  Al  6.038111173749  4.103339739647  1.977161727008  0.027909958764  0.023151302774  0.121886726257  -0.002583704050  0.003833759435  -0.003184897600
  27  Al  6.047087303926  6.105569633837  0.063023603728  0.023897566166  -0.120263702800  -0.165090960532  -0.001909910634  0.001943498061  0.004199824014
  28  Al  4.064639172433  4.079495370553  4.101087750503  -0.038619704259  -0.001381909862  -0.205731161028  0.000961831662  0.002064567745  0.003205188058
  29  Al  3.991397046585  6.094617065090  6.166144027463  0.293709596562  -0.050071212138  -0.182644451918  -0.003587258888  0.001291228408  0.006068282288
  30  Al  6.091821433463  3.986261821787  6.088486454572  -0.017604585505  0.109694058563  -0.016860293002  0.001162086667  -0.004345527525  0.000974347087
  31  Al  6.133026431705  6.049301062811  4.042633894513  -0.125432508126  0.086560959127  -0.153966295793  0.003866587939  -0.001668129313  -0.000804332697


MDSTEP:  30
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -80.133768912305  -0.166498038729  0.057487021820
  -0.166498038729  -80.420745191626  -0.888207893938
  0.057487021820  -0.888207893938  -76.760449051158
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.035171252868  8.080707577235  8.067677115742  0.191925587587  0.021328175968  -0.122709060120  -0.004247859807  -0.001333870845  -0.002543822483
  1  Al  8.070566513116  1.980790271947  1.964483029583  0.165814178464  0.112373919105  0.007245539150  -0.001764327209  -0.002935161783  -0.004287078466
  2  Al  1.987782221261  8.037834880733  1.992934694113  0.069030488660  0.067146529770  0.134335290052  -0.002497682109  -0.004353830547  -0.002016419915
  3  Al  1.984659546248  2.005638445808  8.086328381970  0.018257534280  -0.026888184772  -0.195173845077  -0.002810429628  -0.001425253861  -0.001385043448
  4  Al  0.012207964107  8.052314830025  4.144083280917  0.134109465204  0.034813647414  -0.285969870358  0.001131225264  -0.003336213119  0.006165555850
  5  Al  0.008453013896  2.023565752866  6.110770405419  -0.013864859953  -0.053674039892  -0.107069523573  0.000565288722  -0.000194777323  0.002349357523
  6  Al  2.006816216558  8.092496151828  6.061473659841  -0.058297088797  0.209054409623  0.068801518033  -0.001431192789  -0.000104630907  -0.000848142761
  7  Al  2.020059347439  2.037303040549  4.088099280199  -0.031061411319  -0.089136854619  0.037395204941  -0.000410592154  0.000697142135  0.002802121854
  8  Al  8.073718981643  4.106796914259  8.018203185435  -0.006366745463  -0.158234776455  0.161481386028  -0.001875825960  0.003730522661  -0.005517640824
  9  Al  0.019225596974  6.067075783846  2.020021576292  -0.019159452798  -0.007484710043  0.098402081978  0.001358583485  -0.000574765503  -0.000148271093
  10  Al  2.061318632709  3.985267134552  2.017016348225  -0.103841650413  0.381102803878  0.182776560192  0.002408222181  -0.003829422912  -0.000229935511
  11  Al  2.038302453760  6.095525491501  0.070570613904  -0.119295928663  0.001368778337  0.093565716588  0.000700493241  0.001483064311  0.005249919402
  12  Al  8.067919188257  4.072497993469  3.998936231227  0.222738420210  -0.013399733000  0.191250795175  -0.001855114912  0.001613086997  -0.003245352690
  13  Al  0.005331874334  6.053192289485  6.019518677101  -0.032771817303  0.021269667841  0.119825883237  0.000344368203  -0.001503665908  -0.003726526371
  14  Al  2.013194655549  4.024371188811  6.098421665571  -0.103674355815  -0.144552925837  -0.139813664564  -0.001061271737  -0.002123873859  0.001407561682
  15  Al  2.081950309810  6.083206256381  3.987187563553  -0.252943993389  -0.096196340655  0.011161364805  0.003560677338  0.000403964909  -0.004506325654
  16  Al  4.120239093248  0.075402129145  8.099054828058  -0.023406660915  -0.052240616989  0.184272826611  0.004933691197  0.005298194766  0.000294010066
  17  Al  3.968880352554  1.960477263787  2.014651802104  0.266708545309  0.116218683544  -0.014152216054  -0.005245242534  -0.004365861156  -0.000773379822
  18  Al  6.128365323387  8.036137919158  1.950785953443  -0.250059491353  0.012512810443  0.132676403393  0.003301218234  -0.004560528378  -0.005047440400
  19  Al  6.096716305474  2.095881343970  8.008795126459  -0.189883887367  -0.257697394171  0.084869787237  0.001155741555  0.004575356440  -0.006397116534
  20  Al  4.070689123100  0.077203697112  4.056919041170  -0.112348037442  -0.253123866941  -0.046123977882  0.001260453653  0.005006004126  0.000395487033
  21  Al  4.066763212418  2.003336455264  6.092135512348  0.036863411264  0.107488834246  0.133788952688  0.001263931702  -0.001348487540  0.001489611511
  22  Al  6.076054154892  0.008565989105  6.084517203125  0.015994276522  0.225580983747  0.083507698675  0.000122602025  0.001072759603  0.000839622169
  23  Al  6.131357228030  2.036445062081  4.031864551084  -0.164921564274  -0.010399897911  0.239590354574  0.003683077801  0.000788915768  -0.000792188621
  24  Al  4.065338478039  4.041291659091  0.079178777403  0.098388043417  -0.079197845708  -0.266156886208  0.001282841652  -0.000775794862  0.005152302035
  25  Al  4.023814254807  6.146464165800  2.092568071203  0.093834066446  -0.121194405389  -0.165509021343  -0.001721218304  0.004830595392  0.004513314525
  26  Al  6.036820569289  4.105257654220  1.975574726501  0.032015655212  0.019759353318  0.127868984071  -0.002692179987  0.004007024324  -0.003302196129
  27  Al  6.046133416821  6.106536007123  0.065116136228  0.023137302632  -0.124448106004  -0.175536290939  -0.001989842094  0.002006459998  0.004353448728
  28  Al  4.065118361978  4.080527592655  4.102681148423  -0.038684316020  -0.000674978251  -0.210277748443  0.000997080206  0.002155525796  0.003307863295
  29  Al  3.989616545854  6.095260441129  6.169170004466  0.302424556538  -0.051327882128  -0.185893455128  -0.003689988427  0.001338770536  0.006301793525
  30  Al  6.092401689878  3.984093961310  6.088972874467  -0.019717836254  0.119438508433  -0.021410505223  0.001209908541  -0.004515992614  0.001013791787
  31  Al  6.134954118887  6.048470867399  4.042224845926  -0.130942434206  0.090415453099  -0.157020282512  0.004013365015  -0.001725256646  -0.000868873173


MDSTEP:  31
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -79.904310963641  -0.174308975106  0.064895701605
  -0.174308975106  -80.210629597200  -0.941080190458
  0.064895701605  -0.941080190458  -76.326549711756
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.033055901969  8.080041595174  8.066399719450  0.201808925578  0.022590755747  -0.126015046149  -0.004212660225  -0.001329944524  -0.002566058239
  1  Al  8.069691761346  1.979327714129  1.962339814223  0.173127226852  0.116780696783  0.009669051492  -0.001734026091  -0.002914675525  -0.004285566314
  2  Al  1.986536465845  8.035660966886  1.991932488895  0.067993866893  0.076473082338  0.139726127153  -0.002485432230  -0.004340991057  -0.001991919021
  3  Al  1.983255147540  2.004924616986  8.085627136045  0.015631354489  -0.027668235107  -0.198074770289  -0.002807399986  -0.001430131165  -0.001420199591
  4  Al  0.012779571384  8.050648279623  4.147153276092  0.140199371676  0.038821203284  -0.296674559353  0.001155748277  -0.003329630216  0.006113467857
  5  Al  0.008735038503  2.023465964994  6.111940298211  -0.010443297081  -0.055780091462  -0.113247748406  0.000563115590  -0.000204562443  0.002329661318
  6  Al  2.006098014304  8.092453181032  6.061052663863  -0.058808101797  0.212618408463  0.071173582620  -0.001441661909  -0.000066933660  -0.000835629088
  7  Al  2.019852662928  2.037647627231  4.089502012678  -0.034018758244  -0.091425670489  0.036582257811  -0.000416410275  0.000680999975  0.002808735386
  8  Al  8.072780784071  4.108655102552  8.015451583182  -0.003462743575  -0.163677868975  0.167164004194  -0.001876704710  0.003701743902  -0.005488260162
  9  Al  0.019904032296  6.066788066531  2.019951839283  -0.019132167696  -0.007925471437  0.100854224424  0.001355160241  -0.000576143162  -0.000130457723
  10  Al  2.062518102115  3.983369458254  2.016909550516  -0.111398036851  0.388292280716  0.190465742843  0.002388979908  -0.003760639545  -0.000196567918
  11  Al  2.038647367895  6.096267084840  0.073199755959  -0.123172337328  -0.000632175211  0.088902798133  0.000678816753  0.001483130163  0.005266231956
  12  Al  8.067001587128  4.073303938005  3.997322103723  0.232921440054  -0.018281115080  0.196891482246  -0.001814379249  0.001610254752  -0.003210653050
  13  Al  0.005502593547  6.052441407277  6.017660770089  -0.032611257324  0.021661691206  0.124444903651  0.000338523004  -0.001499827876  -0.003704688739
  14  Al  2.012659385474  4.023302790418  6.099119196791  -0.106236636328  -0.146095288623  -0.146282981092  -0.001080037628  -0.002149857600  0.001381984848
  15  Al  2.083719341973  6.083403938893  3.984934899635  -0.262424150566  -0.099820464690  0.019450524836  0.003514603796  0.000386441147  -0.004503588973
  16  Al  4.122704892577  0.078048891391  8.099210070021  -0.026730190683  -0.057693134996  0.187202815608  0.004929208999  0.005288366767  0.000327219721
  17  Al  3.966269653063  1.958299528142  2.014264479594  0.271440574313  0.120554470345  -0.011961690851  -0.005197132390  -0.004344693807  -0.000775714387
  18  Al  6.130004754935  8.033858214287  1.948268163831  -0.254185986406  0.019034092544  0.140668699044  0.003256139051  -0.004557708108  -0.005023003545
  19  Al  6.097285688509  2.098157503210  8.005600361840  -0.191844927829  -0.268377831689  0.094489570569  0.001121615273  0.004528325694  -0.006381081937
  20  Al  4.071314328010  0.079695384629  4.057114722961  -0.119268518070  -0.260769277631  -0.044816377611  0.001239747300  0.004960062448  0.000387357030
  21  Al  4.067396826051  2.002667016206  6.092886298421  0.034325074425  0.111985327626  0.134584807629  0.001270295902  -0.001328866708  0.001513603932
  22  Al  6.076116170842  0.009112452295  6.084940746973  0.016455280855  0.229096184283  0.084301885059  0.000125502992  0.001113407415  0.000854624225
  23  Al  6.133191394996  2.036839055093  4.031479166376  -0.167410450977  -0.010494411641  0.244061050900  0.003653367558  0.000787047832  -0.000748950533
  24  Al  4.065984296775  4.040900221545  0.081743031304  0.097591623117  -0.080836354240  -0.279036673966  0.001300362093  -0.000790101804  0.005103562123
  25  Al  4.022957840004  6.148874046149  2.094817330272  0.096921271844  -0.124282510303  -0.172230121671  -0.001704164914  0.004808649933  0.004483120889
  26  Al  6.035475910384  4.107262049618  1.973929344134  0.038639489157  0.014842864766  0.135884859189  -0.002685863468  0.004010117738  -0.003278616725
  27  Al  6.045139530003  6.107533674337  0.067285014183  0.024280648923  -0.128817901927  -0.188637187431  -0.001985602964  0.001983818199  0.004320891881
  28  Al  4.065615172906  4.081605325381  4.104325680731  -0.042972760034  -0.000750060084  -0.212808091687  0.000989780122  0.002155398398  0.003270039726
  29  Al  3.987785069910  6.095927532059  6.172312591858  0.306874075915  -0.052752692241  -0.190607165106  -0.003635517568  0.001329465807  0.006268134641
  30  Al  6.093005762768  3.981841303861  6.089478813319  -0.020063125999  0.128982065972  -0.028217562001  0.001206352151  -0.004493783993  0.001009355074
  31  Al  6.136954948315  6.047612280614  4.041783390590  -0.134026777303  0.094347431753  -0.157908411787  0.003989676958  -0.001708738977  -0.000897027571


MDSTEP:  32
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -79.664246775743  -0.180789427330  0.074022123997
  -0.180789427330  -79.993929091763  -0.994152651203
  0.074022123997  -0.994152651203  -75.885329654945
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.030958592643  8.079377632711  8.065111057503  0.206493561265  0.022975460813  -0.126991902436  -0.004176158276  -0.001325870937  -0.002588676878
  1  Al  8.068832487025  1.977875596421  1.960197463269  0.175283701589  0.121189464653  0.010537587363  -0.001702878405  -0.002893401164  -0.004283759855
  2  Al  1.985296789032  8.033493889676  1.990942775092  0.070624076724  0.085519381808  0.143966928331  -0.002473039886  -0.004326509047  -0.001966557066
  3  Al  1.981852146263  2.004208314643  8.084908182379  0.016686872273  -0.028359659062  -0.198225978645  -0.002804510759  -0.001435140019  -0.001455628593
  4  Al  0.013363712384  8.048985199808  4.150196748774  0.141485123485  0.041898533696  -0.309445371953  0.001180930668  -0.003322413930  0.006059281171
  5  Al  0.009016129486  2.023361190422  6.113100066736  -0.012263760737  -0.057751435551  -0.118036478891  0.000561085596  -0.000214712080  0.002308984674
  6  Al  2.005374554649  8.092429218168  6.060638030753  -0.054926395021  0.214310205509  0.074613336505  -0.001451829691  -0.000028766550  -0.000822595842
  7  Al  2.019642937164  2.037984040524  4.090908015584  -0.032670616324  -0.093762186377  0.033280161164  -0.000422372257  0.000664444314  0.002814981036
  8  Al  8.071842276933  4.110498658162  8.012714925272  -0.005649623899  -0.168245786923  0.174929182778  -0.001877519349  0.003672070166  -0.005457677278
  9  Al  0.020580757215  6.066499640685  2.019891118569  -0.024207333845  -0.008316780046  0.101931448857  0.001351285721  -0.000577595207  -0.000112328829
  10  Al  2.063707612617  3.981506495007  2.016819780307  -0.114973218939  0.395631597636  0.196845590929  0.002368742480  -0.003690557314  -0.000161942563
  11  Al  2.038981270512  6.097008621663  0.075836845860  -0.122852771200  -0.002775569533  0.085054869469  0.000656822285  0.001482825513  0.005281783647
  12  Al  8.066104809008  4.074108248221  3.995725578177  0.237809102837  -0.022140497129  0.200552702748  -0.001772296277  0.001606641089  -0.003175121826
  13  Al  0.005670397338  6.051692461609  6.015813988363  -0.037383487571  0.021722503015  0.130247054627  0.000332265524  -0.001495949360  -0.003681919461
  14  Al  2.012114617920  4.022221331211  6.099803650419  -0.104545124807  -0.145776504306  -0.151518143386  -0.001098881366  -0.002175950728  0.001355361641
  15  Al  2.085464913606  6.083592697528  3.982683974580  -0.267667996562  -0.103343143310  0.026665985066  0.003467213940  0.000368278467  -0.004499466190
  16  Al  4.125168302247  0.080690495912  8.099382047780  -0.025344952842  -0.064765499929  0.191653873264  0.004924553519  0.005277419054  0.000361089237
  17  Al  3.963683220164  1.956132569980  2.013876087717  0.281138510083  0.124893364094  -0.010612611104  -0.005147732218  -0.004322750947  -0.000777732513
  18  Al  6.131621462438  8.031580211051  1.945762949898  -0.262249894466  0.025056292149  0.147601667664  0.003209970055  -0.004553766459  -0.004997232382
  19  Al  6.097837920747  2.100409669664  8.002414044522  -0.197058663322  -0.279054040785  0.106976923259  0.001086847572  0.004479385678  -0.006363070977
  20  Al  4.071928870400  0.082163759560  4.057306398200  -0.121401420726  -0.269400347123  -0.045245778418  0.001218231581  0.004912665665  0.000379305538
  21  Al  4.068033508320  2.002007588556  6.093649116279  0.036562369179  0.116515988264  0.136125236935  0.001276633188  -0.001308438855  0.001537805215
  22  Al  6.076179657883  0.009679396520  6.085371827350  0.012658139636  0.230872846814  0.086335568338  0.000128105711  0.001154528315  0.000869879091
  23  Al  6.135010595588  2.037232109913  4.031115600551  -0.174135668287  -0.010308924837  0.246056803185  0.003622833580  0.000785188028  -0.000705134350
  24  Al  4.066638840132  4.040501557287  0.084282339526  0.101609438229  -0.081091504970  -0.290312925449  0.001318170525  -0.000804578038  0.005052662678
  25  Al  4.022110089893  6.151272815732  2.097051192092  0.105680022919  -0.127245598981  -0.180269281309  -0.001686052504  0.004786163501  0.004451607696
  26  Al  6.034134705821  4.109267771957  1.972296109776  0.041830697441  0.010485665164  0.142956437165  -0.002678669491  0.004012382090  -0.003253688514
  27  Al  6.044147813858  6.108519825322  0.069437028109  0.021312991404  -0.133322750734  -0.200693769803  -0.001981526925  0.001960383014  0.004286085974
  28  Al  4.066108142100  4.082682991053  4.105951188149  -0.042220434745  0.000165247218  -0.216912320664  0.000982163912  0.002155346116  0.003231623030
  29  Al  3.985981028287  6.096589906936  6.175438139107  0.316375506198  -0.054116609838  -0.193766297866  -0.003579799503  0.001319911768  0.006233771930
  30  Al  6.093608042029  3.979600177317  6.089982229541  -0.024433040255  0.140512313683  -0.034138597918  0.001202374226  -0.004469691389  0.001003780478
  31  Al  6.138943795845  6.046762128422  4.041327818355  -0.141565709713  0.098027974919  -0.160161899807  0.003965039188  -0.001691540754  -0.000925462828


MDSTEP:  33
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -79.417195353924  -0.188024201681  0.082827870485
  -0.188024201681  -79.769445369887  -1.046779905630
  0.082827870485  -1.046779905630  -75.435292864126
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.028879743693  8.078715724237  8.063811042572  0.215620108477  0.024625541791  -0.128368266441  -0.004138421618  -0.001321615442  -0.002611505893
  1  Al  8.067988882941  1.976434312965  1.958056054368  0.181630201540  0.125310692209  0.011194428635  -0.001670970559  -0.002871364228  -0.004281817028
  2  Al  1.984063425960  8.031334457838  1.989965931828  0.067643881248  0.096672840981  0.147557143956  -0.002460678830  -0.004310221194  -0.001940495024
  3  Al  1.980450636780  2.003489476967  8.084171507452  0.012184101191  -0.029573491380  -0.198558589580  -0.002801929715  -0.001440319201  -0.001491100848
  4  Al  0.013960502053  8.047325865693  4.153212557263  0.146554969999  0.046708951813  -0.321689317435  0.001206681245  -0.003314492484  0.006002858184
  5  Al  0.009296124099  2.023251252914  6.114249282885  -0.009632261134  -0.060011405993  -0.122486662493  0.000559128107  -0.000225239994  0.002287482078
  6  Al  2.004646184613  8.092424414482  6.060230068021  -0.056076527298  0.216858222903  0.078808844291  -0.001461753272  0.000009779598  -0.000808880010
  7  Al  2.019430290671  2.038312071545  4.092316993713  -0.037009258874  -0.096257704726  0.030219897222  -0.000428601587  0.000647456673  0.002820657895
  8  Al  8.070903264723  4.112327172718  8.009993905905  -0.003519392552  -0.173982429583  0.182215316939  -0.001878339052  0.003641475210  -0.005425748816
  9  Al  0.021255318017  6.066210471324  2.019839510454  -0.025448814399  -0.008397493278  0.102161409406  0.001346846497  -0.000579089451  -0.000094083075
  10  Al  2.064886844596  3.979678900940  2.016747607952  -0.124427492686  0.400916074850  0.202764183709  0.002347340229  -0.003619346526  -0.000126217737
  11  Al  2.039304190180  6.097749910353  0.078481539605  -0.127841634349  -0.004651522137  0.079669575186  0.000634410385  0.001482161536  0.005296509893
  12  Al  8.065229290851  4.074910579094  3.994146981898  0.246880612496  -0.028000931168  0.204428880957  -0.001728965365  0.001602158481  -0.003138916763
  13  Al  0.005834859071  6.050945457918  6.013978850629  -0.038204222395  0.022194043541  0.137026333391  0.000325508037  -0.001492023252  -0.003658025412
  14  Al  2.011560504108  4.021126839690  6.100474558433  -0.107918441547  -0.146393058079  -0.156248328858  -0.001117875456  -0.002202070477  0.001327847540
  15  Al  2.087186555913  6.083772217360  3.980435433445  -0.278072604495  -0.106576702060  0.035246996218  0.003418425123  0.000349511784  -0.004493931214
  16  Al  4.127629446096  0.083326310445  8.099571159257  -0.027865582845  -0.070802912724  0.195193668947  0.004919796535  0.005265299335  0.000395673128
  17  Al  3.961121920845  1.953976777195  2.013486747081  0.286158453840  0.128831851627  -0.009545831809  -0.005097016277  -0.004300068095  -0.000779534663
  18  Al  6.133214724990  8.029304447828  1.943270931449  -0.264281120789  0.033160482879  0.154144403411  0.003162898561  -0.004548561921  -0.004970256500
  19  Al  6.098372536082  2.102636888888  7.999237290863  -0.196506091700  -0.290370072016  0.119657108606  0.001051663166  0.004428479572  -0.006342810058
  20  Al  4.072532559591  0.084608050295  4.057494028499  -0.127474784767  -0.276747178588  -0.044659295669  0.001195982227  0.004863840470  0.000371268089
  21  Al  4.068673459239  2.001358577352  6.094424103636  0.034416390219  0.120715857696  0.137787707116  0.001282978638  -0.001287230499  0.001562292835
  22  Al  6.076244276553  0.010266980610  6.085810626064  0.014046412003  0.233195461016  0.088670887013  0.000130493078  0.001196015688  0.000885524542
  23  Al  6.136814228576  2.037624243122  4.030774032026  -0.174994689391  -0.010453220021  0.248008007582  0.003591621578  0.000783331907  -0.000660965311
  24  Al  4.067302467300  4.040095643507  0.086795693982  0.101187024816  -0.082307335750  -0.302640027169  0.001336300383  -0.000819185777  0.004999653111
  25  Al  4.021271787500  6.153660209650  2.099268937967  0.110217962615  -0.129684828015  -0.188794650296  -0.001666751380  0.004763194105  0.004418613646
  26  Al  6.032797240892  4.111274431708  1.970675655620  0.050796198424  0.004178583642  0.149814732047  -0.002670388713  0.004013693063  -0.003227514982
  27  Al  6.043158003078  6.109494057350  0.071571100157  0.023796495815  -0.137392018061  -0.214100985267  -0.001977494169  0.001936181308  0.004249003621
  28  Al  4.066597336817  4.083760671498  4.107557303762  -0.045617722665  -0.000184323742  -0.219853281315  0.000974311244  0.002155344411  0.003192576500
  29  Al  3.984205270406  6.097247443828  6.178546363788  0.321087431211  -0.055183538991  -0.196485717585  -0.003522810776  0.001310140414  0.006198883680
  30  Al  6.094208136994  3.977371612472  6.090482593797  -0.023586478291  0.151404344425  -0.039976368726  0.001198081316  -0.004443594250  0.000997154653
  31  Al  6.140919987503  6.045920739860  4.040857927762  -0.143743123717  0.102197216942  -0.161162201990  0.003939532784  -0.001673640766  -0.000954188972


MDSTEP:  34
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -79.158304296865  -0.193278894651  0.094082491583
  -0.193278894651  -79.538523312741  -1.098886485964
  0.094082491583  -1.098886485964  -74.978946794024
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.026820171025  8.078056017269  8.062499551610  0.219822463083  0.025176999484  -0.128973244033  -0.004099493366  -0.001317163130  -0.002634512039
  1  Al  8.067161516466  1.975004232194  1.955915646240  0.183092932000  0.130013672400  0.012687691426  -0.001638364573  -0.002848538413  -0.004279681984
  2  Al  1.982836110202  8.029183668483  1.989002280067  0.070527411838  0.107400191192  0.151954337020  -0.002448326415  -0.004291977211  -0.001913718913
  3  Al  1.979050216548  2.002767995442  8.083417081531  0.013809778327  -0.030112113992  -0.197605124592  -0.002799605881  -0.001445655051  -0.001526517599
  4  Al  0.014570393630  8.045670707324  4.156199606958  0.147126606680  0.050859589840  -0.334706694730  0.001232936167  -0.003305769927  0.005944176853
  5  Al  0.009575257594  2.023135950429  6.115387548814  -0.011689660925  -0.061679571930  -0.127801000163  0.000557221943  -0.000236119079  0.002265106541
  6  Al  2.003912801376  8.092438997765  6.059829150743  -0.050811018418  0.217657620877  0.082276364850  -0.001471308942  0.000048625001  -0.000794479108
  7  Al  2.019214335577  2.038631497196  4.093728673479  -0.035087371592  -0.098055328607  0.026028041658  -0.000435046974  0.000630085227  0.002825686420
  8  Al  8.069963937881  4.114140133371  8.007289176456  -0.006118259617  -0.178689170821  0.190161502180  -0.001879200651  0.003609946623  -0.005392458597
  9  Al  0.021927603712  6.065920551233  2.019797035494  -0.031152908876  -0.009065447543  0.102848942536  0.001341786344  -0.000580650626  -0.000075755297
  10  Al  2.066054952846  3.977887148482  2.016693562570  -0.127585113728  0.406521087652  0.209389924027  0.002324810483  -0.003547162224  -0.000089371456
  11  Al  2.039615680898  6.098490783199  0.081133355754  -0.126460518134  -0.007276675587  0.074033134217  0.000611675956  0.001481095164  0.005310250805
  12  Al  8.064375843643  4.075710406703  3.992586661414  0.251344176844  -0.033095191190  0.207557185108  -0.001684424428  0.001596696532  -0.003102085506
  13  Al  0.005995905375  6.050200438357  6.012155962950  -0.043404156698  0.021997816652  0.143311497875  0.000318212306  -0.001488072532  -0.003632963412
  14  Al  2.010996742464  4.020019260734  6.101131497959  -0.104822709873  -0.145272239252  -0.161780204482  -0.001136894362  -0.002228145144  0.001299416018
  15  Al  2.088883338729  6.083942209312  3.978190043366  -0.282082870656  -0.110507347243  0.043985924806  0.003368347627  0.000330104626  -0.004486847848
  16  Al  4.130088098782  0.085955795248  8.099777720908  -0.026239694461  -0.078316500467  0.198960763410  0.004914959562  0.005251968167  0.000430910251
  17  Al  3.958586203886  1.951832501885  2.013096553054  0.295884466234  0.133469247845  -0.007603090066  -0.005044982059  -0.004276618566  -0.000781067765
  18  Al  6.134784360999  8.027031649129  1.940792693398  -0.272322285354  0.040913246634  0.161458472606  0.003114926603  -0.004541939783  -0.004942041830
  19  Al  6.098889583913  2.104838149236  7.996071234464  -0.201710409058  -0.301096995585  0.133746515774  0.001016062898  0.004375602842  -0.006320155956
  20  Al  4.073124852628  0.087027600030  4.057677666289  -0.129125275690  -0.284910216384  -0.044386735747  0.001173042366  0.004813628703  0.000363307438
  21  Al  4.069316486958  2.000720358058  6.095211409114  0.036615415806  0.125500772600  0.138379573530  0.001289328831  -0.001265218909  0.001586981991
  22  Al  6.076310150962  0.010875412208  6.086257351891  0.009085369785  0.233921953164  0.090317578964  0.000132561043  0.001237775649  0.000901525982
  23  Al  6.138602217165  2.038015441820  4.030454635239  -0.181968990205  -0.010015707269  0.248878363915  0.003559709282  0.000781502000  -0.000616544027
  24  Al  4.067975140515  4.039682371510  0.089281992637  0.105078721780  -0.082234990233  -0.314418197611  0.001354740392  -0.000833895743  0.004944488550
  25  Al  4.020443338513  6.156036009838  2.101469805737  0.119801650861  -0.132725106199  -0.196900827386  -0.001646187792  0.004739734846  0.004384132748
  26  Al  6.031464317108  4.113281465021  1.969068594794  0.054051475251  -0.001718146722  0.157319994017  -0.002661015407  0.004013913025  -0.003200057359
  27  Al  6.042170319688  6.110456006631  0.073686031731  0.020053728952  -0.142106408625  -0.227646729879  -0.001973573991  0.001911194350  0.004209511693
  28  Al  4.067082453343  4.084838335464  4.109143764649  -0.044739657357  0.000379322159  -0.223114534955  0.000966233359  0.002155361844  0.003152975496
  29  Al  3.982458217511  6.097900047350  6.181637022787  0.330496185097  -0.056809926492  -0.199566188732  -0.003464559669  0.001300128279  0.006163476925
  30  Al  6.094806123345  3.975156583066  6.090979384194  -0.029038815162  0.164088227384  -0.046695989171  0.001193376652  -0.004415389441  0.000989406207
  31  Al  6.142883328629  6.045088487656  4.040373629383  -0.152430666732  0.105787336256  -0.162097246375  0.003913055060  -0.001655047096  -0.000983088134


MDSTEP:  35
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -78.893090120852  -0.199342779532  0.105129390012
  -0.199342779532  -79.299877971355  -1.151629179080
  0.105129390012  -1.151629179080  -74.514109523878
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.024780250327  8.077398561107  8.061176530532  0.228261668376  0.025753619607  -0.130718887934  -0.004059434967  -0.001312609970  -0.002657728329
  1  Al  8.066350518368  1.973585774552  1.953776372383  0.188653224094  0.134178124043  0.014472365111  -0.001605130735  -0.002824919857  -0.004277253895
  2  Al  1.981615099544  8.027042480627  1.988052212915  0.069160967128  0.118892985702  0.156528899335  -0.002435838375  -0.004271746764  -0.001886140734
  3  Al  1.977651030899  2.002043821916  8.082644989854  0.011164987132  -0.031230494170  -0.197557500844  -0.002797373155  -0.001451139036  -0.001561844853
  4  Al  0.015193438219  8.044020095766  4.159156734116  0.151652407446  0.055380735983  -0.346366432041  0.001259646796  -0.003296272118  0.005883289406
  5  Al  0.009853346041  2.023015133834  6.116514389426  -0.009453118411  -0.063836984022  -0.133477910169  0.000555331793  -0.000247340169  0.002241748395
  6  Al  2.003174875671  8.092473039483  6.059435588913  -0.049035288385  0.217837705796  0.085501684285  -0.001480235130  0.000087557970  -0.000779479871
  7  Al  2.018995243697  2.038942156772  4.095142680134  -0.037382566257  -0.100498198943  0.022907516610  -0.000441525735  0.000612334685  0.002830061224
  8  Al  8.069024064071  4.115937119341  8.004601447308  -0.004389951023  -0.183387170113  0.196843486706  -0.001880140078  0.003577577258  -0.005357860629
  9  Al  0.022597104360  6.065629820698  2.019763755157  -0.032927261474  -0.009218934959  0.103477127886  0.001336057623  -0.000582285236  -0.000057309895
  10  Al  2.067211655079  3.976131738716  2.016658236496  -0.135310794411  0.411434308983  0.216055618680  0.002301307778  -0.003474037601  -0.000051336931
  11  Al  2.039915866136  6.099231005516  0.083791790411  -0.128826787105  -0.009514440542  0.066100507903  0.000588853455  0.001479594050  0.005322778652
  12  Al  8.063544866423  4.076507275626  3.991044896392  0.259830823980  -0.038631350405  0.211907858394  -0.001638725750  0.001590284231  -0.003064585633
  13  Al  0.006153071378  6.049457385386  6.010345887217  -0.044438538195  0.022436768647  0.149648650603  0.000310359233  -0.001484100112  -0.003606772985
  14  Al  2.010423609746  4.018898694545  6.101773974451  -0.105507267953  -0.143580738721  -0.167432965379  -0.001155697711  -0.002253968393  0.001269984598
  15  Al  2.090554903540  6.084102321986  3.975948585597  -0.290166625635  -0.113705075931  0.055073990079  0.003317188933  0.000310060197  -0.004477991963
  16  Al  4.132544405658  0.088578278612  0.000005821764  -0.028523960049  -0.086366386008  0.200728242113  0.004910063731  0.005237245635  0.000466642160
  17  Al  3.956076938786  1.949700158629  2.012705679316  0.301095210037  0.137421873539  -0.005179342879  -0.004991612506  -0.004252401094  -0.000782210505
  18  Al  6.136329651593  8.024762508045  1.938328889619  -0.275698485266  0.049496715299  0.169083699242  0.003065933940  -0.004533857198  -0.004912491598
  19  Al  6.099388598980  2.107012491730  7.992917134907  -0.202487670679  -0.312425681282  0.147181578701  0.000979927880  0.004320754356  -0.006295041187
  20  Al  4.073705601957  0.089421678997  4.057857335937  -0.134940795988  -0.292877965987  -0.042224591214  0.001149435050  0.004761974855  0.000355564448
  21  Al  4.069962788069  2.000093358442  6.096011085627  0.034540140531  0.129647059136  0.138345680845  0.001295690086  -0.001242408877  0.001611721030
  22  Al  6.076376837596  0.011504756259  6.086712152045  0.007928465119  0.233953012488  0.091651300896  0.000134082068  0.001279603334  0.000917793869
  23  Al  6.140373937858  2.038405745122  4.030157487999  -0.184498961047  -0.010109904684  0.250511192594  0.003526947311  0.000779702785  -0.000571898960
  24  Al  4.068657207692  4.039261747764  0.091740182531  0.104712309788  -0.081727359989  -0.327907766945  0.001373495559  -0.000848553859  0.004887065071
  25  Al  4.019625599708  6.158399944496  2.103653070715  0.125237283185  -0.135181761571  -0.204923247621  -0.001624281487  0.004715784165  0.004348209965
  26  Al  6.030136225486  4.115288344732  1.967475598261  0.061627475390  -0.008293635015  0.165176940062  -0.002650673792  0.004013017979  -0.003171226365
  27  Al  6.041184429087  6.111405251700  0.075780611850  0.020088747966  -0.146205290135  -0.243309470602  -0.001969985282  0.001885419492  0.004167408548
  28  Al  4.067563570176  4.085916033341  4.110710279257  -0.047828414343  0.000874883809  -0.224505417349  0.000957957840  0.002155473969  0.003112958594
  29  Al  3.980740710737  6.098547572106  6.184709840713  0.334964299957  -0.057700078935  -0.202575420027  -0.003405067981  0.001289891167  0.006127525755
  30  Al  6.095401513647  3.972956223030  6.091472000004  -0.030635897928  0.177270097924  -0.053953462592  0.001188041776  -0.004384872253  0.000980408218
  31  Al  6.144833042563  6.044265692764  4.039874839628  -0.156865625980  0.109913560458  -0.161063924451  0.003885404194  -0.001635763591  -0.001011978510


MDSTEP:  36
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -78.616915336187  -0.203319766132  0.118123038137
  -0.203319766132  -79.054564837922  -1.202416015999
  0.118123038137  -1.202416015999  -74.044319694321
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.022760736058  8.076743407300  8.059841823281  0.233785997521  0.026740789102  -0.130609990788  -0.004018128238  -0.001307917007  -0.002681090943
  1  Al  8.065556385731  1.972179312337  1.951638392346  0.191043908180  0.138866319061  0.015790570290  -0.001571186084  -0.002800509880  -0.004274548410
  2  Al  1.980400271827  8.024911921719  1.987116139333  0.070106436508  0.131518198331  0.160762625598  -0.002423387969  -0.004249360185  -0.001857775100
  3  Al  1.976252843393  2.001316856406  8.081855236678  0.010888079194  -0.031733638370  -0.195093411991  -0.002795401627  -0.001456767984  -0.001596947562
  4  Al  0.015830040425  8.042374435206  4.162082896364  0.153037378235  0.060394984370  -0.359869000884  0.001286885843  -0.003285921852  0.005820152466
  5  Al  0.010130589387  2.022888610259  6.117629297209  -0.010287926094  -0.065245065985  -0.138629574072  0.000553566958  -0.000258880012  0.002217422182
  6  Al  2.002432566246  8.092526555735  6.059049670872  -0.044582203965  0.217626151495  0.089145990686  -0.001488604466  0.000126488126  -0.000763866495
  7  Al  2.018772809842  2.039243831881  4.096558734703  -0.036879902571  -0.102224981975  0.017541782971  -0.000448164746  0.000594211378  0.002833677362
  8  Al  8.068083797803  4.117717710630  8.001931315826  -0.005671423053  -0.188548861778  0.205154347298  -0.001881039557  0.003544326445  -0.005321922312
  9  Al  0.023263661335  6.065338265997  2.019739725600  -0.037718680825  -0.009879998019  0.103611304768  0.001329741926  -0.000583992667  -0.000038796338
  10  Al  2.068356260625  3.974413110881  2.016642225639  -0.140473260176  0.415123290058  0.222299225787  0.002276652882  -0.003400143946  -0.000012148324
  11  Al  2.040204534353  6.099970377249  0.086456134405  -0.128666689710  -0.012376859819  0.058840106258  0.000565833723  0.001477636983  0.005333948253
  12  Al  8.062737117892  4.077300690934  3.989522075781  0.265275987273  -0.044680917435  0.214543799928  -0.001591781579  0.001582836174  -0.003026461161
  13  Al  0.006306264607  6.048716338246  6.008549189965  -0.048513978762  0.022091753321  0.156479062651  0.000302049345  -0.001480119294  -0.003579405388
  14  Al  2.009841044754  4.017765292342  6.102401482557  -0.103487978371  -0.141630257033  -0.172826110966  -0.001174381735  -0.002279466050  0.001239565681
  15  Al  2.092200527663  6.084252269509  3.973712051403  -0.295440431866  -0.117568068231  0.065293627285  0.003264836084  0.000289384544  -0.004467231184
  16  Al  4.134998162513  0.091193040883  0.000248115325  -0.028288011684  -0.094233810313  0.203957291817  0.004904984782  0.005221100108  0.000502820756
  17  Al  3.953594591381  1.947580100790  2.012314342549  0.309085696975  0.142024890865  -0.002826635916  -0.004937062772  -0.004227418755  -0.000782926234
  18  Al  6.137850294940  8.022497791932  1.935880201801  -0.281287034354  0.059104739187  0.176740686987  0.003016139836  -0.004524148306  -0.004881575147
  19  Al  6.099869511794  2.109158903593  7.989776193277  -0.205157037465  -0.323182295008  0.163111776124  0.000943484737  0.004263931461  -0.006267301184
  20  Al  4.074274287677  0.091789574885  4.058033230737  -0.137819135621  -0.300422920673  -0.041555528366  0.001125050508  0.004708934183  0.000348074566
  21  Al  4.070612177044  1.999477949181  6.096823130144  0.035129948899  0.134449885936  0.138192057355  0.001301918542  -0.001218798800  0.001636443304
  22  Al  6.076444233030  0.012155015541  6.087175145760  0.004161258061  0.233546639421  0.093068567958  0.000135162880  0.001321397466  0.000934307692
  23  Al  6.142129164476  2.038795144605  4.029882736279  -0.189598934880  -0.009636388805  0.249914133076  0.003493503228  0.000777937480  -0.000527161296
  24  Al  4.069348636074  4.038833817651  0.094169057708  0.107065074986  -0.081345147437  -0.339949528660  0.001392428305  -0.000863132423  0.004827359109
  25  Al  4.018819057026  6.160751794003  2.105818015702  0.133982322968  -0.137993711982  -0.213262352339  -0.001601107441  0.004691362474  0.004310824473
  26  Al  6.028813643316  4.117294482999  1.965897368428  0.067145098726  -0.015808321890  0.172807566664  -0.002639161616  0.004010863281  -0.003141010793
  27  Al  6.040200334406  6.112341426122  0.077853440278  0.017699576515  -0.151193998948  -0.258272714532  -0.001966607033  0.001858832209  0.004122567461
  28  Al  4.068040411183  4.086993809433  4.112256723243  -0.048173961865  0.000954677713  -0.227173640983  0.000949375296  0.002155637530  0.003072578811
  29  Al  3.979053149530  6.099189938517  6.187764548542  0.342617458013  -0.059319409942  -0.205265559285  -0.003344492659  0.001279429708  0.006091065065
  30  Al  6.095994165121  3.970771710814  6.091959792413  -0.034791970373  0.191109157571  -0.061073293595  0.001182192572  -0.004351939412  0.000970124909
  31  Al  6.146768732822  6.043452724065  4.039361650873  -0.164185660419  0.113473177213  -0.160847181123  0.003856702440  -0.001615792978  -0.001040757131


MDSTEP:  37
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -78.333875226995  -0.207957509201  0.131324813268
  -0.207957509201  -78.801332832226  -1.253148234932
  0.131324813268  -1.253148234932  -73.567775415364
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.020762122089  8.076090644100  8.058495439590  0.242763770383  0.027946136913  -0.131175337988  -0.003975525032  -0.001303028035  -0.002704494363
  1  Al  8.064779332283  1.970785264672  1.949501823973  0.196964270285  0.142598088339  0.017494337882  -0.001536498432  -0.002775347165  -0.004271572763
  2  Al  1.979191711575  8.022793120442  1.986194437815  0.066260363502  0.145332599612  0.164710811539  -0.002411196875  -0.004224609922  -0.001828678009
  3  Al  1.974855629273  2.000587053932  8.081048042292  0.006273861534  -0.033208166091  -0.193241135003  -0.002793867361  -0.001462573735  -0.001631664391
  4  Al  0.016480324063  8.040734173914  4.164976886582  0.157594363953  0.066676170829  -0.372416405135  0.001314656097  -0.003274561782  0.005754686678
  5  Al  0.010406913000  2.022756253823  6.118731811608  -0.007307839707  -0.067713282560  -0.144096422946  0.000551993910  -0.000270766392  0.002192146681
  6  Al  2.001686271205  8.092599527609  6.058671722418  -0.044010717760  0.217601587971  0.093146034004  -0.001496524610  0.000165397172  -0.000747569719
  7  Al  2.018547078951  2.039536368150  4.097976357496  -0.041255085066  -0.104923315638  0.012885782921  -0.000455149958  0.000575692470  0.002836397565
  8  Al  8.067143024514  4.119481445786  7.999279524996  -0.003113949327  -0.193858670592  0.212701559222  -0.001881824963  0.003510139486  -0.005284566295
  9  Al  0.023926846286  6.065045828031  2.019724958819  -0.039300090851  -0.009577823537  0.103015077099  0.001322856503  -0.000585732182  -0.000020324088
  10  Al  2.069488307962  3.972731594770  2.016646088172  -0.150398393760  0.417692845655  0.228185185667  0.002250649166  -0.003325690783  0.000028124659
  11  Al  2.040481699859  6.100708642500  0.089125738663  -0.132593073632  -0.014634704307  0.049746750825  0.000542477288  0.001475222169  0.005343655840
  12  Al  8.061953084844  4.078090111800  3.988018435231  0.274100808761  -0.051930205810  0.217738024999  -0.001543561682  0.001574199209  -0.002987815477
  13  Al  0.006455120722  6.047977266092  6.006766481829  -0.048957260465  0.022815752862  0.164046929158  0.000293335486  -0.001476104595  -0.003550750595
  14  Al  2.009249228011  4.016619228495  6.103013540132  -0.105438976311  -0.139698122963  -0.177765879333  -0.001193059655  -0.002304616605  0.001208223010
  15  Al  2.093819739624  6.084391706531  3.971481354413  -0.305014040866  -0.120560445632  0.077178478473  0.003211155886  0.000268096026  -0.004454494281
  16  Al  4.137449390439  0.093799378719  0.000508642520  -0.031040376801  -0.102318480290  0.205450814682  0.004899680866  0.005203528474  0.000539421546
  17  Al  3.951139876014  1.945472739875  2.011922753083  0.313066457397  0.145779218330  -0.000665686703  -0.004881442817  -0.004201689274  -0.000783238445
  18  Al  6.139345791428  8.020238359739  1.933447314472  -0.281745572319  0.069867807985  0.184004975886  0.002965805126  -0.004512618253  -0.004849324744
  19  Al  6.100332083716  2.111276423191  7.986649833723  -0.203384854282  -0.335197195858  0.178770783919  0.000906961386  0.004205072808  -0.006236737129
  20  Al  4.074830652465  0.094130613180  4.058205410503  -0.144038665636  -0.307325293282  -0.039196699874  0.001099852623  0.004654601930  0.000340855374
  21  Al  4.071264706611  1.998874559643  6.097647528931  0.032094795584  0.138198715023  0.138021350306  0.001307928386  -0.001194424211  0.001661136584
  22  Al  6.076512000476  0.012826153725  6.087646459737  0.004433659562  0.233121801418  0.094838193707  0.000135931260  0.001363117289  0.000951106421
  23  Al  6.143867441086  2.039183682602  4.029630326703  -0.189621087389  -0.009997262077  0.249801457516  0.003459601231  0.000776182246  -0.000482487082
  24  Al  4.070049635997  4.038398615341  0.096567541641  0.105576887638  -0.080972701437  -0.353377597223  0.001411438343  -0.000877643522  0.004765376163
  25  Al  4.018024492267  6.163091306971  2.107963895188  0.139209095421  -0.139933215249  -0.222232822973  -0.001576684325  0.004666516007  0.004271891518
  26  Al  6.027497063870  4.119299208013  1.964334587468  0.077378426207  -0.024400598358  0.180444743391  -0.002626241317  0.004007268632  -0.003109430291
  27  Al  6.039217822054  6.113264083910  0.079903179312  0.019453297923  -0.154739814696  -0.274670201924  -0.001963285593  0.001831481946  0.004074922748
  28  Al  4.068512945472  4.088071670872  4.113782858068  -0.051899301605  0.000507097022  -0.228362846033  0.000940428819  0.002155768212  0.003031854177
  29  Al  3.977396218078  6.099827001815  6.190800905777  0.345886929374  -0.059852195265  -0.207215405695  -0.003282940862  0.001268775853  0.006054189563
  30  Al  6.096583706218  3.968604283618  6.092442124913  -0.034941580270  0.204682853814  -0.068435718989  0.001175958442  -0.004316555891  0.000958546897
  31  Al  6.148689745002  6.042649899786  4.038834082497  -0.166996121476  0.118020817869  -0.159329131378  0.003827095027  -0.001595097581  -0.001069380663


MDSTEP:  38
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -78.038439272860  -0.210464877895  0.147004984315
  -0.210464877895  -78.542307566157  -1.302159364877
  0.147004984315  -1.302159364877  -73.088162917952
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.018785211026  8.075440379264  8.057137328918  0.246948755646  0.028052909943  -0.130492586345  -0.003931745084  -0.001298021761  -0.002727887287
  1  Al  8.064019887299  1.969403965173  1.947366819583  0.197894631241  0.147418858959  0.018878096352  -0.001501198331  -0.002749419858  -0.004268321094
  2  Al  1.977989074952  8.020687311796  1.985287461324  0.068027577521  0.158542482389  0.168653754754  -0.002399191630  -0.004197443709  -0.001798875457
  3  Al  1.973458976031  1.999854282671  8.080223572287  0.007146884128  -0.033618294241  -0.189545274932  -0.002792667556  -0.001468547972  -0.001665885221
  4  Al  0.017144696523  8.039099873423  4.167837583042  0.157637947234  0.071779706220  -0.386052800980  0.001342837639  -0.003262183927  0.005686880077
  5  Al  0.010682583297  2.022617843867  6.119821443890  -0.009267901422  -0.068950175921  -0.149329671340  0.000550512050  -0.000282984007  0.002165914599
  6  Al  2.000936041636  8.092691952908  6.058302101153  -0.037366893407  0.215297839081  0.097148603069  -0.001503799710  0.000204098069  -0.000730557515
  7  Al  2.018317659885  2.039819524351  4.099395132268  -0.039506861703  -0.106450379083  0.006536278341  -0.000462370017  0.000556795813  0.002838133883
  8  Al  8.066201972840  4.121227850116  7.996646749532  -0.005485807022  -0.198219788481  0.221293900844  -0.001882593775  0.003475087954  -0.005245767413
  9  Al  0.024586517838  6.064752533815  2.019719401512  -0.045455051278  -0.010343350205  0.102253743291  0.001315279455  -0.000587513121  -0.000001973203
  10  Al  2.070606909791  3.971087420098  2.016670350298  -0.154436645411  0.420642854127  0.234030662942  0.002223397133  -0.003250744175  0.000069446423
  11  Al  2.040747011641  6.101445599418  0.091799790245  -0.130504726354  -0.017902493785  0.040630210794  0.000518956534  0.001472313367  0.005351735475
  12  Al  8.061193556210  4.078874890143  3.986534260304  0.278024468428  -0.058061465524  0.219761230406  -0.001494202080  0.001564366033  -0.002948703359
  13  Al  0.006599600093  6.047240233650  6.004998439370  -0.053947650680  0.022327335233  0.171671322356  0.000284135861  -0.001472068836  -0.003520737625
  14  Al  2.008647985099  4.015460675736  6.103609705566  -0.101302048486  -0.135652937278  -0.182730509162  -0.001211542153  -0.002329232792  0.001175994892
  15  Al  2.095411683549  6.084520365535  3.969257557123  -0.308356586176  -0.124550707217  0.088907838381  0.003156320994  0.000246183266  -0.004439646283
  16  Al  4.139897843379  0.096396569357  0.000787536871  -0.029770789060  -0.111846351778  0.207799609324  0.004894244392  0.005184382293  0.000576365837
  17  Al  3.948713148564  1.943378411516  2.011531104104  0.321973575460  0.150418152204  0.001815001213  -0.004824670695  -0.004175209443  -0.000783135697
  18  Al  6.140816100066  8.017985173679  1.931030877057  -0.288041699322  0.080202314593  0.191453901073  0.002914866554  -0.004499202092  -0.004815758990
  19  Al  6.100776473179  2.113363976401  7.983539456148  -0.206778616055  -0.345975218718  0.196384442410  0.000870293067  0.004144176484  -0.006203198522
  20  Al  4.075374140300  0.096444176815  4.058374086112  -0.145712891864  -0.315267129016  -0.037787946810  0.001073949043  0.004598942615  0.000333973002
  21  Al  4.071920105430  1.998283524970  6.098484266728  0.033548753880  0.143024493942  0.137390321802  0.001313796872  -0.001169283059  0.001685758190
  22  Al  6.076580164289  0.013518132830  6.088126252181  -0.001295465781  0.230766634491  0.096405737375  0.000136211812  0.001404588581  0.000968203491
  23  Al  6.145588765707  2.039571326851  4.029400249197  -0.195679618215  -0.009268644770  0.248030359010  0.003425155625  0.000774459888  -0.000437981276
  24  Al  4.070760074418  4.037956174129  0.098934433871  0.108519806068  -0.079113280740  -0.365901759459  0.001430578434  -0.000891955094  0.004701073106
  25  Al  4.017242372700  6.165418310010  2.110089907220  0.149609725058  -0.142755859852  -0.231174263683  -0.001550864130  0.004641243807  0.004231357250
  26  Al  6.026187401999  4.121301751632  1.962787938137  0.082338341204  -0.032432569601  0.188092755819  -0.002611962753  0.004002187788  -0.003076483304
  27  Al  6.038237048813  6.114172908069  0.081928363027  0.015460500436  -0.159700219955  -0.290923179917  -0.001960164325  0.001803371234  0.004024359107
  28  Al  4.068980840002  4.089149577645  4.115288577420  -0.051182796427  0.001280394264  -0.230222158517  0.000931213353  0.002155928012  0.002990857008
  29  Al  3.975770208668  6.100458714369  6.193818738105  0.353908537061  -0.061485953299  -0.209082584985  -0.003220379651  0.001257928310  0.006016972822
  30  Al  6.097170123563  3.966455154922  6.092918339309  -0.040873871683  0.220465296101  -0.075892851822  0.001169180595  -0.004278547953  0.000945644026
  31  Al  6.150595827849  6.041857626484  4.038292270211  -0.176073583020  0.121375547918  -0.158002181606  0.003796424842  -0.001573695718  -0.001097749854


MDSTEP:  39
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -77.737260345993  -0.214168171885  0.162864576125
  -0.214168171885  -78.275239617463  -1.350759434932
  0.162864576125  -1.350759434932  -72.602461432411
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.016830377005  8.074792622339  8.055767552303  0.255955705776  0.028694088186  -0.130665175062  -0.003886785787  -0.001292948620  -0.002751234603
  1  Al  8.063278133953  1.968035844814  1.945233502880  0.203586601987  0.151374569416  0.020783798454  -0.001465306197  -0.002722707941  -0.004264775349
  2  Al  1.976792519945  8.018595676734  1.984395562358  0.064187610257  0.173152892646  0.172679789495  -0.002387371688  -0.004167790381  -0.001768360483
  3  Al  1.972062961716  1.999118505959  8.079382157071  0.002695351021  -0.034760202431  -0.186637991501  -0.002791787668  -0.001474660961  -0.001699515734
  4  Al  0.017823161702  8.037471989987  4.170663766659  0.161886453404  0.078074020710  -0.398695979237  0.001371402891  -0.003248787111  0.005616724100
  5  Al  0.010957425050  2.022473269816  6.120897726207  -0.006204522291  -0.070838959378  -0.155115284021  0.000549128827  -0.000295481055  0.002138697439
  6  Al  2.000182471495  8.092803625678  6.057941164903  -0.035414730684  0.213244703932  0.101111772049  -0.001510306335  0.000242409464  -0.000712833180
  7  Al  2.018084708933  2.040093163964  4.100814491379  -0.043316815725  -0.108646000175  0.001211529236  -0.000469774395  0.000537566352  0.002838826531
  8  Al  8.065260430739  4.122956533740  7.994033757583  -0.002675995656  -0.203069627968  0.228853709238  -0.001883323435  0.003439212969  -0.005205524541
  9  Al  0.025242125741  6.064458314910  2.019722985616  -0.047149848354  -0.010343843022  0.101429820873  0.001307000643  -0.000589362541  0.000016235961
  10  Al  2.071711705095  3.969480850595  2.016715534595  -0.164302261623  0.422332940425  0.239876411004  0.002194902104  -0.003175382745  0.000111813374
  11  Al  2.041000656394  6.102180955867  0.094477474138  -0.133406796883  -0.020656010025  0.029541501932  0.000495363034  0.001468866264  0.005358008776
  12  Al  8.060458882764  4.079654477833  3.985069731873  0.286728777029  -0.065345776930  0.222797048310  -0.001443713546  0.001553333514  -0.002909138967
  13  Al  0.006739256583  6.046505197256  6.003245744203  -0.054215428592  0.022665124673  0.179485203872  0.000274466160  -0.001468046542  -0.003489344484
  14  Al  2.008037685857  4.014289995703  6.104189535024  -0.102164668317  -0.131922979954  -0.187872288238  -0.001229731931  -0.002353153886  0.001142863269
  15  Al  2.096976060617  6.084637889796  3.967041708129  -0.317141279634  -0.127896481822  0.102588360555  0.003100401935  0.000223614669  -0.004422526661
  16  Al  4.142343634831  0.098983761012  0.001085008357  -0.032873440340  -0.121403106277  0.208198161482  0.004888644043  0.005163529959  0.000613555738
  17  Al  3.946315205319  1.941297530432  2.011139617386  0.325486358373  0.154356065104  0.004722948178  -0.004766788243  -0.004147962847  -0.000782551209
  18  Al  6.142260657982  8.015739157647  1.928631555482  -0.288086939605  0.091883932944  0.199228145459  0.002863361068  -0.004483817705  -0.004780832297
  19  Al  6.101202376783  2.115420599675  7.980446635201  -0.204545808388  -0.357701539715  0.213397257359  0.000833520959  0.004081268289  -0.006166564333
  20  Al  4.075904601508  0.098729555795  4.058539383505  -0.151943265345  -0.322392260819  -0.034471574245  0.001047338796  0.004541936325  0.000327513053
  21  Al  4.072578503483  1.997705276584  6.099333287121  0.029963586917  0.147036501549  0.136114923492  0.001319474829  -0.001143351814  0.001710209362
  22  Al  6.076648212288  0.014230742306  6.088614663228  -0.002036836136  0.228255472049  0.097666775367  0.000135913907  0.001445624827  0.000985553434
  23  Al  6.147292596711  2.039958142490  4.029192345427  -0.195814110133  -0.009318558906  0.246910987341  0.003390156367  0.000772798205  -0.000393733876
  24  Al  4.071480214431  4.037506660247  0.101268614747  0.106455830531  -0.077309172934  -0.380023034070  0.001449797101  -0.000905939149  0.004634387966
  25  Al  4.016473628136  6.167732550778  2.112195252438  0.155195980650  -0.144837333365  -0.240188716110  -0.001523614720  0.004615533183  0.004189217739
  26  Al  6.024885101117  4.123301395801  1.961258104164  0.092768697231  -0.041600822963  0.196187404823  -0.002596308310  0.003995569256  -0.003042128934
  27  Al  6.037257657730  6.115067455143  0.083927538419  0.016388075590  -0.163658147807  -0.309037323932  -0.001957317085  0.001774463228  0.003970723070
  28  Al  4.069444158826  4.090227598884  4.116773715076  -0.055063480948  0.001203508923  -0.230392481633  0.000921715013  0.002156150071  0.002949678390
  29  Al  3.974175838427  6.101084930124  6.196817878600  0.356501764250  -0.062210865788  -0.210768417942  -0.003156869482  0.001246869903  0.005979438445
  30  Al  6.097752886814  3.964325735665  6.093387768939  -0.041873415596  0.236067768195  -0.083947378161  0.001161783048  -0.004237734225  0.000931354425
  31  Al  6.152486169845  6.041076204068  4.037736332643  -0.179571148765  0.125570101530  -0.154969904370  0.003764630459  -0.001551618955  -0.001125729333


MDSTEP:  40
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -77.423120432346  -0.215001507953  0.181018860958
  -0.215001507953  -78.003018137111  -1.396895348609
  0.181018860958  -1.396895348609  -72.114104443649
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.014898425239  8.074147430644  8.054386094315  0.260727071892  0.029008139276  -0.129744724032  -0.004095145585  -0.001373143551  -0.002958407208
  1  Al  8.062554581102  1.966681257232  1.943102044234  0.204877299459  0.156040813655  0.023415316110  -0.001523488612  -0.002873862122  -0.004543227231
  2  Al  1.975601703264  8.016519521415  1.983519100841  0.065649189304  0.188002209253  0.177632536713  -0.002533227713  -0.004409600499  -0.001852172314
  3  Al  1.970667188364  1.998379621711  8.078524056553  0.003662227184  -0.035332533048  -0.181926268122  -0.002976218594  -0.001579081609  -0.001847291209
  4  Al  0.018516099413  8.035851086312  4.173454307142  0.162363186567  0.084249357864  -0.412292443633  0.001493207095  -0.003448640140  0.005911687959
  5  Al  0.011231712123  2.022322362812  6.121960141330  -0.007343158750  -0.072197786372  -0.161573070542  0.000584233122  -0.000328700168  0.002250260033
  6  Al  1.999425735302  8.092934362372  6.057589267973  -0.027992427839  0.210135528759  0.104129497444  -0.001616452224  0.000298834669  -0.000740514530
  7  Al  2.017847885490  2.040357090703  4.102233958800  -0.041442686596  -0.110286661797  -0.005887811069  -0.000508990246  0.000552326061  0.003026535416
  8  Al  8.064318649405  4.124667063085  7.991441224991  -0.004290853807  -0.207574681552  0.237411982970  -0.002008812384  0.003628016150  -0.005506095042
  9  Al  0.025893518482  6.064163171274  2.019735637473  -0.052683885025  -0.010975226414  0.101016793018  0.001384110761  -0.000630457146  0.000036610203
  10  Al  2.072801811895  3.967912037353  2.016782163672  -0.168430429928  0.423444624013  0.246493350142  0.002308660468  -0.003305220623  0.000165587247
  11  Al  2.041242374675  6.102914465683  0.097157799021  -0.130966797777  -0.024075427376  0.018670842405  0.000502993911  0.001561957280  0.005717728185
  12  Al  8.059749842664  4.080428223657  3.983625121337  0.291213490416  -0.072452033513  0.224583783058  -0.001484309367  0.001643151424  -0.003059307467
  13  Al  0.006874066253  6.045772187108  6.001509094885  -0.058313078902  0.022297562745  0.186724402223  0.000281930776  -0.001561061184  -0.003685706052
  14  Al  2.007418253168  4.013107521850  6.104752568835  -0.097460737437  -0.127091390214  -0.193750720130  -0.001330266570  -0.002533809063  0.001182233078
  15  Al  2.098512085483  6.084743980204  3.964835030462  -0.320170562531  -0.131692360386  0.115943421799  0.003245142064  0.000213690434  -0.004694815958
  16  Al  4.144786487422  0.101560099316  0.001401092609  -0.032553323850  -0.131273659645  0.209523805910  0.005206421816  0.005481677375  0.000694040783
  17  Al  3.943946360321  1.939230448669  2.010748552895  0.333147797131  0.158990354745  0.008572862535  -0.005019942289  -0.004393016158  -0.000833150521
  18  Al  6.143679461134  8.013501355974  1.926250044760  -0.293572129824  0.104025837347  0.207813338483  0.002997695438  -0.004762325747  -0.005058900134
  19  Al  6.101609994139  2.117445244689  7.977372891815  -0.207269535242  -0.368690305842  0.232351923696  0.000849509791  0.004282527768  -0.006532787341
  20  Al  4.076421479097  0.100986113139  4.058701599165  -0.154447074335  -0.329513756749  -0.032151430950  0.001087548859  0.004780828762  0.000342869489
  21  Al  4.073239580259  1.997140173156  6.100194476090  0.030220081337  0.151528652345  0.133714552847  0.001412665315  -0.001190671459  0.001849281748
  22  Al  6.076716078196  0.014963757658  6.089111805615  -0.008187639966  0.225001712176  0.098096075411  0.000143947504  0.001584645978  0.001069535964
  23  Al  6.148978922074  2.040344125057  4.029006515321  -0.201510553423  -0.008741190973  0.244149621662  0.003576977814  0.000822296977  -0.000373020028
  24  Al  4.072209871519  4.037050234980  0.103568821837  0.108227547818  -0.075257348381  -0.392784452589  0.001566352839  -0.000980527250  0.004867883127
  25  Al  4.015718757981  6.170033843192  2.114279124959  0.165103141603  -0.147407407498  -0.248437708958  -0.001594066036  0.004893588107  0.004420296891
  26  Al  6.023591093689  4.125297320888  1.959745809203  0.098245656101  -0.051241768442  0.204826328230  -0.002750180726  0.004251541503  -0.003205531804
  27  Al  6.036279731728  6.115947371297  0.085899086096  0.012232111891  -0.168514169063  -0.326784596239  -0.002084317942  0.001860408732  0.004173289260
  28  Al  4.069902555014  4.091305727716  4.118238255810  -0.055256765916  0.001339496273  -0.231547563606  0.000972289152  0.002299300003  0.003101145953
  29  Al  3.972613339186  6.101705584272  6.199798176550  0.363189476832  -0.063509860356  -0.213147376347  -0.003297499444  0.001317526947  0.006335340190
  30  Al  6.098331906611  3.962217420697  6.093849693734  -0.048137027514  0.252684535682  -0.092763207440  0.001230204686  -0.004472017004  0.000976238824
  31  Al  6.154360458309  6.040306007529  4.037166540877  -0.188829608874  0.129078743488  -0.152279060999  0.003979028842  -0.001630184450  -0.001229629951


MDSTEP:  41
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -77.081698154197  -0.216769262700  0.201021843874
  -0.216769262700  -77.704199492726  -1.445322717234
  0.201021843874  -1.445322717234  -71.588360471186
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.012862506853  8.073462155522  8.052901091169  0.268197445787  0.029709582833  -0.128172217923  -0.004047860114  -0.001367894229  -0.002981464797
  1  Al  8.061801994738  1.965251301139  1.940831477274  0.208666592027  0.160398680208  0.026019838072  -0.001486518086  -0.002845572659  -0.004538807764
  2  Al  1.974338023903  8.014323124797  1.982600954794  0.061923829539  0.205079232269  0.182135426103  -0.002521822777  -0.004374459301  -0.001820009317
  3  Al  1.969179242767  1.997588501555  8.077592278910  -0.000192928007  -0.036295295982  -0.176280193678  -0.002975908441  -0.001585485085  -0.001879314609
  4  Al  0.019269960537  8.034130532158  4.176391721798  0.164703390372  0.091808176521  -0.427105656270  0.001522446611  -0.003432900723  0.005836646373
  5  Al  0.011523500448  2.022154785513  6.123078049088  -0.006022944315  -0.073913931552  -0.168253964642  0.000583038202  -0.000341762451  0.002220773733
  6  Al  1.998616257938  8.093093172689  6.057223665259  -0.024501288291  0.206815612478  0.108163272610  -0.001621145124  0.000336109801  -0.000721535709
  7  Al  2.017591537894  2.040628323959  4.103746963325  -0.044615671952  -0.112200268187  -0.013837253999  -0.000516683802  0.000532435890  0.003024772010
  8  Al  8.063314051414  4.126471792647  7.988698789700  -0.003136973739  -0.212759668085  0.246814136054  -0.002009476427  0.003590438562  -0.005462805576
  9  Al  0.026583218911  6.063847452112  2.019758457989  -0.056549647732  -0.011152297463  0.099816325388  0.001374345362  -0.000632435331  0.000054564539
  10  Al  2.073948613349  3.966278354864  2.016875975460  -0.178118633962  0.423520697815  0.252785066920  0.002277679231  -0.003229502533  0.000210222379
  11  Al  2.041488017462  6.103694368160  0.100017497693  -0.132818985988  -0.027578726129  0.006312675375  0.000479411652  0.001557339436  0.005719961693
  12  Al  8.059020705119  4.081246560789  3.982105506418  0.298384198016  -0.080994443304  0.226155006483  -0.001431599758  0.001629433420  -0.003019011744
  13  Al  0.007012425067  6.044992653210  5.999674588373  -0.060342569678  0.022378511716  0.195189242191  0.000271323046  -0.001557067175  -0.003651563247
  14  Al  2.006748763423  4.011834936379  6.105335024786  -0.096897658944  -0.122016814660  -0.199429773246  -0.001347642071  -0.002556079157  0.001147083025
  15  Al  2.100120345007  6.084844938820  3.962492805112  -0.328362130335  -0.135616159190  0.130782678244  0.003187163708  0.000189793245  -0.004672758823
  16  Al  4.147388243208  0.104295070118  0.001757478639  -0.034177630651  -0.141987648447  0.210423940409  0.005200456117  0.005457248011  0.000731583809
  17  Al  3.941451280763  1.937041047402  2.010332360838  0.338299255451  0.163525442079  0.012308241288  -0.004959915406  -0.004364183478  -0.000831283766
  18  Al  6.145165186284  8.011124843018  1.923729883875  -0.293706000612  0.118106390907  0.216503166577  0.002945193196  -0.004742467285  -0.005020966544
  19  Al  6.102025484160  2.119570028250  7.974116884192  -0.204990757480  -0.381167823940  0.253324850276  0.000812654017  0.004215490991  -0.006489368187
  20  Al  4.076958349798  0.103361798374  4.058871596752  -0.159125916827  -0.336404875534  -0.029276584733  0.001059515659  0.004721296116  0.000337377868
  21  Al  4.073947263743  1.996551610703  6.101125093957  0.027891014081  0.156042796891  0.131352353522  0.001417860405  -0.001163174792  0.001872978539
  22  Al  6.076787685963  0.015766138142  6.089650958456  -0.010118538573  0.221160236926  0.099081860850  0.000142310944  0.001624532535  0.001087163530
  23  Al  6.150758403532  2.040754882817  4.028830918707  -0.202192482689  -0.008454015161  0.240517236263  0.003540887053  0.000820759738  -0.000329691159
  24  Al  4.072997885671  4.036556607379  0.105985206077  0.107256296464  -0.072907571589  -0.406824448827  0.001585616940  -0.000993773087  0.004796398667
  25  Al  4.014929105014  6.172474048188  2.116478168328  0.173382557933  -0.149708586439  -0.258195440665  -0.001563805659  0.004867026151  0.004375004252
  26  Al  6.022220394871  4.127420801150  1.958152198965  0.109216665293  -0.062464116113  0.213945766099  -0.002731633744  0.004241376278  -0.003168093880
  27  Al  6.035238119528  6.116870043140  0.087971123573  0.012351615609  -0.172857488108  -0.346252330083  -0.002082120174  0.001829890352  0.004113120243
  28  Al  4.070386229633  4.092455437592  4.119778478694  -0.057690906136  0.000793967878  -0.232279220065  0.000962191712  0.002299490733  0.003059680173
  29  Al  3.970980823903  6.102361508878  6.202956319034  0.367282865649  -0.064561645510  -0.214597917755  -0.003232195742  0.001306077447  0.006297100069
  30  Al  6.098944857246  3.959992707103  6.094333666664  -0.050357174605  0.270451192248  -0.102136270553  0.001221399375  -0.004425249046  0.000958814951
  31  Al  6.156341532114  6.039496685077  4.036544919082  -0.193636885706  0.133250854628  -0.148989810286  0.003944836613  -0.001606732373  -0.001256563172


MDSTEP:  42
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -76.726147285393  -0.216165982390  0.223451828480
  -0.216165982390  -77.398649823393  -1.490348443239
  0.223451828480  -1.490348443239  -71.060881168336
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.010850565125  8.072779536415  8.051404629518  0.274115833782  0.030273870469  -0.126849023978  -0.003999377697  -0.001362531752  -0.003004263513
  1  Al  8.061068063016  1.963835684573  1.938563236470  0.210520940419  0.165163536363  0.027950589481  -0.001449043022  -0.002816467631  -0.004533982847
  2  Al  1.973079880487  8.012145062114  1.981699091524  0.061315630212  0.222622818598  0.186550848486  -0.002510805258  -0.004336223045  -0.001787049030
  3  Al  1.967691279923  1.996794136625  8.076644741944  -0.001209511977  -0.037339307513  -0.170184419862  -0.002976033818  -0.001592067966  -0.001910288296
  4  Al  0.020038546024  8.032418185589  4.179290953515  0.165536549386  0.099243653772  -0.441540692329  0.001551969824  -0.003415820827  0.005758990014
  5  Al  0.011814750325  2.021980600361  6.124180915063  -0.006669902588  -0.075430376689  -0.174204740173  0.000581903471  -0.000355113724  0.002190158172
  6  Al  1.997804590177  8.093270472173  6.056867732264  -0.017393051988  0.202393712149  0.112439521163  -0.001624890448  0.000372692820  -0.000701813978
  7  Al  2.017331201688  2.040889526592  4.105258730809  -0.044215204142  -0.114314083911  -0.022190112726  -0.000524625218  0.000512185670  0.003021551189
  8  Al  8.062309172979  4.128257501647  7.985978419415  -0.004043906026  -0.217807502566  0.256035531943  -0.002010118392  0.003551946167  -0.005417851177
  9  Al  0.027267863843  6.063530735943  2.019790202012  -0.062093104214  -0.011562686362  0.097933673427  0.001363738785  -0.000634466034  0.000072243246
  10  Al  2.075079491126  3.964682534821  2.016992386050  -0.184694442379  0.422882159301  0.258603594640  0.002245244003  -0.003153834726  0.000255940157
  11  Al  2.041721786327  6.104471805119  0.102877760714  -0.131527930113  -0.031176949725  -0.007434548871  0.000455779228  0.001552086721  0.005719861399
  12  Al  8.058318242906  4.082057657076  3.980606109593  0.303415565597  -0.089462962397  0.227698569464  -0.001377799292  0.001614194650  -0.002978437561
  13  Al  0.007145389299  6.044215119934  5.997857531638  -0.063970860063  0.022209974602  0.204468143732  0.000260209515  -0.001553080996  -0.003615834165
  14  Al  2.006070611097  4.010551442693  6.105899651859  -0.092984238663  -0.115822811186  -0.204568327833  -0.001364617376  -0.002577341848  0.001110965885
  15  Al  2.101699249192  6.084933773449  3.960162271639  -0.332730880804  -0.139186599867  0.146660858651  0.003128062469  0.000165226076  -0.004647955570
  16  Al  4.149986943538  0.107017347327  0.002132676418  -0.034634152514  -0.153117139182  0.210755818653  0.005194304393  0.005430865855  0.000769236977
  17  Al  3.938986444915  1.934866265192  2.009917269130  0.345175916044  0.168040573968  0.016057815147  -0.004898813217  -0.004334541714  -0.000828747861
  18  Al  6.146624654329  8.008758888688  1.921229078216  -0.296984904167  0.132742912620  0.225057148349  0.002892385854  -0.004720041538  -0.004981491369
  19  Al  6.102422648156  2.121660735681  7.970883523628  -0.205129881122  -0.393208582893  0.274947377739  0.000775989527  0.004146262298  -0.006442141030
  20  Al  4.077480994756  0.105707409255  4.059038977033  -0.162408822555  -0.343674372699  -0.025838602262  0.001030770685  0.004660497520  0.000332450610
  21  Al  4.074657440664  1.995976998363  6.102067454629  0.027032789786  0.160368662061  0.128699455324  0.001422770554  -0.001134887836  0.001896226984
  22  Al  6.076858389140  0.016588290193  6.090198969145  -0.015518439239  0.216467368826  0.100062239479  0.000140019017  0.001663656128  0.001104966869
  23  Al  6.152519809128  2.041164884795  4.028676824162  -0.206181103459  -0.007967925597  0.236626951388  0.003504378749  0.000819291629  -0.000287034812
  24  Al  4.073795488458  4.036056461893  0.108365220504  0.107941236795  -0.070077076030  -0.421180945384  0.001604855444  -0.001006555811  0.004722375580
  25  Al  4.014154952322  6.174900869343  2.118654129211  0.183671449460  -0.151799319065  -0.267839770233  -0.001531885287  0.004840071561  0.004327977083
  26  Al  6.020859459945  4.129538697166  1.956577715324  0.117548062641  -0.074187790445  0.222522257213  -0.002711361140  0.004229159696  -0.003129073953
  27  Al  6.034197611554  6.117777261649  0.090012206340  0.009466849902  -0.177863592257  -0.366820899731  -0.002080169619  0.001798536139  0.004049372010
  28  Al  4.070864746726  4.093605218449  4.121297935983  -0.058442630738  0.000654415578  -0.232409465072  0.000951809457  0.002299620218  0.003018137339
  29  Al  3.969381143444  6.103011661719  6.206095276618  0.372978037540  -0.065594970628  -0.216129414170  -0.003166016950  0.001294441539  0.006258593355
  30  Al  6.099553305986  3.957792171651  6.094808508685  -0.055620245082  0.289260223574  -0.111226148260  0.001211925070  -0.004375211248  0.000939740505
  31  Al  6.158305294921  6.038699275156  4.035909977706  -0.202265649731  0.137270167130  -0.144653283395  0.003909443211  -0.001582547988  -0.001282814653


MDSTEP:  43
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -76.363500794279  -0.215642963637  0.247067732434
  -0.215642963637  -77.084297601669  -1.534980112011
  0.247067732434  -1.534980112011  -70.527930187476
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.008863129156  8.072099623770  8.049896827656  0.283553339446  0.030620915144  -0.125894695460  -0.003949522474  -0.001357087802  -0.003026858619
  1  Al  8.060352951716  1.962434833508  1.936297494428  0.215823265928  0.168974159702  0.031493324176  -0.001410928157  -0.002786595961  -0.004528668603
  2  Al  1.971827218645  8.009986901752  1.980813905764  0.056906882256  0.240896868349  0.191519556652  -0.002500236250  -0.004294784719  -0.001753249808
  3  Al  1.966203208949  1.995996433589  8.075681990614  -0.005269244632  -0.038644280231  -0.164547684130  -0.002976613014  -0.001598860844  -0.001940213105
  4  Al  0.020821930361  8.030714711331  4.182150711812  0.169271899983  0.107615007108  -0.455539093630  0.001581901458  -0.003397327812  0.005678791727
  5  Al  0.012105403918  2.021799671789  6.125268207260  -0.003216352166  -0.077236709262  -0.181739593629  0.000581019646  -0.000368762052  0.002158337004
  6  Al  1.996991367490  8.093465865509  6.056521851281  -0.013353954060  0.197763832792  0.116063351659  -0.001627639208  0.000408466616  -0.000681385986
  7  Al  2.017066912676  2.041140509629  4.106768514514  -0.047790512651  -0.116628293731  -0.029677086196  -0.000532850463  0.000491539587  0.003016914299
  8  Al  8.061303933022  4.130023738814  7.983280938523  -0.000650911860  -0.222675366025  0.264389482398  -0.002010538105  0.003512567315  -0.005371325556
  9  Al  0.027946957696  6.063212986078  2.019830701235  -0.064129618157  -0.011309437057  0.096535369611  0.001352454564  -0.000636510785  0.000089628639
  10  Al  2.076193857352  3.963124520138  2.017131915616  -0.194936186950  0.421708286479  0.264900100670  0.002211305298  -0.003078328948  0.000302741011
  11  Al  2.041943796689  6.105246454881  0.105737359092  -0.133381597026  -0.034590895988  -0.022444664612  0.000432096507  0.001546207123  0.005717190218
  12  Al  8.057642905827  4.082860755439  3.979127068857  0.312243660781  -0.098703401999  0.230097442093  -0.001322759800  0.001597372713  -0.002937510927
  13  Al  0.007272634583  6.043439572213  5.996058754208  -0.063911253128  0.022588531434  0.213159571446  0.000248776946  -0.001549076042  -0.003578498548
  14  Al  2.005384146047  4.009257594531  6.106445990671  -0.092258269746  -0.109650058572  -0.210686578455  -0.001381177923  -0.002597498960  0.001073842395
  15  Al  2.103248407475  6.085010164895  3.957844849542  -0.340911288538  -0.142635101513  0.164132058737  0.003067839344  0.000140031418  -0.004620170907
  16  Al  4.152582547601  0.109725935973  0.002526715616  -0.038498020231  -0.164558607323  0.209660988377  0.005187766429  0.005402465872  0.000806821937
  17  Al  3.936552467546  1.932706505688  2.009503612978  0.347973621881  0.172199363208  0.020525467385  -0.004836846147  -0.004304124509  -0.000825477341
  18  Al  6.148057572138  8.006404801479  1.918748392505  -0.295794680775  0.148402741847  0.234675190663  0.002839391785  -0.004694907319  -0.004940391629
  19  Al  6.102801473687  2.123716290547  7.967674743162  -0.201947043393  -0.406122643581  0.296356490520  0.000739597143  0.004074802661  -0.006391066875
  20  Al  4.077989120483  0.108022295894  4.059204047362  -0.169051903564  -0.350376305592  -0.021050697351  0.001001138335  0.004598449889  0.000328258741
  21  Al  4.075370034297  1.995416722867  6.103021320940  0.022109493103  0.164371506448  0.125146497259  0.001427163838  -0.001105856298  0.001918920629
  22  Al  6.076927704980  0.017429794271  6.090755925325  -0.017560656652  0.211118639416  0.100218388884  0.000137061770  0.001701882010  0.001122871813
  23  Al  6.154262782281  2.041574174446  4.028543883895  -0.205746935790  -0.008197816294  0.232834889912  0.003467552678  0.000817846423  -0.000245065261
  24  Al  4.074602741115  4.035550051567  0.110707581657  0.104512809074  -0.067098568160  -0.436465878683  0.001623848683  -0.001018819215  0.004645702571
  25  Al  4.013397219726  6.177314119749  2.120806145411  0.190115878437  -0.153598768766  -0.277278213932  -0.001498468969  0.004812769192  0.004279243928
  26  Al  6.019509033731  4.131649960847  1.955023125012  0.129324668896  -0.086562531406  0.232231284203  -0.002689290896  0.004214788733  -0.003088419313
  27  Al  6.033157949909  6.118668579280  0.092020495582  0.009708401779  -0.181932824590  -0.388881305794  -0.002078455366  0.001766370599  0.003981812776
  28  Al  4.071338039090  4.094755057810  4.122796616033  -0.062971144415  0.000101316261  -0.231303116533  0.000940955153  0.002299687779  0.002976681768
  29  Al  3.967814806953  6.103655950417  6.209214912389  0.374511971647  -0.066126033404  -0.217936790979  -0.003099191881  0.001282665776  0.006219788149
  30  Al  6.100156782316  3.955617495854  6.095273407169  -0.057793530667  0.308336069887  -0.121553656836  0.001201785960  -0.004321786570  0.000918930158
  31  Al  6.160250975325  6.037914137089  4.035262104429  -0.206882788811  0.141950405419  -0.138940398427  0.003872865635  -0.001557585870  -0.001308167724


MDSTEP:  44
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -75.987502184695  -0.213802188068  0.272660437424
  -0.213802188068  -76.764648910582  -1.575869204773
  0.272660437424  -1.575869204773  -69.995524474807
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.006901042651  8.071422448613  8.048377770899  0.287126456724  0.030696150659  -0.122443919161  -0.003898504111  -0.001351606100  -0.003049059913
  1  Al  8.059657134860  1.961049088612  1.934034567866  0.215326886852  0.174172478648  0.032976441713  -0.001372383643  -0.002755918899  -0.004522905053
  2  Al  1.970579644237  8.007850277395  1.979945841716  0.056700446663  0.259107351320  0.195169205454  -0.002490079837  -0.004250084701  -0.001718680111
  3  Al  1.964714666909  1.995195275781  8.074704528839  -0.005422999727  -0.039049708036  -0.155771755018  -0.002977568893  -0.001605806631  -0.001968849433
  4  Al  0.021620447483  8.029020857777  4.184969745242  0.167577913046  0.115263409402  -0.471306663801  0.001612015589  -0.003377402642  0.005595932383
  5  Al  0.012395769972  2.021611838309  6.126339252067  -0.006157440945  -0.078099628513  -0.187381688294  0.000580181636  -0.000382649009  0.002125337827
  6  Al  1.996176950969  8.093678938789  6.056186346278  -0.004661031449  0.191699266214  0.121008407706  -0.001629249735  0.000443284337  -0.000660191941
  7  Al  2.016798351225  2.041381066180  4.108275645108  -0.046298288728  -0.117806594274  -0.040312633002  -0.000541261934  0.000470581277  0.003010657268
  8  Al  8.060298634873  4.131770068962  7.980607093860  -0.003449143524  -0.227388966775  0.275293879775  -0.002010904647  0.003472331888  -0.005323078251
  9  Al  0.028620318408  6.062894225158  2.019879830651  -0.071877716469  -0.012241698445  0.093600705888  0.001340295607  -0.000638616240  0.000106626667
  10  Al  2.077290796424  3.961604205872  2.017295127061  -0.200614541395  0.420088717963  0.270047858538  0.002175943348  -0.003003072902  0.000350564973
  11  Al  2.042153882833  6.106018012242  0.108594950932  -0.130782411871  -0.038945701353  -0.036269480966  0.000408480434  0.001539633004  0.005711941216
  12  Al  8.056995483106  4.083655029789  3.977668598666  0.314959990974  -0.107209061432  0.229718166820  -0.001266688245  0.001578964287  -0.002896403742
  13  Al  0.007394166246  6.042666043892  5.994279033090  -0.069235359821  0.021812129680  0.223100839595  0.000236873735  -0.001545106655  -0.003539497181
  14  Al  2.004689433174  4.007953943733  6.106973494255  -0.086905861598  -0.101918760992  -0.215313176842  -0.001397195067  -0.002616413061  0.001035758324
  15  Al  2.104767088535  6.085073804867  3.955542100732  -0.344086725469  -0.147122899122  0.179723170000  0.003006601014  0.000114127262  -0.004589430497
  16  Al  4.155174709968  0.112419813199  0.002939498355  -0.037059914762  -0.176727403871  0.210484106272  0.005181011604  0.005371955148  0.000844382606
  17  Al  3.934149598768  1.930562140683  2.009091791788  0.356352972527  0.177350041075  0.024212767413  -0.004773879857  -0.004272875044  -0.000821477775
  18  Al  6.149464046114  8.004063981369  1.916288686587  -0.299193561701  0.163840012489  0.242877772053  0.002786200265  -0.004666993042  -0.004897698738
  19  Al  6.103162245298  2.125735538342  7.964492456753  -0.202297668194  -0.417719733354  0.320684070408  0.000703457957  0.004001151746  -0.006335903893
  20  Al  4.078482133091  0.110305859144  4.059367235774  -0.170022075962  -0.357262982804  -0.018390488050  0.000970825365  0.004535187446  0.000324732727
  21  Al  4.076084604502  1.994871142065  6.103986375258  0.023137989622  0.169120864910  0.122295441356  0.001431208931  -0.001076042320  0.001941041760
  22  Al  6.076995450910  0.018290172203  6.091321840958  -0.024331798277  0.205075926755  0.101575285301  0.000133316614  0.001739089505  0.001140912022
  23  Al  6.155987361806  2.041982731218  4.028431758900  -0.210474488404  -0.007118122832  0.226595283988  0.003430342783  0.000816477189  -0.000203992535
  24  Al  4.075419337141  4.035037642678  0.113010923075  0.106633807452  -0.063399614329  -0.449616849866  0.001642725039  -0.001030485659  0.004566487413
  25  Al  4.012656483353  6.179713638535  2.122933373139  0.202922664926  -0.156155960955  -0.287765825027  -0.001463331606  0.004785077342  0.004228729397
  26  Al  6.018170169049  4.133753485899  1.953489296010  0.137392129291  -0.098828111018  0.240673785358  -0.002665446606  0.004198214943  -0.003046141940
  27  Al  6.032119156188  6.119543632247  0.093994019116  0.005775968727  -0.187324748667  -0.409135486006  -0.002077071074  0.001733359237  0.003910470650
  28  Al  4.071805701879  4.095904906228  4.124274617751  -0.061803369493  -0.000021629224  -0.232346118276  0.000929800401  0.002299694903  0.002935231860
  29  Al  3.966281951563  6.104294327495  6.212315064767  0.381635714947  -0.067535974814  -0.218188347865  -0.003031592822  0.001270716488  0.006180798875
  30  Al  6.100755091946  3.953470385081  6.095727438843  -0.064300907912  0.328475217944  -0.130655032538  0.001190870805  -0.004264856099  0.000896382882
  31  Al  6.162178160556  6.037141689286  4.034601809982  -0.216567636049  0.145175733750  -0.135139722924  0.003835009472  -0.001531917000  -0.001332670290


MDSTEP:  45
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -75.606040794569  -0.212168196819  0.299778623612
  -0.212168196819  -76.436618521403  -1.615373760735
  0.299778623612  -1.615373760735  -69.458657878414
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.004964625044  8.070748017670  8.046847767743  0.296428758542  0.031619964498  -0.120434187074  -0.003846334695  -0.001346035084  -0.003070773041
  1  Al  8.058980568072  1.959678914609  1.931774589375  0.220198778175  0.178218994170  0.036277368461  -0.001333447962  -0.002724415355  -0.004516713812
  2  Al  1.969337138808  8.005736817050  1.979095225654  0.051210540514  0.278941690203  0.200022908032  -0.002480432672  -0.004201983504  -0.001683350220
  3  Al  1.963225640056  1.994390626958  8.073713141181  -0.010391954658  -0.040246732635  -0.148434522593  -0.002978982739  -0.001612895675  -0.001996045255
  4  Al  0.022433945950  8.027337308689  4.187746644195  0.170751872982  0.124460157338  -0.485714235480  0.001642262029  -0.003355971527  0.005510375404
  5  Al  0.012685585554  2.021417022780  6.127393545087  -0.003120625120  -0.079716227318  -0.194726133588  0.000579352184  -0.000396757633  0.002091177663
  6  Al  1.995362117755  8.093909149846  6.055861659340  -0.000836914462  0.186672366792  0.124878508405  -0.001629741247  0.000477110489  -0.000638209828
  7  Al  2.016525650741  2.041611090906  4.109779171782  -0.050244565131  -0.119859303878  -0.049258474575  -0.000549892796  0.000449334117  0.003002649676
  8  Al  8.059293028374  4.133496070701  7.977957860271  -0.000137260181  -0.232910215229  0.284311037365  -0.002011225269  0.003431181472  -0.005273049975
  9  Al  0.029287253303  6.062574369838  2.019937327902  -0.074348870189  -0.012043349852  0.091763082749  0.001327223055  -0.000640787306  0.000123198056
  10  Al  2.078369800700  3.960121447236  2.017482480590  -0.211615849577  0.416942137076  0.276060583042  0.002139090247  -0.002928242946  0.000399386675
  11  Al  2.042352277124  6.106786087885  0.111449300308  -0.133017589192  -0.042814578903  -0.052141247537  0.000384896904  0.001532323694  0.005704037361
  12  Al  8.056376217581  4.084439719726  3.976230665114  0.323093693118  -0.117277580990  0.231033672988  -0.001209646705  0.001558895342  -0.002855212859
  13  Al  0.007509508318  6.041894465559  5.992519257027  -0.069118781372  0.022024483401  0.232125140211  0.000224504974  -0.001541187693  -0.003498800306
  14  Al  2.003986950980  4.006641181471  6.107481748995  -0.086455801519  -0.095253559083  -0.221009388215  -0.001412693475  -0.002634040124  0.000996751400
  15  Al  2.106255008490  6.085124292157  3.953255419045  -0.352834185559  -0.150762067647  0.197510011578  0.002944296786  0.000087496560  -0.004555706122
  16  Al  4.157763559205  0.115097891121  0.003371098221  -0.040774780909  -0.188258384968  0.209219375380  0.005174053238  0.005339325681  0.000881903795
  17  Al  3.931778587689  1.928433630644  2.008682135202  0.358639134639  0.181675375574  0.029070830143  -0.004709960077  -0.004240778430  -0.000816714260
  18  Al  6.150843772402  8.001737808438  1.913850693767  -0.296563296208  0.181091667436  0.252491713212  0.002732940030  -0.004636156398  -0.004853413062
  19  Al  6.103504931644  2.127717442293  7.961338839269  -0.197592077091  -0.430525731441  0.343774629110  0.000667708101  0.003925319212  -0.006276501764
  20  Al  4.078959945848  0.112557483340  4.059528780089  -0.176242539746  -0.362733633988  -0.013665804366  0.000939869558  0.004470820266  0.000321866918
  21  Al  4.076801243228  1.994340680547  6.104962362701  0.018293425311  0.173070867215  0.117962831404  0.001434912869  -0.001045450626  0.001962520677
  22  Al  6.077061021595  0.019168883775  6.091896837347  -0.026065608927  0.199471122136  0.101542889364  0.000128811122  0.001775255720  0.001159070641
  23  Al  6.157693125064  2.042390651635  4.028339891361  -0.209236084329  -0.007006044089  0.221504459668  0.003392820959  0.000815214499  -0.000163932740
  24  Al  4.076245466153  4.034519565908  0.115274069070  0.102832354576  -0.060408327688  -0.464544974121  0.001661451163  -0.001041554000  0.004484762004
  25  Al  4.011933888120  6.182099197091  2.125034874809  0.209909008616  -0.157769073048  -0.297407950958  -0.001426424752  0.004757012670  0.004176415283
  26  Al  6.016843587125  4.135848175790  1.951976983072  0.150489800737  -0.112664354767  0.250569886405  -0.002639710169  0.004179307669  -0.003002225110
  27  Al  6.031080878835  6.120401938517  0.095930966232  0.006588126047  -0.191494813757  -0.431488597445  -0.002075965733  0.001699493041  0.003835319462
  28  Al  4.072267839491  4.097054752713  4.125731847893  -0.066091805443  -0.001496193750  -0.231325138201  0.000918366665  0.002299559211  0.002893779983
  29  Al  3.964783214131  6.104926666905  6.215395711264  0.382664845752  -0.068146536750  -0.219258464624  -0.002963264902  0.001258586570  0.006141691445
  30  Al  6.101347653121  3.951352639756  6.096169790051  -0.065942946298  0.347687174048  -0.141412185374  0.001179227098  -0.004204407668  0.000872060269
  31  Al  6.164085984797  6.036382220089  4.033929434140  -0.220468803098  0.149510709894  -0.129297623364  0.003795938729  -0.001505572244  -0.001356310798


MDSTEP:  46
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -75.211150618082  -0.208052014885  0.330201368811
  -0.208052014885  -76.103066415312  -1.651460950569
  0.330201368811  -1.651460950569  -68.923521446470
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.003054707956  8.070076413529  8.045306997858  0.300637789468  0.030892627559  -0.118039492127  -0.003792957375  -0.001340446503  -0.003092092416
  1  Al  8.058323686897  1.958324673257  1.929517854054  0.220092640094  0.182364613774  0.038526677841  -0.001294086226  -0.002692179440  -0.004510026384
  2  Al  1.968099211565  8.003648293891  1.978262491496  0.051441273026  0.297505224349  0.203875324322  -0.002471255674  -0.004150449565  -0.001647242009
  3  Al  1.961735684170  1.993582380106  8.072708483584  -0.009410274811  -0.041296408873  -0.140398083343  -0.002980753044  -0.001620185573  -0.002021866682
  4  Al  0.023262709512  8.025664886250  4.190480120645  0.169362675212  0.132178535631  -0.500009108555  0.001672668025  -0.003333028213  0.005422252446
  5  Al  0.012975122155  2.021215080677  6.128430429730  -0.005129784409  -0.081138725474  -0.201089509809  0.000578614603  -0.000411137950  0.002055792029
  6  Al  1.994547209722  8.094156049278  6.055548136450  0.009131021395  0.179192919984  0.129641055828  -0.001628999760  0.000509818582  -0.000615455962
  7  Al  2.016248458430  2.041830400296  4.111278294784  -0.048071151743  -0.121730399761  -0.058730977517  -0.000558682150  0.000427736171  0.002992995496
  8  Al  8.058287409604  4.135201250435  7.975334043885  -0.001717953335  -0.236762258727  0.293552549593  -0.002011391124  0.003389193091  -0.005221389386
  9  Al  0.029947541463  6.062253437852  2.020003028707  -0.081340233328  -0.011989253507  0.088694106013  0.001313304561  -0.000642935803  0.000139330799
  10  Al  2.079429886671  3.958675962926  2.017694513736  -0.216436290191  0.414770164435  0.280924057521  0.002100822694  -0.002853888465  0.000449180701
  11  Al  2.042538779737  6.107550335936  0.114298988293  -0.129177214325  -0.046890965169  -0.068734800388  0.000361456877  0.001524304083  0.005693231129
  12  Al  8.055785836401  4.085213925131  3.974813385807  0.326316756894  -0.125765457763  0.232014357389  -0.001151589878  0.001537167470  -0.002813816699
  13  Al  0.007618671220  6.041124856198  5.990780232784  -0.073321356257  0.022031976856  0.242207121348  0.000211770929  -0.001537249077  -0.003456395343
  14  Al  2.003276739699  4.005319903609  6.107970245655  -0.079871670994  -0.086274981057  -0.225676351948  -0.001427563031  -0.002650268645  0.000956818017
  15  Al  2.107711385322  6.085161301427  3.950986394610  -0.355235694265  -0.154437762619  0.215689416500  0.002880995849  0.000060211915  -0.004518766390
  16  Al  4.160348763206  0.117759138880  0.003821402149  -0.040483114950  -0.201490131849  0.207852340620  0.005166788841  0.005304482444  0.000919189706
  17  Al  3.929439638691  1.926321362253  2.008275077528  0.365855376111  0.186039905054  0.033048487304  -0.004645190789  -0.004207904948  -0.000811160838
  18  Al  6.152196986145  7.999427824972  1.911435273525  -0.299875576117  0.197231678153  0.261159828555  0.002679618824  -0.004602334563  -0.004807492984
  19  Al  6.103829953400  2.129660857554  7.958215954989  -0.198408472625  -0.443038985580  0.367633000362  0.000632305937  0.003847223155  -0.006212902434
  20  Al  4.079422002649  0.114776679410  4.059689102692  -0.177941545735  -0.369674387624  -0.008934291395  0.000908205755  0.004405343516  0.000319846485
  21  Al  4.077519517372  1.993825691440  6.105948895935  0.017948872834  0.177076288027  0.114325072153  0.001438152905  -0.001014147722  0.001983287048
  22  Al  6.077124262033  0.020065427922  6.092480911598  -0.033764611158  0.191999958072  0.102343052474  0.000123462344  0.001810252952  0.001177297897
  23  Al  6.159380182766  2.042797945717  4.028267826160  -0.214021921957  -0.006788163837  0.216000256769  0.003354981998  0.000813981306  -0.000124820133
  24  Al  4.077080788304  4.033996088678  0.117495685079  0.103309352820  -0.055717963507  -0.479248325095  0.001679880083  -0.001051935607  0.004400387562
  25  Al  4.011230058601  6.184470651205  2.127109788421  0.222058410173  -0.159473650650  -0.307997002478  -0.001387807175  0.004728651399  0.004122292516
  26  Al  6.015530458881  4.137932793568  1.950487070901  0.158077393178  -0.125168231801  0.259393962934  -0.002612124483  0.004158045607  -0.002956634709
  27  Al  6.030043190455  6.121243125288  0.097829338578  0.001691945553  -0.195969975002  -0.454116886954  -0.002075225500  0.001664853968  0.003756146969
  28  Al  4.072724068544  4.098204465440  4.127168397734  -0.065908633651  -0.001377372860  -0.230154870320  0.000906565920  0.002299302316  0.002852524002
  29  Al  3.963318686661  6.105552914064  6.218456756212  0.388253119952  -0.068863576377  -0.219323980331  -0.002894345391  0.001246337964  0.006102482490
  30  Al  6.101934319044  3.949265977413  6.096599499112  -0.073405209720  0.368913726094  -0.151294153765  0.001166769473  -0.004140344063  0.000845892533
  31  Al  6.165974099285  6.035636117042  4.033245499184  -0.230655917138  0.153651034049  -0.123132833500  0.003755608503  -0.001478469802  -0.001378877899


MDSTEP:  47
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -74.811526935762  -0.205096964433  0.361289693218
  -0.205096964433  -75.762281026710  -1.685614366660
  0.361289693218  -1.685614366660  -68.384880521560
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  8.001171667669  8.069407571167  8.043755675327  0.307986480259  0.030749341190  -0.114620989280  -0.003738546804  -0.001334935756  -0.003112892096
  1  Al  8.057686481846  1.956986735170  1.927264562991  0.222868209670  0.186882521415  0.041736617563  -0.001254485845  -0.002659169012  -0.004502850903
  2  Al  1.966865883134  8.001586367485  1.977447983645  0.047060655392  0.317056728715  0.208341025618  -0.002462449672  -0.004095508169  -0.001610390164
  3  Al  1.960244887012  1.992770441385  8.071691274499  -0.012845978420  -0.041895792097  -0.131317196732  -0.002982742737  -0.001627622896  -0.002046157832
  4  Al  0.024106613975  8.024004280476  4.193168896641  0.170485047161  0.140842537352  -0.515171232333  0.001703050166  -0.003308620325  0.005331496054
  5  Al  0.013264200157  2.021005884830  6.129449337116  -0.003926680944  -0.082048123437  -0.208297584702  0.000577804962  -0.000425726737  0.002019193118
  6  Al  1.993733117995  8.094418968428  6.055246203378  0.014882532266  0.172251894405  0.133833720552  -0.001626852966  0.000541237496  -0.000591901506
  7  Al  2.015966968591  2.042038827077  4.112772167279  -0.050480714696  -0.122999395411  -0.069098459343  -0.000567492616  0.000405857504  0.002981567637
  8  Al  8.057281637250  4.136885263792  7.972736470886  -0.000002973321  -0.241183395655  0.303641354779  -0.002011544974  0.003346465093  -0.005168000680
  9  Al  0.030600557864  6.061931434035  2.020076658701  -0.085595318660  -0.012429994277  0.086088597676  0.001298380643  -0.000645118866  0.000154956247
  10  Al  2.080470623394  3.957267558771  2.017931661290  -0.225944152093  0.411612213672  0.286292844715  0.002061274201  -0.002780010475  0.000499889484
  11  Al  2.042713734001  6.108310391968  0.117142531437  -0.129706982614  -0.051619228618  -0.084812579774  0.000338312816  0.001515497342  0.005679504104
  12  Al  8.055224627703  4.085976887195  3.973416848416  0.332479089761  -0.135216320539  0.232030335012  -0.001092694004  0.001513835886  -0.002772331437
  13  Al  0.007721279246  6.040357216481  5.989062861684  -0.074639378994  0.021671268550  0.251702204509  0.000198543345  -0.001533342039  -0.003412240205
  14  Al  2.002559387949  4.003990912826  6.108438567012  -0.077710009953  -0.077856820027  -0.231046056596  -0.001441650720  -0.002664941910  0.000915987362
  15  Al  2.109136004338  6.085184504072  3.948736652654  -0.362273124996  -0.158695865443  0.233393750412  0.002816851076  0.000032217994  -0.004478618678
  16  Al  4.162930348046  0.120402373565  0.004290287927  -0.042809695877  -0.214281244976  0.206887952877  0.005159342524  0.005267312782  0.000956267190
  17  Al  3.927133396900  1.924225725696  2.007870974365  0.369504141626  0.190944619471  0.037916828563  -0.004579450177  -0.004174202803  -0.000804816590
  18  Al  6.153523391227  7.997135473875  1.909043200783  -0.298041635342  0.214498714675  0.270735045076  0.002626165456  -0.004565526162  -0.004759941965
  19  Al  6.104137237581  2.131564665448  7.955125936835  -0.194484038233  -0.455210744720  0.392678503058  0.000597181629  0.003766920275  -0.006144931132
  20  Al  4.079868151603  0.116962826857  4.059848626575  -0.182372054605  -0.375569303024  -0.004723643716  0.000875993979  0.004338719267  0.000318625476
  21  Al  4.078239396132  1.993326532825  6.106945649749  0.014335061031  0.181427384332  0.109701155197  0.001441039065  -0.000982097752  0.002003314832
  22  Al  6.077184483939  0.020979136728  6.093074135245  -0.037061463007  0.184609473083  0.102378850739  0.000117130544  0.001843921565  0.001195599888
  23  Al  6.161048107062  2.043204632942  4.028215071227  -0.213916770720  -0.006085421214  0.209138610684  0.003316724587  0.000812830417  -0.000086813024
  24  Al  4.077925346236  4.033467630302  0.119674456632  0.100592791959  -0.051447973474  -0.493049403016  0.001698108788  -0.001061516164  0.004313464845
  25  Al  4.010546080945  6.186827848490  2.129157167324  0.231014137486  -0.161587806053  -0.318117590924  -0.001347302816  0.004699948736  0.004066318322
  26  Al  6.014231462642  4.140006221397  1.949020348363  0.170220470020  -0.138743807559  0.269136616861  -0.002582774891  0.004134452060  -0.002909384455
  27  Al  6.029005653334  6.122066792485  0.099687113201  0.001195190958  -0.200732526084  -0.476288253245  -0.002074967392  0.001629389050  0.003672969419
  28  Al  4.073174405412  4.099354055030  4.128584371895  -0.068637037654  -0.002205528598  -0.229690152918  0.000894537634  0.002298982007  0.002811414188
  29  Al  3.961888868740  6.106173004869  6.221498193754  0.390347619119  -0.069868749064  -0.219752140823  -0.002824739045  0.001233935394  0.006063229401
  30  Al  6.102514422594  3.947212295693  6.097015682584  -0.076480122575  0.389790043497  -0.162142829686  0.001153369832  -0.004072516492  0.000817871492
  31  Al  6.167841593300  6.034903750287  4.032550556241  -0.236043294002  0.157341299913  -0.117505900803  0.003713885930  -0.001450667311  -0.001400390829


MDSTEP:  48
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -74.400142762243  -0.199856927442  0.394979204877
  -0.199856927442  -75.415922662760  -1.715323879297
  0.394979204877  -1.715323879297  -67.848227503310
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.999316161152  8.068741477773  8.042194105762  0.313685209826  0.030806624941  -0.111448018849  -0.003682969802  -0.001329432697  -0.003133102502
  1  Al  8.057069201052  1.955665504245  1.925015003151  0.223713578863  0.191333980640  0.044522715998  -0.001214561755  -0.002625356729  -0.004495139381
  2  Al  1.965636761892  7.999552785722  1.976652101332  0.045513202200  0.337180627324  0.212943673842  -0.002454173636  -0.004037019820  -0.001572727615
  3  Al  1.958752941433  1.991954757210  8.070662325751  -0.013534133645  -0.042853836303  -0.121957651599  -0.002985101100  -0.001635199452  -0.002068800422
  4  Al  0.024965759678  8.022356265924  4.195811616699  0.170142186062  0.149558077723  -0.529923987052  0.001733501996  -0.003282658719  0.005238065294
  5  Al  0.013552927117  2.020789353940  6.130449622848  -0.004810347827  -0.083023478040  -0.215024992941  0.000577023877  -0.000440484019  0.001981348384
  6  Al  1.992920356756  8.094697286773  6.054956234944  0.023709973770  0.164805098065  0.138028856010  -0.001623402824  0.000571370148  -0.000567597188
  7  Al  2.015680965814  2.042236257800  4.114259862421  -0.049711013002  -0.124855918839  -0.079662092496  -0.000576449684  0.000383699417  0.002968268551
  8  Al  8.056275864630  4.138547715528  7.970166043205  -0.000293880042  -0.245822553007  0.313324281092  -0.002011571512  0.003302927112  -0.005112844397
  9  Al  0.031245922105  6.061608318986  2.020157984954  -0.091441575886  -0.012657153781  0.083263792031  0.001282553672  -0.000647361639  0.000170096229
  10  Al  2.081491160872  3.955895952452  2.018194403219  -0.232508415228  0.407634282668  0.291329500986  0.002020288871  -0.002706770428  0.000551528506
  11  Al  2.042877092554  6.109065833278  0.119978492397  -0.127459219446  -0.056107300730  -0.101951598720  0.000315322343  0.001505866668  0.005662807520
  12  Al  8.054693142397  4.086727761018  3.972041054370  0.336469341349  -0.144644239419  0.232292603309  -0.001032890495  0.001488816554  -0.002730821301
  13  Al  0.007817214565  6.039591514160  5.987367992580  -0.077483475780  0.021352601290  0.261455243294  0.000184943672  -0.001529495736  -0.003366364298
  14  Al  2.001835088979  4.002654961699  6.108886233017  -0.072640276456  -0.068895717092  -0.236103134167  -0.001455091928  -0.002678061481  0.000874224561
  15  Al  2.110528236398  6.085193519421  3.946507775932  -0.366092954905  -0.162299404177  0.251823906627  0.002751735673  0.000003521248  -0.004435240569
  16  Al  4.165508105730  0.123026451662  0.004777669339  -0.044124001162  -0.226981718728  0.205387620319  0.005151570714  0.005227864191  0.000993124329
  17  Al  3.924860188514  1.922147159450  2.007470260938  0.374817835524  0.195621647212  0.042850765902  -0.004512908328  -0.004139644057  -0.000797596025
  18  Al  6.154823151601  7.994862298810  1.906675331560  -0.298946573604  0.232329820048  0.280317719589  0.002572795140  -0.004525580012  -0.004710678245
  19  Al  6.104427135029  2.133427777829  7.952071023857  -0.192779657604  -0.467233811088  0.417851993115  0.000562560534  0.003684454396  -0.006072470289
  20  Al  4.080297996627  0.119115398677  4.060007728167  -0.185400347461  -0.381469871199  -0.000100425836  0.000843115391  0.004271040509  0.000318194207
  21  Al  4.078960556437  1.992843593688  6.107952210767  0.012326322526  0.185369802894  0.104799838721  0.001443422574  -0.000949306347  0.002022491066
  22  Al  6.077241392576  0.021909349487  6.093676511486  -0.043314236323  0.177040648506  0.102160705145  0.000109945014  0.001876252825  0.001213885577
  23  Al  6.162696907353  2.043610776134  4.028181013136  -0.216792571178  -0.005406516465  0.202363379021  0.003278219482  0.000811803046  -0.000050025043
  24  Al  4.078778897092  4.032934572514  0.121809149924  0.099471248189  -0.047285058837  -0.507079373268  0.001715994369  -0.001070342826  0.004224054052
  25  Al  4.009882755786  6.189170599941  2.131176106743  0.241828953999  -0.163087957255  -0.327859459700  -0.001305030984  0.004670922956  0.004008568438
  26  Al  6.012947683990  4.142067245629  1.947577686446  0.179855707358  -0.152940558559  0.278640353813  -0.002551478332  0.004108375688  -0.002860413588
  27  Al  6.027968223063  6.122872514338  0.101502307996  -0.001915669863  -0.205741902735  -0.499178118778  -0.002075031803  0.001593050528  0.003585763427
  28  Al  4.073618606178  4.100503447447  4.129979811922  -0.069512240471  -0.003031951820  -0.228673522880  0.000882187188  0.002298513780  0.002770436805
  29  Al  3.960493947616  6.106786849458  6.224519985613  0.394049255683  -0.070663236795  -0.220433321308  -0.002754614529  0.001221371936  0.006023877137
  30  Al  6.103087688876  3.945193460922  6.097417370603  -0.082192332867  0.410854148249  -0.172945141238  0.001139184629  -0.004000939477  0.000787914868
  31  Al  6.169687985215  6.034185449730  4.031845108355  -0.244629892598  0.161114825308  -0.111016109984  0.003670914093  -0.001422197563  -0.001420820532


MDSTEP:  49
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -73.985730259750  -0.195005958602  0.430305956527
  -0.195005958602  -75.062221547740  -1.743653843936
  0.430305956527  -1.743653843936  -67.308806782117
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.997488697867  8.068078138470  8.040622572825  0.322893777698  0.030994700719  -0.109075966024  -0.003626060098  -0.001323907703  -0.003152817188
  1  Al  8.056471920091  1.954361378441  1.922769423610  0.227957419734  0.195377973605  0.048489948711  -0.001174182692  -0.002590784958  -0.004486824116
  2  Al  1.964411709498  7.997549347665  1.975875256030  0.040204927019  0.357789452031  0.217970870812  -0.002446510497  -0.003974889995  -0.001534204165
  3  Al  1.957259785912  1.991135241933  8.069622474077  -0.017385177431  -0.043660743769  -0.113691190457  -0.002987865264  -0.001642933793  -0.002089867259
  4  Al  0.025840115971  8.020721621757  4.198406961935  0.172599576325  0.159231397021  -0.543645712331  0.001764142863  -0.003255053163  0.005142088935
  5  Al  0.013841224035  2.020565400811  6.131430685500  -0.001808178393  -0.083907101429  -0.222991600080  0.000576432186  -0.000455407493  0.001942190016
  6  Al  1.992109715171  8.094990338576  6.054678606190  0.029181113663  0.157833929328  0.141647618530  -0.001618674398  0.000600213845  -0.000542594312
  7  Al  2.015390518907  2.042422526494  4.115740435829  -0.052900021028  -0.126580640236  -0.088718741755  -0.000585623037  0.000361221169  0.002953215425
  8  Al  8.055270065738  4.140188190904  7.967623626489  0.003544957581  -0.250614253939  0.321770118132  -0.002011280868  0.003258546019  -0.005056067414
  9  Al  0.031883111536  6.061284072396  2.020246754930  -0.093791007784  -0.012685153613  0.080786838440  0.001265994012  -0.000649627223  0.000184762237
  10  Al  2.082490912266  3.954560788344  2.018483189796  -0.242801290025  0.403116756593  0.296603657187  0.001977796526  -0.002634289868  0.000604089307
  11  Al  2.043029056344  6.109816258636  0.122805338957  -0.128695422871  -0.060803054827  -0.120144302229  0.000292422302  0.001495414966  0.005642952307
  12  Al  8.054191737208  4.087465703749  3.970686027115  0.344076465077  -0.155038586706  0.233653054826  -0.000972050190  0.001462025125  -0.002689166094
  13  Al  0.007906222918  6.038827720746  5.985696497386  -0.076892592535  0.021270990548  0.270818569895  0.000171142562  -0.001525685217  -0.003318779402
  14  Al  2.001104296021  4.001312851344  6.109312791572  -0.071104430074  -0.060697980569  -0.241794521937  -0.001467942601  -0.002689647064  0.000831500854
  15  Al  2.111887740011  6.085188025320  3.944301412085  -0.373858829707  -0.165966746250  0.271539637594  0.002685584516  -0.000025825510  -0.004388452245
  16  Al  4.168081918759  0.125630237756  0.005283412257  -0.048561238853  -0.239278196175  0.202373130987  0.005143284720  0.005186180890  0.001029577847
  17  Al  3.922620488572  1.920086081639  2.007073378340  0.376127541867  0.200253768134  0.048204684885  -0.004445774352  -0.004104253080  -0.000789455733
  18  Al  6.156096186366  7.992609893863  1.904332522539  -0.295452694044  0.251187473983  0.290658620509  0.002519656273  -0.004482353914  -0.004659633371
  19  Al  6.104699798115  2.135249119844  7.949053466546  -0.187712776921  -0.479675157533  0.442109348515  0.000528544784  0.003599801415  -0.005995590364
  20  Al  4.080711266994  0.121233867366  4.060166820782  -0.191669034994  -0.386460334701  0.006041235502  0.000809405659  0.004202388102  0.000318725311
  21  Al  4.079682818706  1.992377226478  6.108968140815  0.006402130665  0.189245770728  0.099286831699  0.001445096884  -0.000915815984  0.002040736268
  22  Al  6.077294428953  0.022855389553  6.094288020822  -0.045971335632  0.169469788894  0.101243757441  0.000101962948  0.001907230609  0.001232069790
  23  Al  6.164326326544  2.044016435988  4.028165046185  -0.215194754635  -0.005175833384  0.196369026588  0.003239600126  0.000810856992  -0.000014378653
  24  Al  4.079641340606  4.032397287475  0.123898510685  0.094414543655  -0.043540337048  -0.522092806855  0.001733327619  -0.001078462551  0.004132046800
  25  Al  4.009241049961  6.191498771446  2.133165735762  0.248682562041  -0.164641043228  -0.337327486304  -0.001261179607  0.004641624219  0.003949101204
  26  Al  6.011679984309  4.144114597085  1.946159934775  0.192966231822  -0.167746241546  0.288896875002  -0.002518148319  0.004079706519  -0.002809676168
  27  Al  6.026930621532  6.123659843013  0.103272876627  -0.001571954519  -0.210255163763  -0.523537551454  -0.002075343594  0.001555860690  0.003494333382
  28  Al  4.074056592600  4.101652568810  4.131354808700  -0.074083144673  -0.004593893726  -0.226313469795  0.000869349864  0.002297832035  0.002729761296
  29  Al  3.959134254211  6.107394376805  6.227522070892  0.393808873396  -0.071207059807  -0.221445668648  -0.002684180579  0.001208688833  0.005984373474
  30  Al  6.103653607223  3.943211356216  6.097803597452  -0.084418130545  0.431545769598  -0.184577408991  0.001124289774  -0.003925629531  0.000755952610
  31  Al  6.171512507393  6.033481552724  4.031129735708  -0.248988105880  0.165209751066  -0.103107398397  0.003626784999  -0.001393024381  -0.001439963020


MDSTEP:  50
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -73.561179368302  -0.188735288356  0.468209073551
  -0.188735288356  -74.704506210329  -1.767634272497
  0.468209073551  -1.767634272497  -66.773552293820
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.995690101054  8.067417570070  8.039041288575  0.326301773090  0.029930765720  -0.103957448618  -0.003912300338  -0.001445679078  -0.003477914643
  1  Al  8.055895018360  1.953074719287  1.920528179036  0.226442765991  0.199907646144  0.050700779466  -0.001242936611  -0.002802021307  -0.004910033766
  2  Al  1.963190251395  7.995577895728  1.975117897167  0.039316290627  0.377236173441  0.221514716585  -0.002674778761  -0.004286375242  -0.001639158501
  3  Al  1.955765076169  1.990311823416  8.068572458493  -0.017074371513  -0.044472532288  -0.102145260504  -0.003279541763  -0.001810099483  -0.002312675633
  4  Al  0.026729902541  8.019101212762  4.200953705634  0.169516529558  0.167209289182  -0.559340878866  0.001967900762  -0.003537133184  0.005530127479
  5  Al  0.014129359303  2.020333946448  6.132391812864  -0.005115478530  -0.084732176041  -0.229241082627  0.000631373331  -0.000515880613  0.002085261295
  6  Al  1.991301682357  8.095297500618  6.054413640632  0.039200893278  0.148695728527  0.146738166709  -0.001768156830  0.000688176065  -0.000566680009
  7  Al  2.015095342777  2.042597478969  4.117213077846  -0.050966305488  -0.127710684249  -0.101055625335  -0.000652311238  0.000371148327  0.003219567948
  8  Al  8.054264583762  4.141806261547  7.965109975790  0.001441940446  -0.254165819609  0.333084945221  -0.002204860159  0.003523481276  -0.005479734030
  9  Al  0.032511916118  6.060958691763  2.020342747191  -0.101829256705  -0.013091309965  0.076901028891  0.001368973795  -0.000714836387  0.000218047329
  10  Al  2.083468957398  3.953261662584  2.018798492526  -0.248265046581  0.399306682315  0.300819751705  0.002120496786  -0.002809814150  0.000720940446
  11  Al  2.043169514856  6.110561248244  0.125621444703  -0.125291922309  -0.065610900506  -0.136606076903  0.000295740867  0.001627315512  0.006162271712
  12  Al  8.053721092207  4.088189786142  3.969351888275  0.345722448019  -0.163667180580  0.231980854046  -0.000998225325  0.001571854408  -0.002902999302
  13  Al  0.007988357128  6.038065828943  5.984049213177  -0.081402008202  0.020986629817  0.281103490511  0.000172139186  -0.001668755992  -0.003584905455
  14  Al  2.000367146378  3.999965314634  6.109717733871  -0.064841466623  -0.050179671094  -0.246223537421  -0.001622910273  -0.002960039458  0.000863894058
  15  Al  2.113213820914  6.085167693911  3.942119323687  -0.376558127992  -0.170168450740  0.288828354621  0.002871156165  -0.000061267196  -0.004756962924
  16  Al  4.170651390450  0.128212632552  0.005807247186  -0.047967207379  -0.253244678366  0.201780842393  0.005630097108  0.005638314810  0.001168538986
  17  Al  3.920414414162  1.918042906370  2.006680805205  0.383036114517  0.204994586020  0.052787034692  -0.004800329006  -0.004460547097  -0.000855730423
  18  Al  6.157342807874  7.990379944895  1.902015698189  -0.296799819117  0.268600333871  0.299762756159  0.002704721669  -0.004863903038  -0.005051364274
  19  Al  6.104955679813  2.137027579244  7.946075433492  -0.186467319794  -0.491599082054  0.469249313930  0.000542864822  0.003851936067  -0.006484767514
  20  Al  4.081107402286  0.123317786779  4.060326453479  -0.192148412053  -0.392529763590  0.009501302198  0.000849881208  0.004531514965  0.000351002624
  21  Al  4.080405653321  1.991927777703  6.109992947035  0.006359015911  0.193105404438  0.094508930292  0.001585784942  -0.000966702779  0.002256643455
  22  Al  6.077343355525  0.023816580096  6.094908581276  -0.053249868548  0.160623123511  0.101415332018  0.000102075137  0.002123616441  0.001370817723
  23  Al  6.165936507479  2.044421633126  4.028166634483  -0.218859071685  -0.004456115103  0.187764560767  0.003509640266  0.000888152263  0.000021888803
  24  Al  4.080512224712  4.031856109962  0.125941196724  0.094641185885  -0.038184216352  -0.534467178120  0.001919108357  -0.001190534293  0.004427177545
  25  Al  4.008621576179  6.193812224160  2.135125207947  0.261884837513  -0.166210579041  -0.347905247421  -0.001332822029  0.005057061852  0.004262979063
  26  Al  6.010429535671  4.146146952147  1.944768010277  0.202116686353  -0.181107648453  0.298101779523  -0.002722395841  0.004439160133  -0.003023240544
  27  Al  6.025892879469  6.124428375028  0.104996641378  -0.005525364779  -0.215087263174  -0.545141397368  -0.002276288846  0.001664291049  0.003726743306
  28  Al  4.074487956042  4.102801279482  4.132709573217  -0.073092094191  -0.004812746148  -0.226529310309  0.000938806366  0.002518627350  0.002948765383
  29  Al  3.957809767037  6.107995538291  6.230504359087  0.398911797876  -0.071925110112  -0.220818232627  -0.002865469924  0.001311284415  0.006518451510
  30  Al  6.104211978650  3.941267831391  6.098173323213  -0.091070410147  0.453632750431  -0.195176304731  0.001215569959  -0.004217642847  0.000791668833
  31  Al  6.173314770214  6.032792425350  4.030405145335  -0.258368727428  0.168726814047  -0.097936358878  0.003926998981  -0.001494702790  -0.001598612190


MDSTEP:  51
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -73.093706247036  -0.182882537878  0.511877966481
  -0.182882537878  -74.304070881180  -1.791522873379
  0.511877966481  -1.791522873379  -66.183441605246
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.993748536456  8.066696068426  8.037297684392  0.335695345997  0.030204822084  -0.100416594996  -0.003853118272  -0.001440303000  -0.003496185536
  1  Al  8.055283671964  1.951682644434  1.918075428459  0.230017510976  0.204751145057  0.054558997416  -0.001202129391  -0.002765845102  -0.004900623617
  2  Al  1.961854619439  7.993451570428  1.974308219545  0.032975391164  0.400293636927  0.226520276378  -0.002668315936  -0.004216864636  -0.001599104495
  3  Al  1.954124542069  1.989404785769  8.067411554820  -0.021614513721  -0.045116234640  -0.091800386225  -0.003283000522  -0.001818108654  -0.002330014235
  4  Al  0.027721430250  8.017340120365  4.203693767038  0.170936057237  0.177737383404  -0.574475839292  0.001998336979  -0.003506295200  0.005428765080
  5  Al  0.014444817308  2.020072218643  6.133424196518  -0.003083886888  -0.085341633532  -0.237467991487  0.000630640313  -0.000531085090  0.002043537840
  6  Al  1.990419356209  8.095648235296  6.054136859771  0.045037257432  0.140541933555  0.151356304365  -0.001760626000  0.000714033704  -0.000540030577
  7  Al  2.014766908982  2.042777344511  4.118818344670  -0.054411346336  -0.128992850368  -0.112032971626  -0.000661731924  0.000348199215  0.003200517981
  8  Al  8.053162218137  4.143556641064  7.962384997553  0.005055425104  -0.259506844241  0.342859301070  -0.002204279299  0.003477559309  -0.005419305101
  9  Al  0.033191851284  6.060600688393  2.020455208304  -0.105518976846  -0.013401559612  0.073775224704  0.001350437012  -0.000717204830  0.000231517678
  10  Al  2.084518108433  3.951874604374  2.019172409284  -0.259671244904  0.393358302347  0.305991049475  0.002075087647  -0.002738950470  0.000775188895
  11  Al  2.043311784786  6.111371973217  0.128696474317  -0.126676805051  -0.071332949987  -0.156870132007  0.000273215044  0.001615072830  0.006136035151
  12  Al  8.053237433213  4.088968397483  3.967910758085  0.352704362095  -0.174983992452  0.232561727272  -0.000935786471  0.001541579237  -0.002861469529
  13  Al  0.008070788080  6.037232389041  5.982269325675  -0.081176195617  0.020560043143  0.291496460637  0.000157604811  -0.001665041750  -0.003533715432
  14  Al  1.999552792852  3.998483051892  6.110138674796  -0.063268069088  -0.040525909151  -0.251880647789  -0.001634363173  -0.002968148471  0.000819363902
  15  Al  2.114632566984  6.085129453844  3.939753752748  -0.385407461058  -0.174717081678  0.310116557648  0.002803036990  -0.000092099715  -0.004703417680
  16  Al  4.173464294887  0.131020470011  0.006400536210  -0.052292197345  -0.266975549054  0.198561842006  0.005621133990  0.005591807496  0.001204329334
  17  Al  3.918031371235  1.915821796006  2.006255299555  0.384600946755  0.210414856681  0.058692438980  -0.004731702806  -0.004423409792  -0.000845764238
  18  Al  6.158681901863  7.987959999714  1.899503415339  -0.292104683280  0.289616256430  0.310947503238  0.002652074030  -0.004813998877  -0.004996767216
  19  Al  6.105218777202  2.138931572976  7.942854025011  -0.179898957721  -0.504730116410  0.496745183065  0.000510111940  0.003762864954  -0.006398408301
  20  Al  4.081523753925  0.125565998323  4.060502379495  -0.197734392498  -0.397200652062  0.015805985624  0.000815025966  0.004460913635  0.000353265077
  21  Al  4.081198830037  1.991453058056  6.111125493278  0.000646815989  0.197528862904  0.088125158604  0.001586411258  -0.000931780356  0.002272970811
  22  Al  6.077392012843  0.024885568112  6.095598523366  -0.055915638984  0.152205494728  0.100289301748  0.000092315819  0.002151583095  0.001388849972
  23  Al  6.167681544690  2.044865510071  4.028185971893  -0.216782207782  -0.003652282366  0.180364772296  0.003470694249  0.000887427378  0.000054799300
  24  Al  4.081476009317  4.031259135995  0.128130895006  0.089254370908  -0.033861623169  -0.550179148408  0.001935548487  -0.001196975140  0.004330210944
  25  Al  4.007966871322  6.196333325533  2.137241146239  0.270489761368  -0.167822811437  -0.358582016399  -0.001285228123  0.005027199507  0.004199819610
  26  Al  6.009077372293  4.148358436767  1.943269715048  0.217189641232  -0.197662082142  0.309288862817  -0.002684910157  0.004405298392  -0.002968940257
  27  Al  6.024754488064  6.125250906229  0.106835645407  -0.004815961408  -0.220300327798  -0.571218961167  -0.002277213353  0.001625367712  0.003626941493
  28  Al  4.074954092035  4.104060378029  4.134173830130  -0.077236059323  -0.007005731129  -0.224214956189  0.000925367137  0.002517570787  0.002908469169
  29  Al  3.956394863288  6.108647965472  6.233753714346  0.398606634457  -0.072863960484  -0.221013786266  -0.002794172350  0.001298340377  0.006478952045
  30  Al  6.104815692815  3.939179287188  6.098560433319  -0.093089532951  0.476128175940  -0.208132255780  0.001199106193  -0.004134522889  0.000755613337
  31  Al  6.175266720715  6.032052615983  4.029601461519  -0.262511389913  0.172653278510  -0.089771259713  0.003880432674  -0.001464183655  -0.001615393116


MDSTEP:  52
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -72.615608542203  -0.174289698863  0.559198403944
  -0.174289698863  -73.898149123754  -1.810847533954
  0.559198403944  -1.810847533954  -65.596845391082
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.991836982782  8.065977267070  8.035545103039  0.340261043840  0.029366861609  -0.096188454921  -0.003792688257  -0.001434977334  -0.003513761886
  1  Al  8.054692888969  1.950308874185  1.915627555418  0.229031670550  0.208915665404  0.057613015124  -0.001161090724  -0.002728863587  -0.004890595520
  2  Al  1.960521935459  7.991361031091  1.973518792672  0.032399566946  0.422266717845  0.230846752651  -0.002662471462  -0.004143328333  -0.001558216212
  3  Al  1.952482075647  1.988493714762  8.066242444258  -0.020195430972  -0.046209928683  -0.080667013053  -0.003286738301  -0.001826273147  -0.002345432696
  4  Al  0.028728239520  8.015594917562  4.206382470715  0.168150315755  0.187214296026  -0.589778468309  0.002028651056  -0.003473668782  0.005324681583
  5  Al  0.014759999616  2.019802861358  6.134435350704  -0.005612878361  -0.086466088716  -0.244921966518  0.000629862829  -0.000546444576  0.002000412524
  6  Al  1.989541056358  8.096011534322  6.053873610054  0.056815994549  0.130815221959  0.156497421994  -0.001751520392  0.000738292838  -0.000512508676
  7  Al  2.014433610853  2.042945678185  4.120413595826  -0.051775246231  -0.130824645983  -0.123585505063  -0.000671224929  0.000324971718  0.003179453858
  8  Al  8.052060304463  4.145283820856  7.959690670690  0.004264545850  -0.263649901702  0.353106682954  -0.002203446100  0.003430789472  -0.005357086242
  9  Al  0.033862353129  6.060241486933  2.020574264869  -0.113164107587  -0.013063823831  0.069670263304  0.001330886901  -0.000719570816  0.000244341601
  10  Al  2.085544045046  3.950522712113  2.019573681421  -0.264737642644  0.388154289283  0.310159250243  0.002028205870  -0.002669083807  0.000830272288
  11  Al  2.043442729900  6.112176321075  0.131757479854  -0.122154297906  -0.076732276787  -0.177049363262  0.000250969723  0.001601835906  0.006106182988
  12  Al  8.052785305736  4.089731365380  3.966490418746  0.355094608392  -0.185137131436  0.232570853674  -0.000872509752  0.001509384668  -0.002819887011
  13  Al  0.008145961939  6.036400787193  5.980515497746  -0.084909811290  0.020725719563  0.302597729396  0.000142756842  -0.001661350832  -0.003480603839
  14  Al  1.998732783205  3.996997166163  6.110537097773  -0.055750251260  -0.029477500834  -0.256662432418  -0.001645003325  -0.002974406726  0.000773900516
  15  Al  2.116016857904  6.085075594196  3.937415906007  -0.387959416959  -0.178550394940  0.331023604541  0.002733898548  -0.000123681573  -0.004646100211
  16  Al  4.176272524439  0.133804440048  0.007011576520  -0.053015586358  -0.281794229001  0.195641328434  0.005611719549  0.005542747872  0.001239570813
  17  Al  3.915682711356  1.913619496578  2.005835040967  0.390740014940  0.215273559474  0.063833052014  -0.004662387882  -0.004385353554  -0.000834810547
  18  Al  6.159994881904  7.985565946019  1.897018930973  -0.293292495815  0.309842583336  0.321379233473  0.002599739943  -0.004760407688  -0.004940237661
  19  Al  6.105465791753  2.140790444198  7.939677025192  -0.178939061441  -0.518320337836  0.524954760905  0.000478032080  0.003671404979  -0.006307069061
  20  Al  4.081922428252  0.127778700414  4.060679718556  -0.199298739717  -0.402881801700  0.021637476561  0.000779531490  0.004389386839  0.000356612495
  21  Al  4.081992064579  1.990995997347  6.112265917846  -0.000981163194  0.201281752712  0.082385876204  0.001586381368  -0.000896126974  0.002288214375
  22  Al  6.077435671344  0.025968163190  6.096297431248  -0.064345274010  0.142653327696  0.099845246457  0.000081564580  0.002177943261  0.001406741857
  23  Al  6.169407201727  2.045309060504  4.028221433784  -0.220665036925  -0.003400919543  0.172447974782  0.003431586780  0.000886796827  0.000086340506
  24  Al  4.082447773199  4.030659134823  0.130271407667  0.087669559251  -0.028574535562  -0.565120290519  0.001951365359  -0.001202556887  0.004230503976
  25  Al  4.007336348056  6.198839423667  2.139325027557  0.283629049041  -0.168879486128  -0.369902172834  -0.001235690300  0.004997098564  0.004134693648
  26  Al  6.007744625513  4.150552250539  1.941799070020  0.226600543152  -0.213111256022  0.319695840241  -0.002645235634  0.004368575551  -0.002912709477
  27  Al  6.023615666116  6.126053742740  0.108623582872  -0.009693223013  -0.224969121003  -0.596972157189  -0.002278510464  0.001585560944  0.003522506048
  28  Al  4.075413323179  4.105318850269  4.135618042387  -0.077225763935  -0.008006746563  -0.222274576719  0.000911558362  0.002516228682  0.002868553327
  29  Al  3.955015594686  6.109293878668  6.236983311132  0.402653688854  -0.073206047135  -0.220480655636  -0.002722540254  0.001285281823  0.006439482760
  30  Al  6.105411084842  3.937133308502  6.098928936551  -0.100833769472  0.499670415332  -0.220404066163  0.001181769589  -0.004047287197  0.000717302499
  31  Al  6.177195202887  6.031328241695  4.028789752218  -0.272761404029  0.177075763167  -0.081899240348  0.003832579671  -0.001432918130  -0.001630740336


MDSTEP:  53
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -72.135662447259  -0.167417718707  0.607142733081
  -0.167417718707  -73.485215374703  -1.826817102715
  0.607142733081  -1.826817102715  -65.006271431597
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.989955848199  8.065261091091  8.033783922507  0.350346438608  0.028474266864  -0.092003442579  -0.003730948446  -0.001429806379  -0.003530586106
  1  Al  8.054122581240  1.948953780847  1.913184832939  0.232999244846  0.213154084891  0.062297488539  -0.001119785493  -0.002691130855  -0.004879875607
  2  Al  1.959192147977  7.989308242095  1.972750003333  0.026549880202  0.444386263530  0.236491676483  -0.002657201424  -0.004065850180  -0.001516436492
  3  Al  1.950837803769  1.987578512622  8.065066122124  -0.023865528909  -0.047245294716  -0.069544913173  -0.003290677319  -0.001834627977  -0.002358861534
  4  Al  0.029750081306  8.013866451582  4.209018448621  0.169890598844  0.196984036245  -0.604956991884  0.002058871671  -0.003439321728  0.005217873093
  5  Al  0.015074680137  2.019525774067  6.135424609042  -0.002950714444  -0.087477680804  -0.253876834300  0.000629097250  -0.000561995024  0.001955820271
  6  Al  1.988667835816  8.096386528134  6.053624351095  0.063441602571  0.121217318420  0.160357250929  -0.001740769449  0.000760824366  -0.000484182096
  7  Al  2.014095684053  2.043102316229  4.121997798528  -0.054608391208  -0.132617919804  -0.134980911749  -0.000680735550  0.000301420142  0.003156338207
  8  Al  8.050958772037  4.146987430536  7.957027911310  0.008795625460  -0.267713726710  0.363166437206  -0.002202278530  0.003383285946  -0.005293051941
  9  Al  0.034522738185  6.059881117576  2.020699549905  -0.116039578588  -0.012897924976  0.066814563071  0.001310396257  -0.000721891778  0.000256543246
  10  Al  2.086546314304  3.949205520567  2.020002681572  -0.275511409215  0.382675812001  0.315368850117  0.001979907994  -0.002600172151  0.000886194050
  11  Al  2.043562754508  6.112973809122  0.134802657305  -0.122933684673  -0.082311338295  -0.197268169691  0.000229059033  0.001587617521  0.006072719270
  12  Al  8.052364923461  4.090477782150  3.965090871074  0.362543624566  -0.195576968237  0.232524368115  -0.000808353411  0.001475349101  -0.002778307833
  13  Al  0.008213544922  6.035571038209  5.978788721836  -0.083673655259  0.020960298512  0.312456883558  0.000127685601  -0.001657624132  -0.003425618399
  14  Al  1.997907789527  3.995508645166  6.110912575313  -0.053707241886  -0.018614640572  -0.262664764517  -0.001654788746  -0.002978706129  0.000727473039
  15  Al  2.117366465532  6.085005772271  3.935107652537  -0.396312192077  -0.182333998586  0.352079471531  0.002663785230  -0.000155944378  -0.004585031288
  16  Al  4.179076014436  0.136563217883  0.007640107024  -0.058438465251  -0.296567485179  0.192374453262  0.005601755637  0.005491042751  0.001274259145
  17  Al  3.913368983354  1.911436442452  2.005420489008  0.391154060269  0.220192387992  0.070428277565  -0.004592487114  -0.004346423211  -0.000822807681
  18  Al  6.161281641806  7.983199592027  1.894563177678  -0.288465428152  0.330454844650  0.333522979707  0.002547731204  -0.004703165558  -0.004881689874
  19  Al  6.105696809282  2.142602977955  7.936546955950  -0.172493641615  -0.531608833118  0.553124849945  0.000446614249  0.003577542067  -0.006210689520
  20  Al  4.082303285415  0.129955385162  4.060858991991  -0.205599270759  -0.408121699591  0.027828886113  0.000743333899  0.004316883710  0.000361034753
  21  Al  4.082785211405  1.990556931082  6.113413707652  -0.007874447446  0.204794117836  0.075029857489  0.001585589682  -0.000859824084  0.002302287228
  22  Al  6.077473577423  0.027063511373  6.097005265223  -0.067481930800  0.132957463324  0.097564030260  0.000069779323  0.002202582667  0.001424390104
  23  Al  6.171113131470  2.045752306898  4.028272312399  -0.218613020535  -0.003368514305  0.164316052718  0.003392315638  0.000886191645  0.000116446968
  24  Al  4.083427374676  4.030056579108  0.132361398982  0.080982711787  -0.023237090630  -0.579840178813  0.001966442751  -0.001207188809  0.004128145334
  25  Al  4.006731181022  6.201330424097  2.141375839887  0.291339108342  -0.169874373525  -0.379949568868  -0.001184288561  0.004966814213  0.004067657442
  26  Al  6.006432136659  4.152727012318  1.940357005570  0.241293347654  -0.228798260484  0.331369397017  -0.002603406257  0.004329069158  -0.002854504714
  27  Al  6.022475977601  6.126836467173  0.110358151455  -0.009355013972  -0.229937370483  -0.622729642318  -0.002280213362  0.001544892631  0.003413465585
  28  Al  4.075865650396  4.106576606712  4.137042383457  -0.082252482222  -0.009390274283  -0.220362965871  0.000897301121  0.002514673401  0.002828981849
  29  Al  3.953672323034  6.109933247295  6.240193197106  0.400963445400  -0.073374861712  -0.221050685622  -0.002650697461  0.001272177595  0.006400010176
  30  Al  6.105997462404  3.935131999991  6.099277735818  -0.103060749292  0.523136963264  -0.233976520920  0.001163541566  -0.003955848954  0.000676681201
  31  Al  6.179099300386  6.030619697852  4.027970721184  -0.277062842244  0.181680398481  -0.073910183320  0.003783425779  -0.001400845588  -0.001644669586


MDSTEP:  54
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -71.647471710092  -0.157604660024  0.659796403338
  -0.157604660024  -73.065733131191  -1.838430240910
  0.659796403338  -1.838430240910  -64.421086221114
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.988106034336  8.064547460691  8.032014516933  0.354621415296  0.027573977399  -0.087029394841  -0.003667924827  -0.001424795706  -0.003546591513
  1  Al  8.053573103476  1.947617743330  1.910747679811  0.231173092391  0.217998367074  0.064347075067  -0.001078288820  -0.002652586136  -0.004868553675
  2  Al  1.957864734035  7.987295180911  1.972002356180  0.026256279739  0.466429715860  0.239698337814  -0.002652480591  -0.003984423887  -0.001473865448
  3  Al  1.949191398329  1.986659086786  8.063883582724  -0.021985702821  -0.047762927351  -0.057628412162  -0.003294776386  -0.001843121644  -0.002370230738
  4  Al  0.030787111190  8.012155595834  4.211600343808  0.166183062938  0.206385787428  -0.620193715267  0.002088916414  -0.003403260756  0.005108345501
  5  Al  0.015389096866  2.019240866334  6.136391170974  -0.006141192415  -0.087749512431  -0.260246234999  0.000628284440  -0.000577660209  0.001909858038
  6  Al  1.987800286908  8.096772358688  6.053389427958  0.075720979483  0.111207850977  0.166705752744  -0.001728328415  0.000781603009  -0.000454942899
  7  Al  2.013752875303  2.043247098327  4.123569934033  -0.051415764608  -0.133719817233  -0.146906269696  -0.000690214033  0.000277609740  0.003131137696
  8  Al  8.049858025933  4.148667106802  7.954397618749  0.007778738467  -0.271861106639  0.373754359687  -0.002200796794  0.003335048345  -0.005227171752
  9  Al  0.035172749386  6.059519595155  2.020830808116  -0.124268503656  -0.013280112749  0.061580794694  0.001288912887  -0.000724232076  0.000268021699
  10  Al  2.087523953040  3.947922539962  2.020459875471  -0.280040891077  0.376984832781  0.318072331537  0.001930242018  -0.002532259036  0.000942823236
  11  Al  2.043671788933  6.113763938596  0.137830199124  -0.118002750500  -0.088518087241  -0.217612558805  0.000207519489  0.001572345493  0.006035629231
  12  Al  8.051976952325  4.091206714481  3.963712110913  0.363958792498  -0.205570377260  0.231900044807  -0.000743404617  0.001439486817  -0.002736788625
  13  Al  0.008273647540  6.034743163061  5.977089879347  -0.087572050100  0.020413070853  0.324330429670  0.000112376359  -0.001653925383  -0.003368690071
  14  Al  1.997077994459  3.994018460034  6.111264570812  -0.045937233608  -0.007238399322  -0.266269439731  -0.001663696891  -0.002981017372  0.000680186702
  15  Al  2.118680643134  6.084919649818  3.932830874719  -0.398522771265  -0.186842550226  0.372539151034  0.002592727556  -0.000188948496  -0.004520250904
  16  Al  4.181874280077  0.139295482799  0.008285835665  -0.059319909429  -0.311397971027  0.189422502772  0.005591228124  0.005436691077  0.001308391518
  17  Al  3.911090224242  1.909273073367  2.005012233287  0.397252983486  0.225688967955  0.074789775517  -0.004522004092  -0.004306561739  -0.000809825291
  18  Al  6.162542613107  7.980862780460  1.892137241098  -0.289448023512  0.350885808404  0.343408547916  0.002496066157  -0.004642254194  -0.004821172683
  19  Al  6.105912406002  2.144367986265  7.933466335672  -0.171208914242  -0.544210486572  0.582107440898  0.000415887488  0.003481364594  -0.006109200570
  20  Al  4.082665762151  0.132095584123  4.061040753308  -0.206388292693  -0.413254222688  0.033396019087  0.000706502507  0.004243453293  0.000366508215
  21  Al  4.083577654261  1.990136173264  6.114568205074  -0.009427409136  0.208929674688  0.069806187117  0.001584042909  -0.000822837474  0.002315235466
  22  Al  6.077505450666  0.028170745858  6.097721821352  -0.076214724000  0.123130424749  0.097482414664  0.000056932945  0.002225476740  0.001441827116
  23  Al  6.172799517365  2.046195252149  4.028337880751  -0.222593542246  -0.002473734799  0.155664108056  0.003352872088  0.000885669352  0.000145052964
  24  Al  4.084414215950  4.029451946013  0.134399553002  0.079218595486  -0.017962043677  -0.593986382725  0.001980764633  -0.001210871982  0.004023206084
  25  Al  4.006152059495  6.203806237880  2.143392684999  0.304942818058  -0.171222508664  -0.392057490777  -0.001130981385  0.004936320397  0.003998640566
  26  Al  6.005141219256  4.154881319697  1.938944565306  0.250661825915  -0.244383241495  0.340972461979  -0.002559425819  0.004286767072  -0.002794397835
  27  Al  6.021335452754  6.127598635370  0.112037048457  -0.014336237059  -0.235337337198  -0.648025200141  -0.002282331343  0.001503297407  0.003299861017
  28  Al  4.076310624301  4.107833523670  4.138447024236  -0.081701440906  -0.010643056077  -0.218628150816  0.000882643758  0.002512882436  0.002789736359
  29  Al  3.952364897226  6.110566056263  6.243383321308  0.404887998734  -0.074149754925  -0.219402946830  -0.002578654921  0.001258989001  0.006360633938
  30  Al  6.106574626408  3.933177459548  6.099605617752  -0.110785402300  0.546598768702  -0.245656748044  0.001144423874  -0.003860215349  0.000633802332
  31  Al  6.180978628667  6.029927396107  4.027145082632  -0.287345826916  0.185350000702  -0.066334790226  0.003732968050  -0.001368033334  -0.001657207386


MDSTEP:  55
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -71.160993077255  -0.149222407828  0.713867118340
  -0.149222407828  -72.640334637445  -1.847381693837
  0.713867118340  -1.847381693837  -63.833164071698
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.986287923372  8.063836295385  8.030237330994  0.361689329361  0.026930280105  -0.082101990298  -0.003603887162  -0.001419923065  -0.003561711737
  1  Al  8.053044292420  1.946301194711  1.908316279265  0.232045405186  0.222446235703  0.068835014687  -0.001036877420  -0.002613210705  -0.004856647292
  2  Al  1.956539667386  7.985323818208  1.971276137886  0.020823028033  0.488649891539  0.245035432902  -0.002648271735  -0.003899040457  -0.001430530597
  3  Al  1.947543027383  1.985735390978  8.062695891386  -0.024858046425  -0.048414405079  -0.045951150266  -0.003298964183  -0.001851719828  -0.002379490676
  4  Al  0.031838997721  8.010463190826  4.214126794122  0.164628176137  0.216259936544  -0.635252463925  0.002118490701  -0.003365476532  0.004996109516
  5  Al  0.015702964577  2.018948113858  6.137334467080  -0.006715493213  -0.088208891560  -0.269011438302  0.000627135061  -0.000593390764  0.001862542783
  6  Al  1.986939507402  8.097168131143  6.053169408196  0.083110193098  0.101643814687  0.170880960974  -0.001714129022  0.000800631794  -0.000424762890
  7  Al  2.013405470020  2.043379925970  4.125128936224  -0.053520400195  -0.134990403132  -0.158515442821  -0.000699595251  0.000253587240  0.003103833214
  8  Al  8.048757975242  4.150322478881  7.951800739558  0.009862236856  -0.276117110106  0.383844233383  -0.002199219704  0.003286059486  -0.005159442983
  9  Al  0.035811651072  6.059156885500  2.020967571604  -0.129937169341  -0.013340736287  0.058434577871  0.001266187083  -0.000726611961  0.000278750987
  10  Al  2.088476556322  3.946673261531  2.020945504808  -0.289819833989  0.370877058481  0.322587842844  0.001879296879  -0.002465400721  0.001000097795
  11  Al  2.043770273998  6.114546154615  0.140838286536  -0.118047783878  -0.094704073040  -0.237792790984  0.000186416741  0.001555965564  0.005994916321
  12  Al  8.051621518844  4.091917268968  3.962354082449  0.368014248199  -0.216174827766  0.231478847544  -0.000677966754  0.001401783100  -0.002695362885
  13  Al  0.008325921281  6.033917112826  5.975420031765  -0.088873606845  0.020232940720  0.334084715325  0.000096602244  -0.001650291658  -0.003309828231
  14  Al  1.996244092636  3.992527627795  6.111592762014  -0.043329551138  0.003532437173  -0.271855135589  -0.001671677277  -0.002981348682  0.000632078752
  15  Al  2.119959193088  6.084816823776  3.930587401633  -0.406060238211  -0.190968410567  0.393161259958  0.002520798414  -0.000222724524  -0.004451797839
  16  Al  4.184667242560  0.141999908960  0.008948498542  -0.062232621716  -0.325846851313  0.186020856301  0.005580361415  0.005379721849  0.001341955884
  17  Al  3.908846979262  1.907129880713  2.004610663717  0.399960092480  0.230881737226  0.081206723618  -0.004450733816  -0.004265744647  -0.000795879317
  18  Al  6.163777707963  7.978557337832  1.889742004996  -0.284799405793  0.371787376841  0.355412315720  0.002444728850  -0.004577647732  -0.004758698601
  19  Al  6.106112696769  2.146084342549  7.930437755380  -0.164898189986  -0.557193896282  0.610362806878  0.000385839755  0.003382899835  -0.006002594588
  20  Al  4.083009787922  0.134198838455  4.061225500206  -0.209547796048  -0.417764055599  0.039374366728  0.000669318120  0.004169160857  0.000373013835
  21  Al  4.084369254314  1.989734093608  6.115728943118  -0.013639666993  0.212600962049  0.062376835977  0.001581980729  -0.000785152939  0.002327052533
  22  Al  6.077530510368  0.029288988113  6.098447092339  -0.079896775396  0.113704458453  0.095102671119  0.000042976689  0.002246649608  0.001459044084
  23  Al  6.174466003558  2.046637976250  4.028417365363  -0.221006108444  -0.001906961163  0.147298924943  0.003313214599  0.000885277721  0.000172137641
  24  Al  4.085408139309  4.028845707125  0.136384605066  0.074610119243  -0.012991366060  -0.607997853412  0.001994516809  -0.001213639195  0.003915749559
  25  Al  4.005600199637  6.206266744493  2.145374480453  0.315453522622  -0.172158734436  -0.402087023423  -0.001075518399  0.004905622361  0.003927644618
  26  Al  6.003872710840  4.157013779390  1.937562607735  0.265037429306  -0.260236598078  0.352820760803  -0.002513322676  0.004241654422  -0.002732373221
  27  Al  6.020193646258  6.128339764579  0.113658012472  -0.014324835118  -0.240253948018  -0.673245293100  -0.002284893622  0.001460779888  0.003181740385
  28  Al  4.076748294155  4.109089489147  4.139832119815  -0.083711361158  -0.012461159398  -0.216719711175  0.000867855973  0.002510816935  0.002750816573
  29  Al  3.951093668113  6.111192236296  6.246553831044  0.405454864977  -0.074503807767  -0.219598813217  -0.002506210853  0.001245699479  0.006321387496
  30  Al  6.107141886278  3.931271784642  6.099911538150  -0.113387919296  0.569288913053  -0.259551019300  0.001124382940  -0.003760455793  0.000588637121
  31  Al  6.182832268437  6.029251664518  4.026313513798  -0.292081842314  0.189400193078  -0.058639021763  0.003681167634  -0.001334530937  -0.001668379955


MDSTEP:  56
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -70.668668462774  -0.138638589605  0.770653508608
  -0.138638589605  -72.209900754758  -1.850747704099
  0.770653508608  -1.850747704099  -63.249608147611
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.984502147174  8.063127537626  8.028452805196  0.367926328930  0.026153255718  -0.076934092207  -0.003538660047  -0.001415177435  -0.003575929448
  1  Al  8.052536226056  1.945004532625  1.905891032519  0.231682612690  0.226973015171  0.071305824380  -0.000995420469  -0.002573032948  -0.004844118801
  2  Al  1.955216462300  7.983396140454  1.970571825583  0.019142262007  0.510714100438  0.248933553599  -0.002644698867  -0.003809698036  -0.001386370126
  3  Al  1.945892434145  1.984807366958  8.061504092048  -0.024102318111  -0.049162750313  -0.033728554277  -0.003303341205  -0.001860443155  -0.002386613984
  4  Al  0.032905601891  8.008790119302  4.216596453324  0.162345430146  0.225603750871  -0.650058456001  0.002147721906  -0.003325974237  0.004881203645
  5  Al  0.016016231928  2.018647475570  6.138253713757  -0.008450051486  -0.088587600831  -0.275787690110  0.000625779273  -0.000609196243  0.001813838133
  6  Al  1.986086157886  8.097572990482  6.052964665069  0.093936464796  0.091626930259  0.176538766157  -0.001698301178  0.000817910060  -0.000393703816
  7  Al  2.013053280052  2.043500685567  4.126673767248  -0.051474689773  -0.136527408699  -0.170388195515  -0.000708981736  0.000229313743  0.003074429466
  8  Al  8.047658806229  4.151953166289  7.949238175766  0.010832816118  -0.280316955231  0.394188523993  -0.002197369581  0.003236314681  -0.005089887415
  9  Al  0.036438936469  6.058792983194  2.021109559103  -0.136376343364  -0.013388587386  0.053713567876  0.001242378846  -0.000729001543  0.000288776950
  10  Al  2.089403249919  3.945457139241  2.021459973266  -0.295457756832  0.364658248450  0.325243289295  0.001826973484  -0.002399644394  0.001058013432
  11  Al  2.043858205675  6.115319904159  0.143825115445  -0.114630271682  -0.100897227018  -0.258150811698  0.000165615491  0.001538478948  0.005950579320
  12  Al  8.051298985571  4.092608497580  3.961016748028  0.370552275274  -0.226103171924  0.230828943207  -0.000611939439  0.001362243765  -0.002654032902
  13  Al  0.008370249784  6.033092871402  5.973780051115  -0.090963880625  0.020056896476  0.345183246235  0.000080524902  -0.001646689776  -0.003249102164
  14  Al  1.995406317182  3.991037111352  6.111896649564  -0.037045889637  0.014820642105  -0.275727300975  -0.001678862783  -0.002979707930  0.000583125276
  15  Al  2.121201441549  6.084696925295  3.928379076880  -0.409756415139  -0.194847527246  0.413340967540  0.002447864993  -0.000257216191  -0.004379697120
  16  Al  4.187454641491  0.144675204647  0.009627791550  -0.065093299425  -0.340240983376  0.182853756713  0.005568978569  0.005320174075  0.001374933009
  17  Al  3.906639490426  1.905007328720  2.004216353970  0.403733787943  0.236194609484  0.086273730302  -0.004378884162  -0.004223988357  -0.000780906685
  18  Al  6.164987341957  7.976285132728  1.887378542498  -0.283738415731  0.392483348001  0.366118414262  0.002393901978  -0.004509322479  -0.004694194273
  19  Al  6.106298245757  2.147750886100  7.927463741084  -0.161745586278  -0.569626001551  0.639159253317  0.000356638036  0.003282162947  -0.005890888215
  20  Al  4.083335080271  0.136264744981  4.061413767144  -0.211995607240  -0.422316920936  0.044852270898  0.000631632443  0.004094058223  0.000380543636
  21  Al  4.085159634990  1.989351020325  6.116895257607  -0.017229297048  0.216316984601  0.056249023512  0.001579221066  -0.000746807983  0.002337657600
  22  Al  6.077548427355  0.030417395466  6.099180865436  -0.086945815227  0.103934068222  0.093881327411  0.000028061082  0.002266106336  0.001475939117
  23  Al  6.176112731964  2.047080529869  4.028510018392  -0.223295096686  -0.001164179597  0.138589858787  0.003273494391  0.000885003163  0.000197695892
  24  Al  4.086408732759  4.028238306818  0.138315302560  0.070651334609  -0.008070637222  -0.621455531545  0.002007503078  -0.001215522123  0.003805837311
  25  Al  4.005076541096  6.208711860240  2.147320329617  0.326969315430  -0.172985641325  -0.413167016083  -0.001018086260  0.004874766702  0.003854761494
  26  Al  6.002627896579  4.159122974119  1.936212192086  0.275721863123  -0.275947674681  0.363060630405  -0.002464979185  0.004193719934  -0.002668373939
  27  Al  6.019050559132  6.129059415258  0.115218788842  -0.017653737451  -0.245551686286  -0.698242096453  -0.002287752484  0.001417349214  0.003059130400
  28  Al  4.077178480273  4.110344340606  4.141197840809  -0.084756464944  -0.014055048866  -0.215012110589  0.000852795070  0.002508446405  0.002712220059
  29  Al  3.949858686373  6.111811755742  6.249704708804  0.407014713294  -0.075070778141  -0.218571570216  -0.002433576657  0.001232327619  0.006282215379
  30  Al  6.107699009349  3.929417003755  6.100194254873  -0.119352558603  0.592154049037  -0.272027491342  0.001103576109  -0.003656623628  0.000541114385
  31  Al  6.184659796300  6.028592865170  4.025476702678  -0.300445709078  0.193170881796  -0.051064030877  0.003628196097  -0.001300329358  -0.001678187329


MDSTEP:  57
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -70.179840062017  -0.129278395007  0.829022810502
  -0.129278395007  -71.773789255066  -1.851739647736
  0.829022810502  -1.851739647736  -62.663737888327
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.982749263325  8.062421117950  8.026661401546  0.377412358949  0.025111911541  -0.071686626173  -0.003472027305  -0.001410594366  -0.003589216034
  1  Al  8.052048871951  1.943728161763  1.903472160463  0.234575382739  0.230735254678  0.077147430375  -0.000953737340  -0.002532114158  -0.004830847187
  2  Al  1.953894968519  7.981514120173  1.969889767760  0.012448543014  0.532413214534  0.254820446209  -0.002641874672  -0.003716443204  -0.001341334880
  3  Al  1.944239686178  1.983874947823  8.060309277402  -0.027648204391  -0.049963414825  -0.021961215535  -0.003307967664  -0.001869304963  -0.002391592610
  4  Al  0.033986719627  8.007137216590  4.219007997767  0.162182085821  0.235482991542  -0.664994549583  0.002176734433  -0.003284753414  0.004763638853
  5  Al  0.016328743850  2.018338917615  6.139148305213  -0.006770286226  -0.089165425471  -0.285562316225  0.000624418585  -0.000625087236  0.001763653847
  6  Al  1.985241206223  8.097986041203  6.052775704380  0.100127539474  0.081970759500  0.180023617787  -0.001680951996  0.000833429568  -0.000361827396
  7  Al  2.012696488284  2.043609239713  4.128203365689  -0.055026634533  -0.137808631750  -0.181735934944  -0.000718502878  0.000204788299  0.003042949822
  8  Al  8.046560605662  4.153558793562  7.946710852143  0.015747404642  -0.284096079463  0.403896383518  -0.002194993328  0.003185856562  -0.005018539198
  9  Al  0.037054029919  6.058427883958  2.021256348555  -0.139800092285  -0.012946227318  0.051244581316  0.001217688872  -0.000731355856  0.000298160133
  10  Al  2.090303529805  3.944273617137  2.022003518240  -0.306170931723  0.358543729082  0.329937208543  0.001773188312  -0.002334990658  0.001116586097
  11  Al  2.043935889488  6.116084633564  0.146788865856  -0.115817162703  -0.107080073035  -0.277956889765  0.000145013656  0.001519885927  0.005902651677
  12  Al  8.051009579405  4.093279512732  3.959700049548  0.376812411008  -0.236640102717  0.230292494967  -0.000545125574  0.001320874849  -0.002612808977
  13  Al  0.008406446182  6.032270423050  5.972170929600  -0.089769808036  0.020343128609  0.354014985140  0.000064367440  -0.001643078043  -0.003186594346
  14  Al  1.994565229853  3.989547919865  6.112175887291  -0.035949299054  0.025427420812  -0.281844799266  -0.001685388501  -0.002976109782  0.000533278732
  15  Al  2.122407058081  6.084559607585  3.926207704513  -0.418763528318  -0.198715661366  0.433518262813  0.002373795906  -0.000292400457  -0.004303988514
  16  Al  4.190236221129  0.147320083036  0.010323431551  -0.070634751768  -0.354706419730  0.179245948070  0.005556844579  0.005258046278  0.001407304462
  17  Al  3.904468095100  1.902905892356  2.003829757032  0.403571564976  0.241238114834  0.093229699521  -0.004306711644  -0.004181306215  -0.000764859207
  18  Al  6.166171609941  7.974048015353  1.885047810723  -0.276969681856  0.413342296464  0.379390149337  0.002343775077  -0.004437282246  -0.004627546344
  19  Al  6.106469334805  2.149366505496  7.924546867165  -0.154030704180  -0.582611328123  0.667099023621  0.000328407863  0.003179153759  -0.005774109665
  20  Al  4.083641420365  0.138292896678  4.061606043842  -0.217011687007  -0.426629980942  0.050935142426  0.000593279500  0.004018162981  0.000389106962
  21  Al  4.085948475380  1.988987285625  6.118066600718  -0.024188775678  0.219335240722  0.048023731768  0.001575518320  -0.000707860988  0.002346979509
  22  Al  6.077558571450  0.031555094450  6.099923031456  -0.089134527725  0.094293703122  0.090060694188  0.000012319626  0.002283827756  0.001492383402
  23  Al  6.177739497949  2.047522979412  4.028615061255  -0.219574503842  -0.001438875093  0.129964888482  0.003233902167  0.000884770452  0.000221704494
  24  Al  4.087415642387  4.027630185003  0.140190442377  0.063064435270  -0.003116602761  -0.634495765678  0.002019457172  -0.001216522254  0.003693556169
  25  Al  4.004582113377  6.211141511195  2.149229241947  0.334655484935  -0.173534066627  -0.422511619662  -0.000958937479  0.004843788089  0.003780052425
  26  Al  6.001407731655  4.161207499324  1.934894233796  0.291040467394  -0.291350661853  0.375569933833  -0.002414311040  0.004143003871  -0.002602340899
  27  Al  6.017905893774  6.129757113793  0.116717142871  -0.016310771341  -0.250093567556  -0.722843907809  -0.002290788886  0.001373038885  0.002932086334
  28  Al  4.077601089225  4.111597935553  4.142544339875  -0.089318037738  -0.015873655360  -0.213319069803  0.000837232935  0.002505770801  0.002673927560
  29  Al  3.948660091456  6.112424563915  6.252836046423  0.404670514648  -0.074821552031  -0.219410188724  -0.002361012582  0.001218927352  0.006243060125
  30  Al  6.108245462387  3.927615161013  6.100452652535  -0.120260864417  0.614434295844  -0.286602566267  0.001082154841  -0.003548755499  0.000491173260
  31  Al  6.186460464534  6.027951335160  4.024635326470  -0.303157940048  0.197920264738  -0.043489172480  0.003574234365  -0.001265366091  -0.001686640317


MDSTEP:  58
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -69.686136070940  -0.117787485917  0.892306370668
  -0.117787485917  -71.333977130129  -1.847410917077
  0.892306370668  -1.847410917077  -62.086487676908
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.981030119870  8.061716943260  8.024863589162  0.381334885629  0.024967942643  -0.067023098645  -0.003404195847  -0.001406117263  -0.003601616583
  1  Al  8.051582488716  1.942472418467  1.901060185332  0.231837606948  0.236206580090  0.079033738250  -0.000912040354  -0.002490369894  -0.004816884703
  2  Al  1.952574587628  7.979679697250  1.969230490702  0.011986299362  0.554604915147  0.258107823896  -0.002639690214  -0.003619264566  -0.001295479462
  3  Al  1.942584466481  1.982938061995  8.059112499438  -0.025495074175  -0.049675510922  -0.010529060771  -0.003312718635  -0.001878212611  -0.002394497217
  4  Al  0.035082336324  8.005505365888  4.221360092177  0.157307702151  0.245214814096  -0.678285186785  0.002205296590  -0.003241779376  0.004643550611
  5  Al  0.016640650513  2.018022388335  6.140017367604  -0.010965477253  -0.088550168073  -0.291926032458  0.000622833021  -0.000640974882  0.001712026804
  6  Al  1.984405205890  8.098406420051  6.052602837673  0.112302529280  0.072501809250  0.186222099137  -0.001661960901  0.000847239305  -0.000329085292
  7  Al  2.012334777174  2.043705473866  4.129716717069  -0.051637228665  -0.138321544336  -0.192443878058  -0.000728038550  0.000180102460  0.003009498416
  8  Al  8.045463812901  4.155139022851  7.944219636567  0.014983476847  -0.289032736611  0.413225141107  -0.002192246010  0.003134619259  -0.004945489122
  9  Al  0.037656625341  6.058061627338  2.021407719236  -0.148309290547  -0.013890060683  0.046105141276  0.001191932100  -0.000733755001  0.000306863129
  10  Al  2.091176438231  3.943122148584  2.022576559362  -0.310276768220  0.351486891944  0.331611790930  0.001718078331  -0.002271514431  0.001175728101
  11  Al  2.044003219331  6.116839790087  0.149727767121  -0.110873768673  -0.114379660334  -0.299325459759  0.000124747650  0.001500087587  0.005851043050
  12  Al  8.050753859997  4.093929372429  3.958403939051  0.376676755943  -0.247013724431  0.230340797370  -0.000477764184  0.001277636545  -0.002571628692
  13  Al  0.008434617224  6.031449793360  5.970593456770  -0.093570960246  0.019307134603  0.365200256747  0.000047976907  -0.001639533338  -0.003122297021
  14  Al  1.993720928681  3.988061001570  6.112429928295  -0.028468169152  0.036200579369  -0.284896594733  -0.001691147376  -0.002970600283  0.000482612459
  15  Al  2.123575237455  6.084404524838  3.924075088366  -0.421098145784  -0.203458279210  0.454171123130  0.002298712877  -0.000328354518  -0.004224629722
  16  Al  4.193011486070  0.149933250925  0.011035096012  -0.071809825096  -0.368469099163  0.174721428838  0.005544110136  0.005193394907  0.001438948891
  17  Al  3.902332778782  1.900826022505  2.003451494763  0.409027825966  0.247343885671  0.097851002348  -0.004234065844  -0.004137627336  -0.000747776730
  18  Al  6.167331117035  7.971847850482  1.882750996154  -0.276791402290  0.434398002885  0.389587526967  0.002294269235  -0.004361494874  -0.004558800293
  19  Al  6.106626653620  2.150930039858  7.921689631418  -0.151702443900  -0.593927236506  0.694583115551  0.000301075540  0.003073972058  -0.005652376262
  20  Al  4.083928359771  0.140282907961  4.061802874105  -0.216956792914  -0.429944331767  0.057464994753  0.000554483030  0.003941585853  0.000398797856
  21  Al  4.086735153310  1.988643159337  6.119242237116  -0.025734775450  0.223664257254  0.042084415994  0.001571055190  -0.000668257151  0.002355035113
  22  Al  6.077560746981  0.032701223222  6.100673248838  -0.097446415363  0.085425491527  0.088798340988  -0.000004360576  0.002299894523  0.001508373271
  23  Al  6.179346634131  2.047965300321  4.028731722886  -0.222963072843  0.000103563112  0.122393848151  0.003194339626  0.000884651076  0.000244265183
  24  Al  4.088428189931  4.027021784564  0.142008858729  0.060473308256  0.001115690881  -0.648471612971  0.002030501357  -0.001216701134  0.003578859808
  25  Al  4.004117603618  6.213555648330  2.151100382042  0.348119583161  -0.174763803591  -0.433753976767  -0.000897897879  0.004812650510  0.003703502897
  26  Al  6.000213585539  4.163265977989  1.933609851187  0.300794445944  -0.307441048275  0.385421673861  -0.002361401425  0.004089472323  -0.002534308796
  27  Al  6.016759770246  6.130432454143  0.118150875176  -0.020777976551  -0.255908046251  -0.748110292463  -0.002294104594  0.001327802705  0.002800584087
  28  Al  4.078015713209  4.112850111406  4.143871768369  -0.088156836237  -0.018336908948  -0.210484666808  0.000821366809  0.002502712401  0.002636039811
  29  Al  3.947497673792  6.113030683095  6.255947768929  0.407759523120  -0.075959476200  -0.217649604955  -0.002288381921  0.001205447637  0.006203987294
  30  Al  6.108781164190  3.925868248256  6.100685428133  -0.127210380150  0.635867885371  -0.298792587185  0.001060031090  -0.003436979383  0.000438839354
  31  Al  6.188234030666  6.027327499080  4.023790062361  -0.312359139102  0.200662191457  -0.035232206939  0.003519207581  -0.001229733106  -0.001693677952


MDSTEP:  59
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -69.196828435519  -0.107506328231  0.955908057353
  -0.107506328231  -70.890898732182  -1.839167329525
  0.955908057353  -1.839167329525  -61.508822973144
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.979345067479  8.061015000687  8.023059784962  0.389542733637  0.023179716106  -0.061089483353  -0.003335279943  -0.001401812897  -0.003613069756
  1  Al  8.051136831597  1.941237791869  1.898655275760  0.233258479480  0.239764102263  0.083139339819  -0.000870461099  -0.002447818457  -0.004802386547
  2  Al  1.951255278304  7.977894855607  1.968594288298  0.007740166943  0.574910241329  0.262713047730  -0.002637926682  -0.003518286724  -0.001248918451
  3  Al  1.940926967543  1.981996735211  8.057914780185  -0.026614446010  -0.050638660367  0.001770536056  -0.003317377189  -0.001887180626  -0.002395280223
  4  Al  0.036192016216  8.003895437214  4.223651548378  0.155839459461  0.253767977295  -0.692676420634  0.002233291721  -0.003197170673  0.004520987630
  5  Al  0.016951576871  2.017697942733  6.140860332017  -0.010736240486  -0.089380428296  -0.300076940494  0.000620892903  -0.000656881749  0.001659102164
  6  Al  1.983579245322  8.098833280508  6.052446619088  0.120711626204  0.061909711805  0.190897986234  -0.001641129603  0.000859255598  -0.000295371028
  7  Al  2.011968449734  2.043789342172  4.131212864105  -0.052439671162  -0.139934937676  -0.203895776358  -0.000737342950  0.000155226530  0.002974065936
  8  Al  8.044368359652  4.156693412821  7.941765363022  0.018940927537  -0.291988942967  0.423303564580  -0.002189213192  0.003082676339  -0.004870704058
  9  Al  0.038245962019  6.057694128956  2.021563211684  -0.152648553374  -0.013150907993  0.042325856370  0.001165026686  -0.000736172444  0.000314768796
  10  Al  2.092021608137  3.942002102706  2.023179246341  -0.318110373600  0.346044834838  0.334334221065  0.001661900973  -0.002209155597  0.001235263195
  11  Al  2.044060637138  6.117584721151  0.152639908906  -0.109601109648  -0.120601821363  -0.318828109894  0.000105037354  0.001479080411  0.005795780566
  12  Al  8.050531815221  4.094557149277  3.957128420856  0.380924951387  -0.256150377003  0.229256435642  -0.000410035137  0.001232654036  -0.002530541030
  13  Al  0.008454423090  6.030630889713  5.969048632580  -0.093315006073  0.019997913591  0.374776130832  0.000031269437  -0.001636019495  -0.003056143664
  14  Al  1.992874082477  3.986577319581  6.112658499749  -0.024873547018  0.047826402832  -0.289269179107  -0.001695916087  -0.002963088332  0.000431282452
  15  Al  2.124705770957  6.084231253067  3.921983074791  -0.427445810032  -0.206799526300  0.473244622672  0.002222853658  -0.000365031270  -0.004141719422
  16  Al  4.195780331265  0.152513477943  0.011762380442  -0.076835737553  -0.383737606712  0.171283960200  0.005530821330  0.005126148169  0.001469881524
  17  Al  3.900234029256  1.898768265019  2.003081980302  0.409754056961  0.252062544924  0.103713056266  -0.004160867332  -0.004092980761  -0.000729757048
  18  Al  6.168465879176  7.969686520480  1.880489010430  -0.272084294545  0.454035370762  0.401621931025  0.002245200143  -0.004282069569  -0.004488066737
  19  Al  6.106770410345  2.152440477554  7.918894490903  -0.145712420484  -0.606488997948  0.722617119368  0.000274486865  0.002966655710  -0.005525679581
  20  Al  4.084195903395  0.142234482531  4.062004841698  -0.220675143830  -0.434793174600  0.062949976850  0.000515359050  0.003864278943  0.000409562868
  21  Al  4.087519530570  1.988319028474  6.120421635831  -0.031826950128  0.226376487321  0.034781418252  0.001565909213  -0.000628023833  0.002361906863
  22  Al  6.077554210874  0.033854988972  6.101431404727  -0.101703052364  0.074958615546  0.085701477630  -0.000022164395  0.002314232747  0.001523973429
  23  Al  6.180933837575  2.048407630488  4.028859326438  -0.221709951035  -0.000164807703  0.113522409486  0.003154586178  0.000884645600  0.000265355927
  24  Al  4.089446143745  4.026413483868  0.143769302186  0.053324795592  0.006868825053  -0.660687729663  0.002040674826  -0.001215987324  0.003461821905
  25  Al  4.003684215499  6.215954161706  2.152932744844  0.356798546749  -0.174822741629  -0.443775015996  -0.000834878705  0.004781397725  0.003625052437
  26  Al  5.999046330230  4.165296971646  1.932359924999  0.313734929703  -0.321615235733  0.396781095789  -0.002306462941  0.004033235144  -0.002464380432
  27  Al  6.015611789181  6.131084916498  0.119517726958  -0.021591524949  -0.260161590836  -0.771760392728  -0.002297892397  0.001281666451  0.002664708741
  28  Al  4.078422456034  4.114100647954  4.145180379685  -0.091349977018  -0.019267688649  -0.209029927438  0.000805319029  0.002499350577  0.002598535508
  29  Al  3.946371709535  6.113630011552  6.259040033717  0.406142487719  -0.075638845277  -0.217094811972  -0.002215619667  0.001191894856  0.006165121456
  30  Al  6.109305493477  3.924178181630  6.100891491889  -0.130245315263  0.658289006866  -0.312259896092  0.001037014736  -0.003321282689  0.000384211702
  31  Al  6.189979672115  6.026721602055  4.022941648518  -0.317194036802  0.205344540520  -0.028290502136  0.003462925980  -0.001193436396  -0.001699356836


MDSTEP:  60
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -68.706705743744  -0.095807872867  1.022996462189
  -0.095807872867  -70.444247103772  -1.826818988688
  1.022996462189  -1.826818988688  -60.937185968291
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.977694839927  8.060315130363  8.021250519407  0.394741597505  0.022831184024  -0.055934098431  -0.003698391062  -0.001583147795  -0.004104305542
  1  Al  8.050712027618  1.940024600010  1.896257798785  0.231310912474  0.244498788255  0.086270741636  -0.000938912087  -0.002723560690  -0.005422417607
  2  Al  1.949936660946  7.976161410526  1.967981572251  0.005785331657  0.596427972740  0.266698961153  -0.002986559952  -0.003866485961  -0.001361017537
  3  Al  1.939267089293  1.981050881368  8.056717219216  -0.025447203892  -0.050838293732  0.013379282677  -0.003762802074  -0.002147849371  -0.002711554426
  4  Al  0.037315628045  8.002308195214  4.225881079807  0.151638053122  0.263356241228  -0.705930148339  0.002560742644  -0.003569010176  0.004979212882
  5  Al  0.017261543416  2.017365506586  6.141676469768  -0.014063600618  -0.088963941207  -0.307272574788  0.000700762370  -0.000762096813  0.001817732835
  6  Al  1.982764076287  8.099265675649  6.052307466645  0.131343821257  0.052433807301  0.196243376565  -0.001833353042  0.000984841054  -0.000295358894
  7  Al  2.011597434224  2.043860700396  4.132690783005  -0.050700764011  -0.140769173068  -0.214517932199  -0.000845618475  0.000147397806  0.003326299181
  8  Al  8.043274599709  4.158221699190  7.939348932510  0.019538065768  -0.296511315753  0.432314520975  -0.002475783873  0.003432097013  -0.005430313537
  9  Al  0.038821652027  6.057325454893  2.021722488032  -0.160094994442  -0.013493559218  0.038084124050  0.001287934962  -0.000836546617  0.000364675034
  10  Al  2.092838339204  3.940912992987  2.023811822558  -0.323354187408  0.338954944192  0.336362586838  0.001817448474  -0.002432904999  0.001467074551
  11  Al  2.044108256685  6.118318870498  0.155523547688  -0.106183923357  -0.127436219666  -0.339525516667  0.000097123240  0.001650209800  0.006498105336
  12  Al  8.050343824861  4.095162026466  3.955873398021  0.381638146315  -0.266377806299  0.229004309933  -0.000387221225  0.001343292205  -0.002819891980
  13  Al  0.008465886661  6.029813773865  5.967537313106  -0.095859766317  0.019449120142  0.384959284806  0.000016262296  -0.001849093833  -0.003384704534
  14  Al  1.992025012594  3.985097913239  6.112861210747  -0.019352806236  0.058326139868  -0.292899952631  -0.001925410407  -0.003345484893  0.000429554506
  15  Al  2.125798091112  6.084039493568  3.919933368944  -0.431412093021  -0.210806518841  0.493036591147  0.002430815509  -0.000455751153  -0.004593400612
  16  Al  4.198542307400  0.155059399094  0.012504977536  -0.079439813565  -0.397162379344  0.166835755949  0.006248831894  0.005727216260  0.001699145239
  17  Al  3.898171911449  1.896733041744  2.002721737715  0.413587403504  0.257809852746  0.108932910222  -0.004629563292  -0.004584411609  -0.000805049261
  18  Al  6.169576317178  7.967565780913  1.878262929418  -0.269699449347  0.474839308143  0.412754481986  0.002488234154  -0.004756160383  -0.005001083664
  19  Al  6.106901140485  2.153896695569  7.916163951838  -0.141636809502  -0.617788653811  0.749574844628  0.000281808836  0.003236303274  -0.006109757091
  20  Al  4.084443718821  0.144147186904  4.062212436973  -0.221545532830  -0.437841247513  0.069309731826  0.000538957777  0.004288631796  0.000477296831
  21  Al  4.088301062524  1.988015135505  6.121604143979  -0.034806282621  0.229757022283  0.027949796692  0.001766928348  -0.000665162216  0.002681639355
  22  Al  6.077538582586  0.035015455969  6.102197222267  -0.108259459848  0.066161593300  0.083114855195  -0.000046366177  0.002635577525  0.001743270307
  23  Al  6.182501220309  2.048849945922  4.028997078812  -0.222972087172  0.000734599055  0.105682108637  0.003528111083  0.001002079002  0.000322760469
  24  Al  4.090468864757  4.025805797240  0.145470680635  0.049216444993  0.010886730023  -0.673354473368  0.002321817113  -0.001375527852  0.003786053784
  25  Al  4.003282724913  6.218337046055  2.154725434479  0.368537073480  -0.175423238626  -0.454077543467  -0.000872203169  0.005380332366  0.004015110856
  26  Al  5.997907122598  4.167299213133  1.931145470756  0.324776139708  -0.337160261466  0.407295085542  -0.002547830671  0.004501660823  -0.002709935553
  27  Al  6.014461877849  6.131714120594  0.120815583917  -0.024204702632  -0.265545160862  -0.795911721004  -0.002607416530  0.001398485773  0.002859521243
  28  Al  4.078821032238  4.115349461984  4.146470303877  -0.091348246091  -0.021854290640  -0.206666198437  0.000893669420  0.002826802980  0.002901218167
  29  Al  3.945282054125  6.114222577951  6.262112890386  0.407556818114  -0.076028650804  -0.216271017484  -0.002427194503  0.001334678730  0.006939233222
  30  Al  6.109818178926  3.922546965567  6.101069639835  -0.135093269981  0.679000774189  -0.325035012608  0.001147738521  -0.003626538824  0.000370656276
  31  Al  6.191696956646  6.026134062683  4.022090705525  -0.324194815006  0.208532633363  -0.020407161033  0.003857443030  -0.001309873223  -0.001929760447


MDSTEP:  61
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -68.157975036765  -0.082504123684  1.100837687302
  -0.082504123684  -69.933799849616  -1.807597676036
  1.100837687302  -1.807597676036  -60.289578129907
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.975863289204  8.059524577011  8.019195866402  0.404915636198  0.020632874713  -0.049258930099  -0.003626902281  -0.001579262140  -0.004113709723
  1  Al  8.050252911089  1.938673748672  1.893550446253  0.233468363801  0.248100128514  0.092325082825  -0.000897361154  -0.002679522702  -0.005406451269
  2  Al  1.948443639572  7.974254827661  1.967312984830  -0.000654770959  0.618765948973  0.273044986184  -0.002986101283  -0.003757848499  -0.001312764817
  3  Al  1.937384550775  1.979974684229  8.055362040052  -0.027951264498  -0.051913259668  0.027035135535  -0.003767575858  -0.002157035286  -0.002707941406
  4  Al  0.038602777533  8.000535462056  4.228339131424  0.149895167044  0.272761600519  -0.721627432717  0.002587699497  -0.003521081627  0.004851590261
  5  Al  0.017611295963  2.016980481523  6.142571601212  -0.013363981021  -0.089837597538  -0.317784809469  0.000698310364  -0.000778081542  0.001761853155
  6  Al  1.981853270787  8.099760439948  6.052168559207  0.139009639429  0.040608488824  0.200309105964  -0.001809183637  0.000993158969  -0.000259907387
  7  Al  2.011172358681  2.043928106968  4.134344343721  -0.053346025103  -0.142717396835  -0.226876662080  -0.000854920183  0.000122054311  0.003286838821
  8  Al  8.042037581117  4.159924493747  7.936653100045  0.025444347373  -0.299652657746  0.443098434868  -0.002471762478  0.003378800383  -0.005352052249
  9  Al  0.039458463319  6.056906578428  2.021906527896  -0.164165743522  -0.012375377147  0.034962182670  0.001258946285  -0.000838859281  0.000371205321
  10  Al  2.093732609625  3.939711691652  2.024560395120  -0.333434530317  0.332898219230  0.339790279299  0.001758732035  -0.002372841810  0.001527522131
  11  Al  2.044152071922  6.119138279045  0.158757423687  -0.106436001128  -0.134667968845  -0.361144520712  0.000078115172  0.001626777874  0.006435465939
  12  Al  8.050167273336  4.095821765576  3.954473688441  0.386770380125  -0.276326922572  0.228210152097  -0.000318526056  0.001294774793  -0.002779017336
  13  Al  0.008469732912  6.028890096317  5.965862168380  -0.094628459287  0.020591276766  0.393982238675  -0.000000767214  -0.001845514250  -0.003315067723
  14  Al  1.991061442327  3.983427777949  6.113062895477  -0.017268022176  0.071267827700  -0.298743156958  -0.001928684283  -0.003333899286  0.000376662038
  15  Al  2.126994214901  6.083802195016  3.917658707196  -0.440306814825  -0.214294993585  0.514222399809  0.002352884466  -0.000493754922  -0.004503352383
  16  Al  4.201663172416  0.157905254208  0.013362007654  -0.086155329745  -0.414256268687  0.162482274644  0.006234027807  0.005654676017  0.001728586034
  17  Al  3.895875617011  1.894452359947  2.002324082346  0.412996319133  0.263033729476  0.116645679120  -0.004555667302  -0.004537848567  -0.000784882698
  18  Al  6.170808378786  7.965208925868  1.875780837563  -0.262094903844  0.496501990966  0.427879488825  0.002440692121  -0.004669323170  -0.004925931592
  19  Al  6.107035713788  2.155487232275  7.913142579018  -0.132921631129  -0.631618327497  0.780093914838  0.000257263509  0.003124607189  -0.005973005804
  20  Al  4.084703294704  0.146271931455  4.062454183509  -0.226050811423  -0.443133625283  0.075536655534  0.000498942986  0.004209873276  0.000490245994
  21  Al  4.089182970869  1.987692824453  6.122946213002  -0.042734644983  0.232395469193  0.018563078657  0.001759996244  -0.000623846116  0.002685797572
  22  Al  6.077510560339  0.036336202131  6.103072572625  -0.110975550255  0.054377445071  0.077726359955  -0.000065965629  0.002646353628  0.001757649396
  23  Al  6.184255309079  2.049351018259  4.029163182999  -0.219288230457  0.000042327569  0.096024892602  0.003488573329  0.001002148459  0.000340792930
  24  Al  4.091631973271  4.025118519947  0.147333608824  0.039713156205  0.017178866783  -0.686297283351  0.002329767355  -0.001373018808  0.003664501895
  25  Al  4.002863096802  6.221019370882  2.156712692804  0.377040260330  -0.175083797423  -0.463829092142  -0.000805549092  0.005348997289  0.003933050663
  26  Al  5.996647724639  4.169534972602  1.929808708923  0.340783668099  -0.352623290249  0.421240228427  -0.002488330104  0.004439994670  -0.002635865092
  27  Al  6.013157087642  6.132401493707  0.122209767571  -0.023274528021  -0.269847137884  -0.821662528412  -0.002611661139  0.001350622087  0.002714911269
  28  Al  4.079263783714  4.116761886595  4.147911675056  -0.095722447593  -0.022866537350  -0.204983835241  0.000876945434  0.002822804970  0.002864416950
  29  Al  3.944086674516  6.114886518863  6.265572839760  0.404302098735  -0.075308463638  -0.216838384704  -0.002354614900  0.001321149301  0.006900513553
  30  Al  6.110386009566  3.920764047245  6.101240439025  -0.136300529020  0.703139862435  -0.341476995626  0.001123476110  -0.003502976446  0.000311070582
  31  Al  6.193611186770  6.025488447405  4.021124913109  -0.327264817166  0.214227565215  -0.012648939018  0.003799203008  -0.001272078766  -0.001932715639


MDSTEP:  62
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -67.605364801059  -0.067747873685  1.183163680547
  -0.067747873685  -69.419593013571  -1.783408094495
  1.183163680547  -1.783408094495  -59.650867056715
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.974067937647  8.058735868224  8.017136809684  0.410068892299  0.019960857069  -0.043774463017  -0.003554043250  -0.001575633089  -0.004122026841
  1  Al  8.049814666464  1.937345077308  1.890851347516  0.230374978698  0.253231507540  0.094345563627  -0.000855893893  -0.002634704014  -0.005389763048
  2  Al  1.946950559663  7.972403562027  1.966668807434  -0.001016516171  0.642036747259  0.276075093463  -0.002986250695  -0.003645133645  -0.001263673877
  3  Al  1.935499513434  1.978893846082  8.054009277810  -0.024608459713  -0.052011490819  0.039357401601  -0.003772274660  -0.002166326084  -0.002702005961
  4  Al  0.039903327541  7.998787113588  4.230732670068  0.143976187186  0.282994118254  -0.734988936276  0.002613971384  -0.003471397465  0.004721369806
  5  Al  0.017959853780  2.016587425044  6.143438322923  -0.017919445597  -0.089550489481  -0.324535185450  0.000695513648  -0.000794118708  0.001704430209
  6  Al  1.980954892650  0.000262586874  6.052047559258  0.152728623107  0.029743058277  0.207683016712  -0.001783102447  0.000999448346  -0.000223433185
  7  Al  2.010742514041  2.043982754707  4.135977621827  -0.049435045197  -0.143802074903  -0.237592074546  -0.000864108737  0.000096439676  0.003245315651
  8  Al  8.040802837231  4.161600499572  7.933996880261  0.026030510528  -0.304499465275  0.452507377448  -0.002467160663  0.003324789618  -0.005271985734
  9  Al  0.040080598312  6.056486595613  2.022093693353  -0.172972336945  -0.012487782548  0.028867478082  0.001228806383  -0.000841082029  0.000376911647
  10  Al  2.094597071239  3.938540151177  2.025339344689  -0.337140074880  0.325115357316  0.339942812286  0.001698783148  -0.002314015870  0.001588289780
  11  Al  2.044186371857  6.119945648373  0.161959013626  -0.100577491708  -0.142566080490  -0.385121675389  0.000059608315  0.001601993350  0.006368750278
  12  Al  8.050025298805  4.096456801259  3.953094380684  0.386252350970  -0.287239637561  0.228416876316  -0.000249418380  0.001244392348  -0.002738195209
  13  Al  0.008465119447  6.027968259615  5.964222245383  -0.097765449830  0.020404941856  0.406345693141  -0.000017967091  -0.001841849218  -0.003243518982
  14  Al  1.990096328311  3.981764013953  6.113237872785  -0.009232800514  0.083213010527  -0.300895435077  -0.001931053438  -0.003320088810  0.000323054779
  15  Al  2.128150975578  6.083545738646  3.915430016561  -0.442906405806  -0.218468718893  0.536390651788  0.002273925839  -0.000532443686  -0.004409428333
  16  Al  4.204776335207  0.160714075111  0.014233563570  -0.089142669765  -0.429674309224  0.156433521959  0.006218356292  0.005579229231  0.001757096877
  17  Al  3.893616244147  1.892195193177  2.001936855017  0.417638681125  0.269234919966  0.121205465899  -0.004481409131  -0.004490264133  -0.000763618977
  18  Al  6.172017009299  7.962896457743  1.873336997826  -0.260728391615  0.519350542495  0.439260614296  0.002393952095  -0.004578506684  -0.004848409890
  19  Al  6.107158403994  2.157021302758  7.910190946033  -0.129698487056  -0.643986517922  0.809337367600  0.000233785459  0.003010569034  -0.005830911792
  20  Al  4.084942661807  0.148357060180  4.062702682967  -0.225984624201  -0.446327392571  0.083445631440  0.000458531344  0.004130356101  0.000504458896
  21  Al  4.090061058768  1.987391289389  6.124289941551  -0.045802886675  0.235863922005  0.011933831482  0.001752081053  -0.000581984063  0.002688523974
  22  Al  6.077472616957  0.037661809597  6.103954871663  -0.119932957489  0.044456819672  0.075327653770  -0.000086608684  0.002655189340  0.001771332315
  23  Al  6.185989793638  2.049852094380  4.029337871742  -0.222344969793  0.000633984432  0.088166704358  0.003449091639  0.001002208921  0.000357259526
  24  Al  4.092798632112  4.024432778433  0.149135182530  0.034742437903  0.021827280826  -0.700880324385  0.002336423632  -0.001369531686  0.003540489216
  25  Al  4.002477175820  6.223686043344  2.158658485142  0.390501788713  -0.175267347218  -0.476400241136  -0.000736931386  0.005317676149  0.003848994838
  26  Al  5.995418792494  4.171739207803  1.928509605664  0.351484401722  -0.369331448773  0.431821898964  -0.002426441836  0.004375452436  -0.002559601951
  27  Al  6.011850216710  6.133064742681  0.123530495186  -0.027888176370  -0.275492327044  -0.848850734619  -0.002616235048  0.001301869131  0.002565568586
  28  Al  4.079697977672  4.118172266954  4.149334720827  -0.095024357754  -0.025627957143  -0.201438777040  0.000859892807  0.002818469597  0.002828083061
  29  Al  3.942927439224  6.115543727252  6.269013403939  0.405906072658  -0.075411188652  -0.214330380557  -0.002282182873  0.001307675073  0.006861967376
  30  Al  6.110941655037  3.919043989121  6.101380710417  -0.143253430131  0.725706523519  -0.354576178798  0.001098484188  -0.003375238608  0.000248843929
  31  Al  6.195496159654  6.024861983917  4.020157989886  -0.336329947696  0.217970637503  -0.003480247939  0.003739878114  -0.001233440558  -0.001934157576


MDSTEP:  63
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -67.060451876467  -0.053558096572  1.266596516919
  -0.053558096572  -68.900854048547  -1.754458482662
  1.266596516919  -1.754458482662  -59.011648604748
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.972309245954  8.057948943922  8.015073839560  0.418365113066  0.018639521614  -0.036458248374  -0.003479981846  -0.001572182243  -0.004129199588
  1  Al  8.049397017196  1.936039044658  1.888160683205  0.230220258784  0.258036540257  0.099333212133  -0.000814717010  -0.002588997019  -0.005372448305
  2  Al  1.945457388877  7.970609694016  1.966049310953  -0.005784510718  0.664226572528  0.281481805492  -0.002986858702  -0.003528354644  -0.001213828692
  3  Al  1.933612276115  1.977808358145  8.052660034091  -0.025330669479  -0.051840455208  0.053341546175  -0.003776739182  -0.002175610373  -0.002693718742
  4  Al  0.041216748917  7.997064064590  4.233060501230  0.139996957345  0.292663591361  -0.750250823480  0.002639358379  -0.003419934080  0.004588590440
  5  Al  0.018306809611  2.016186362815  6.144276031421  -0.019602054709  -0.089153962135  -0.333928177361  0.000692159253  -0.000810094757  0.001645564059
  6  Al  1.980070168341  0.000763640551  6.051945126022  0.161754590947  0.018721819952  0.212607631688  -0.001754987874  0.001003781072  -0.000185859503
  7  Al  2.010308249944  2.044024546644  4.137589659372  -0.050369687543  -0.144621917084  -0.249920648965  -0.000873031208  0.000070654779  0.003201732364
  8  Al  8.039570420454  4.163249283365  7.931381114311  0.030230627680  -0.308560598547  0.463344854021  -0.002462130957  0.003269982489  -0.005190109204
  9  Al  0.040687269702  6.056065496398  2.022283439543  -0.178887252047  -0.012508379525  0.025161543811  0.001197350389  -0.000843316668  0.000381741803
  10  Al  2.095431392773  3.937397675782  2.026148684900  -0.345147435698  0.318243122467  0.341850198687  0.001637787135  -0.002256500085  0.001649241585
  11  Al  2.044211680237  6.120740272395  0.165126173965  -0.099198398393  -0.150982419777  -0.406259759337  0.000041748494  0.001575750325  0.006298001347
  12  Al  8.049917854956  4.097066157924  3.951735493232  0.388652179576  -0.297607088987  0.227025769864  -0.000180142472  0.001192107472  -0.002697478964
  13  Al  0.008451765821  6.027048247099  5.962618649398  -0.098134876158  0.020384987873  0.415759799631  -0.000035480440  -0.001838202627  -0.003170023342
  14  Al  1.989130388890  3.980107689139  6.113385950257  -0.005875878903  0.095315180839  -0.305258081012  -0.001932404143  -0.003304128518  0.000268865091
  15  Al  2.129268140740  6.083269751330  3.913249278864  -0.450083621576  -0.222751214799  0.556248323043  0.002194093173  -0.000571888431  -0.004311747195
  16  Al  4.207881528708  0.163484483439  0.015119104531  -0.094649579324  -0.445463015147  0.152223220708  0.006201925397  0.005500992584  0.001784690568
  17  Al  3.891394207881  1.889962095814  2.001560463369  0.418591266958  0.275587388030  0.128035553590  -0.004406650775  -0.004441557411  -0.000741337009
  18  Al  6.173202330881  7.960630419183  1.870932427672  -0.254310144237  0.541230828431  0.453661880747  0.002347908021  -0.004483691473  -0.004768583262
  19  Al  6.107269499248  2.158497801309  7.907311667226  -0.121956976508  -0.656043571238  0.839477331934  0.000211287642  0.002894347279  -0.005683508944
  20  Al  4.085161826048  0.150402287557  4.062958642405  -0.228248313882  -0.450223714823  0.089256863540  0.000417923246  0.004050205077  0.000519898375
  21  Al  4.090935051922  1.987110840390  6.125634736976  -0.051916823224  0.239315032945  0.003088412674  0.001743344981  -0.000539503406  0.002689866952
  22  Al  6.077423951655  0.038991391471  6.104843904939  -0.123967364897  0.033931652320  0.070048124061  -0.000108413197  0.002662197213  0.001784328805
  23  Al  6.187704400718  2.050353227180  4.029520442525  -0.220189260331  0.001053606741  0.078467916523  0.003409529397  0.001002359790  0.000372156541
  24  Al  4.093968396903  4.023748988261  0.150874098040  0.026440867690  0.027022430392  -0.712739221571  0.002341893375  -0.001365164557  0.003414112646
  25  Al  4.002126165417  6.226337047031  2.160561687642  0.400535238322  -0.175633546024  -0.486469196845  -0.000666213245  0.005286305862  0.003762915003
  26  Al  5.994221282803  4.173910425038  1.927249106972  0.366072637370  -0.385071877783  0.444970534986  -0.002362292753  0.004308009321  -0.002481217339
  27  Al  6.010540852594  6.133703362839  0.124775336157  -0.028080675678  -0.280906665151  -0.873311874051  -0.002621238624  0.001252127462  0.002411608488
  28  Al  4.080123676521  4.119580356192  4.150739758117  -0.097176758970  -0.027619959242  -0.200121615902  0.000842710166  0.002813709272  0.002792183851
  29  Al  3.941804491643  6.116194193936  6.272434807136  0.404092126164  -0.075648135043  -0.214080353237  -0.002209769617  0.001294170478  0.006823667765
  30  Al  6.111484493754  3.917388808638  6.101489282954  -0.145508223197  0.748111962157  -0.370125305105  0.001072669104  -0.003243480296  0.000184056138
  31  Al  6.197351064883  6.024255006848  4.019190755532  -0.340533358427  0.222152282606  0.003538781931  0.003679367021  -0.001194093885  -0.001934152344


MDSTEP:  64
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -66.514453812794  -0.037314910717  1.353498239743
  -0.037314910717  -68.379181430621  -1.719624168571
  1.353498239743  -1.719624168571  -58.379817622177
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.970587955800  8.057163685980  8.013007610096  0.425167555460  0.017535695465  -0.030492640872  -0.003404570633  -0.001568948205  -0.004135184949
  1  Al  8.048999949453  1.934756080290  1.885478899212  0.228317752230  0.262622822602  0.102499433654  -0.000773724042  -0.002542450446  -0.005354404611
  2  Al  1.943963700961  7.968875207383  1.965454978742  -0.007593777412  0.686365670565  0.285362816441  -0.002988054711  -0.003407612670  -0.001163153190
  3  Al  1.931722774252  1.976718235709  8.051315559068  -0.022987215392  -0.052147664684  0.065742950688  -0.003781058766  -0.002184906836  -0.002683072673
  4  Al  0.042542685920  7.995367179507  4.235321260508  0.134883440335  0.302346253949  -0.763490630053  0.002663932489  -0.003366740628  0.004453263044
  5  Al  0.018652013032  2.015777330286  6.145083886981  -0.022977630427  -0.089033591224  -0.341524643799  0.000688352659  -0.000826024596  0.001585179062
  6  Al  1.979199904776  0.001266367946  6.051861699755  0.173808110590  0.007894762106  0.219094725841  -0.001724988810  0.001006160575  -0.000147265623
  7  Al  2.009869482833  2.044053409486  4.139179354191  -0.048117989276  -0.146011325381  -0.260519051837  -0.000881835935  0.000044672376  0.003156099422
  8  Al  8.038340706273  4.164870482062  7.928806771057  0.032818097790  -0.312802945048  0.472669066172  -0.002456494447  0.003214433036  -0.005106430233
  9  Al  0.041277948701  6.055643278944  2.022475435156  -0.186082728691  -0.012218594176  0.019934843247  0.001164722336  -0.000845527242  0.000385773387
  10  Al  2.096234858374  3.936283651092  2.026988586273  -0.349959988008  0.310934033004  0.342057948019  0.001575645032  -0.002200252100  0.001710382481
  11  Al  2.044228120351  6.121521398698  0.168257014973  -0.094989477655  -0.158821454084  -0.429170010308  0.000024388237  0.001548054082  0.006223314527
  12  Al  8.049845156333  4.097648908730  3.950396901721  0.389204029192  -0.307826652093  0.227026892449  -0.000110602687  0.001137982131  -0.002656886983
  13  Al  0.008429639007  6.026130056988  5.961052222041  -0.099725063167  0.020608075221  0.426710609602  -0.000053168976  -0.001834537877  -0.003094707094
  14  Al  1.988163924169  3.978459885434  6.113506737876  0.000252216804  0.107200352834  -0.307820771247  -0.001932906894  -0.003286023775  0.000214056283
  15  Al  2.130345068751  6.082973850215  3.911118269366  -0.454232783663  -0.226315651675  0.577146019155  0.002113247938  -0.000612034686  -0.004210422556
  16  Al  4.210978260605  0.166215067694  0.016018254138  -0.099581380183  -0.460835837057  0.146279759184  0.006184561289  0.005419970118  0.001811376519
  17  Al  3.889209593372  1.887753635766  2.001195518008  0.421219174111  0.281580722798  0.133433114170  -0.004331572326  -0.004391746983  -0.000717961898
  18  Al  6.174364917320  7.958412766270  1.868568414564  -0.250782942379  0.563096628645  0.466283807009  0.002302753062  -0.004384965393  -0.004686340780
  19  Al  6.107369691636  2.159915650037  7.904507437089  -0.116773652593  -0.667964733130  0.867979941349  0.000189945296  0.002775981890  -0.005530863493
  20  Al  4.085360585053  0.152407265257  4.063222581342  -0.229187096690  -0.453684343857  0.096610197353  0.000377028849  0.003969396347  0.000536514756
  21  Al  4.091804403749  1.986851785983  6.126979808503  -0.056894619119  0.242103467455  -0.004393166325  0.001733617316  -0.000496464939  0.002689750308
  22  Al  6.077364203760  0.040324006810  6.105739200468  -0.130952920782  0.023813899849  0.065958816072  -0.000131202887  0.002667359624  0.001796487727
  23  Al  6.189399323036  2.050854454170  4.029710028283  -0.221182940817  0.001163852438  0.070372665663  0.003370071040  0.001002558029  0.000385462782
  24  Al  4.095140525488  4.023067613876  0.152549295176  0.019332188367  0.031713378793  -0.725866468362  0.002345985454  -0.001359913618  0.003285502332
  25  Al  4.001810962575  6.228972349206  2.162421400145  0.411948110274  -0.175289377073  -0.497562672551  -0.000593577818  0.005254933605  0.003674943262
  26  Al  5.993056499741  4.176047217124  1.926028388325  0.377850982281  -0.400860039817  0.456384387029  -0.002295786517  0.004237747573  -0.002400636857
  27  Al  6.009228978086  6.134316870143  0.125942103674  -0.030821444318  -0.286119218765  -0.898866590370  -0.002626504431  0.001201435756  0.002253177008
  28  Al  4.080540687838  4.120985976225  4.152126904678  -0.097743945044  -0.029969180540  -0.197234656946  0.000825284395  0.002808560844  0.002756660486
  29  Al  3.940717669608  6.116837897730  6.275837071703  0.403706430402  -0.075268285304  -0.212641549976  -0.002137553007  0.001280678659  0.006785519134
  30  Al  6.112014324141  3.915800508826  6.101564766555  -0.150314601280  0.769840209056  -0.384000626780  0.001046222756  -0.003107776464  0.000116637822
  31  Al  6.199175526675  6.023667890032  4.018223837543  -0.347605890942  0.226349069128  0.012035486330  0.003617847867  -0.001153998187  -0.001932760015


MDSTEP:  65
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -65.977559863682  -0.020988141392  1.441541716416
  -0.020988141392  -67.854346543839  -1.680497687185
  1.441541716416  -1.680497687185  -57.748959515121
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.968904675321  8.056379995717  8.010938654611  0.434604682902  0.015602445563  -0.022777571140  -0.003327707613  -0.001565985679  -0.004139947268
  1  Al  8.048623293153  1.933496594212  1.882806278594  0.229045592885  0.267125988321  0.108863212233  -0.000732836088  -0.002495091284  -0.005335508943
  2  Al  1.942469334166  7.967202081346  1.964886157763  -0.013300186750  0.707084969477  0.291743251317  -0.002989922617  -0.003283039186  -0.001111560323
  3  Al  1.929831217349  1.975623451309  8.049976961418  -0.024423586555  -0.051657280625  0.079746037243  -0.003785297258  -0.002194186924  -0.002670066062
  4  Al  0.043880681406  7.993697323962  4.237513764274  0.131129514810  0.311174482263  -0.778582629027  0.002687713856  -0.003311892316  0.004315402804
  5  Al  0.018995162270  2.015360338219  6.145861210484  -0.023754516439  -0.088467554983  -0.352057121568  0.000684174839  -0.000841893071  0.001523173352
  6  Al  1.978345179531  0.001769801126  6.051797860399  0.181664405155  -0.003517702138  0.222697629669  -0.001693209823  0.001006551881  -0.000107769705
  7  Al  2.009426414009  2.044069219020  4.140745758794  -0.050234414132  -0.146624118865  -0.272521356628  -0.000890628570  0.000018510978  0.003108445993
  8  Al  8.037113926007  4.166463716400  7.926274684078  0.038826154586  -0.316178194029  0.483226754229  -0.002450089502  0.003158202574  -0.005020973834
  9  Al  0.041851992038  6.055219969156  2.022669212930  -0.190832904856  -0.012031353825  0.017402650524  0.001131026349  -0.000847695170  0.000389111332
  10  Al  2.097007037805  3.935197423682  2.027859067381  -0.358464170925  0.304753161780  0.344263516993  0.001512312422  -0.002145210108  0.001771739126
  11  Al  2.044236068474  6.122288326477  0.171349488492  -0.094553401678  -0.167587847635  -0.449340440300  0.000007443240  0.001518873325  0.006144776325
  12  Al  8.049807252269  4.098204140055  3.949078606250  0.392307808062  -0.317434893625  0.225477524263  -0.000040736091  0.001082084199  -0.002616433413
  13  Al  0.008398596845  6.025213709223  5.959523942305  -0.098712839193  0.020887930018  0.434393033980  -0.000070909181  -0.001830828164  -0.003017725048
  14  Al  1.987197481996  3.976821665364  6.113600006539  0.002359144531  0.119574307234  -0.312892652342  -0.001932673440  -0.003265750284  0.000158564949
  15  Al  2.131381388678  6.082657716644  3.909038856307  -0.462341126277  -0.230463100207  0.596079972857  0.002031306890  -0.000652870377  -0.004105536997
  16  Al  4.214066089998  0.168904453557  0.016930481050  -0.106401096691  -0.476926010336  0.142063834816  0.006166146604  0.005336134884  0.001837154229
  17  Al  3.887062635555  1.885570348832  2.000842501471  0.420522037630  0.287971966296  0.141248079534  -0.004256321267  -0.004340829382  -0.000693405597
  18  Al  6.175505083943  7.956245453791  1.866246086893  -0.242690284850  0.583779048025  0.482121376885  0.002258636911  -0.004282435533  -0.004601554039
  19  Al  6.107459444543  2.161273783199  7.901780803734  -0.107725000808  -0.679321081531  0.897032599800  0.000169875278  0.002655535508  -0.005373072642
  20  Al  4.085538854897  0.154371683904  4.063495157161  -0.232015178577  -0.457850885073  0.102213037977  0.000335797698  0.003887905754  0.000554289410
  21  Al  4.092668669238  1.986614375451  6.128324487284  -0.064308604081  0.245156026841  -0.014319157671  0.001722781836  -0.000452904291  0.002688077440
  22  Al  6.077292748768  0.041658751094  6.106640392667  -0.133748026461  0.012931943498  0.058810163916  -0.000154866961  0.002670644676  0.001807641984
  23  Al  6.191074471758  2.051355785209  4.029905905307  -0.217376831342  0.001144629105  0.060627051226  0.003330864112  0.001002764406  0.000397174062
  24  Al  4.096314382356  4.022389074643  0.154159600372  0.009257541311  0.037378837403  -0.736365724399  0.002348541355  -0.001353736824  0.003154779826
  25  Al  4.001532587599  6.231591980636  2.164236630903  0.420094188717  -0.175588788507  -0.506303206827  -0.000519193835  0.005223565350  0.003585198375
  26  Al  5.991925496285  4.178148172611  1.924848470114  0.392975859768  -0.415342768307  0.470524211870  -0.002226875152  0.004164779630  -0.002317771896
  27  Al  6.007914348163  6.134904798595  0.127028513165  -0.029975741072  -0.291236488498  -0.921818950337  -0.002631939655  0.001149820571  0.002090409031
  28  Al  4.080948960916  4.122388917036  4.153496418603  -0.101140980908  -0.031414595527  -0.196343824027  0.000807504226  0.002803073179  0.002721474853
  29  Al  3.939666938636  6.117474872594  6.279220326269  0.400219271181  -0.075299947508  -0.213465390196  -0.002065682628  0.001267217967  0.006747425480
  30  Al  6.112530716510  3.914281032174  6.101605920776  -0.151121518578  0.791515100530  -0.400308546261  0.001019274584  -0.002968192423  0.000046521147
  31  Al  6.200968912751  6.023101008660  4.017257995517  -0.349885791368  0.230861774865  0.018562631391  0.003555492613  -0.001113123867  -0.001930024565


MDSTEP:  66
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -65.441378214031  -0.003340292993  1.534115724841
  -0.003340292993  -67.328540878591  -1.635608504059
  1.534115724841  -1.635608504059  -57.131251256729
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.967260248187  8.055597700301  8.008867662828  0.439845675124  0.015213116393  -0.016574635866  -0.003249532381  -0.001563230790  -0.004143465327
  1  Al  8.048267113365  1.932260989006  1.880143390269  0.225359345914  0.272242211636  0.110515913805  -0.000692212614  -0.002446872155  -0.005315896607
  2  Al  1.940973778344  7.965592168197  1.964343418419  -0.014595982453  0.728899883297  0.294140708220  -0.002992416514  -0.003154663173  -0.001059182719
  3  Al  1.927937476995  1.974524048785  8.048645493006  -0.021525814873  -0.051168531516  0.091917100591  -0.003789405101  -0.002203379478  -0.002654719501
  4  Al  0.045230399776  7.992055287191  4.239636663312  0.123819963156  0.320886250954  -0.790738390049  0.002710506155  -0.003255386541  0.004175106634
  5  Al  0.019336187872  2.014935437216  6.146607060333  -0.029080274273  -0.087706222146  -0.358142139836  0.000679451447  -0.000857642880  0.001459682049
  6  Al  1.977506694953  0.002272919827  6.051753930050  0.193691418213  -0.013413086278  0.230461410362  -0.001659653282  0.001005038281  -0.000067257613
  7  Al  2.008978854264  2.044071920464  4.142287800184  -0.047429272220  -0.147427966637  -0.282405122407  -0.000899359633  -0.000007777067  0.003058835965
  8  Al  8.035890616771  4.168028684636  7.923785797223  0.040256115824  -0.321222999875  0.492213058953  -0.002443019604  0.003101219366  -0.004933770217
  9  Al  0.042408975051  6.054795583774  2.022864546488  -0.199608076113  -0.012191758889  0.011123580027  0.001096121207  -0.000849860699  0.000391661557
  10  Al  2.097747170796  3.934138440985  2.028760325399  -0.362268818248  0.296851960108  0.342375159905  0.001447879411  -0.002091427043  0.001833124129
  11  Al  2.044235563591  6.123040272023  0.174401791298  -0.089792138441  -0.176119541919  -0.471991347560  -0.000009037118  0.001488146132  0.006062409926
  12  Al  8.049804420241  4.098730992929  3.947780468307  0.390398189755  -0.327728594104  0.225491375792  0.000029237262  0.001024407047  -0.002576117118
  13  Al  0.008358729826  6.024299228824  5.958034496993  -0.101577098232  0.020720055052  0.445852841989  -0.000088814958  -0.001827108440  -0.002939031700
  14  Al  1.986231250728  3.975194135150  6.113665302825  0.008709950726  0.130528557348  -0.313530707915  -0.001931683871  -0.003243391268  0.000102563152
  15  Al  2.132376375641  6.082320979838  3.907012732369  -0.465881446651  -0.234380144122  0.615882393953  0.001948324460  -0.000694427029  -0.003997188433
  16  Al  4.217144407209  0.171551202578  0.017855408367  -0.110256615224  -0.491280646377  0.135845547124  0.006146777561  0.005249577906  0.001861999128
  17  Al  3.884953272105  1.883412806384  2.000502112411  0.424290766232  0.294416879021  0.145309872977  -0.004180795611  -0.004288764239  -0.000667787522
  18  Al  6.176623554230  7.954130330738  1.863966860525  -0.239254158567  0.605345162633  0.493492477192  0.002215551424  -0.004176128684  -0.004514334862
  19  Al  6.107539566914  2.162571185545  7.899134364447  -0.102554556439  -0.689915243796  0.924371015840  0.000151076437  0.002533126766  -0.005210240469
  20  Al  4.085696382751  0.156295171011  4.063776870752  -0.230813851721  -0.460049998371  0.109452226413  0.000294421116  0.003805846076  0.000573212133
  21  Al  4.093527185585  1.986398881692  6.129667885943  -0.067757999058  0.248381944346  -0.020682706070  0.001710975176  -0.000408782351  0.002684948298
  22  Al  6.077209336798  0.042994651486  6.107546842452  -0.140687090466  0.003975251021  0.055224238273  -0.000179401263  0.002672156167  0.001817836578
  23  Al  6.192730187148  2.051857218576  4.030107202345  -0.218780778099  0.001706849306  0.053089885023  0.003291871936  0.001003019326  0.000407340275
  24  Al  4.097489066842  4.021713877052  0.155704075002  0.003036250889  0.041192619535  -0.748992153366  0.002349640411  -0.001346712592  0.003021989901
  25  Al  4.001291768740  6.234195914556  2.166006598519  0.432608087028  -0.175450922236  -0.518164092617  -0.000442962865  0.005192182652  0.003493611735
  26  Al  5.990829624589  4.180211996754  1.923710616429  0.404326412288  -0.430949591958  0.480635745392  -0.002155596903  0.004089121702  -0.002232738880
  27  Al  6.006597038431  6.135466690714  0.128032512705  -0.032816560099  -0.296608173293  -0.946059185382  -0.002637553242  0.001097267681  0.001923422070
  28  Al  4.081348192064  4.123789049404  4.154848379532  -0.099833360778  -0.034554103539  -0.193236386864  0.000789537264  0.002797175624  0.002686646663
  29  Al  3.938651986980  6.118105115697  6.282584497183  0.400808488642  -0.075471436723  -0.210623336042  -0.001994071323  0.001253739114  0.006709512253
  30  Al  6.113033598725  3.912832316403  6.101611287702  -0.155946065598  0.811078456080  -0.412761520691  0.000991822963  -0.002824921712  -0.000026166732
  31  Al  6.202731019288  6.022554766165  4.016293812977  -0.356690706238  0.234199765051  0.026507172834  0.003492325183  -0.001071547700  -0.001925995357


MDSTEP:  67
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -64.913561893607  0.014039620454  1.626900669321
  0.014039620454  -66.803037812676  -1.585378939560
  1.626900669321  -1.585378939560  -56.515761243844
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.965655142940  8.054816764927  8.006795189284  0.448690095352  0.013188426905  -0.009616796957  -0.003170097922  -0.001560691712  -0.004145806822
  1  Al  8.047931080540  1.931049722057  1.877490381987  0.225173662017  0.276142556878  0.116165514886  -0.000651935287  -0.002397846951  -0.005295631450
  2  Al  1.939476917652  7.964047418173  1.963826975044  -0.018023736365  0.748324420900  0.299943497478  -0.002995332693  -0.003022600383  -0.001006072018
  3  Al  1.926041812248  1.973420071831  8.047322241916  -0.020474693723  -0.051154370671  0.104711552060  -0.003793159916  -0.002212527071  -0.002637141041
  4  Al  0.046591187561  7.990441937420  4.241688870908  0.119283727864  0.329204905297  -0.803978759512  0.002732239450  -0.003197268860  0.004032540069
  5  Al  0.019674613717  2.014502695339  6.147320892532  -0.030807112422  -0.087746668281  -0.367943685907  0.000674097558  -0.000873328242  0.001394770499
  6  Al  1.976685526249  0.002774839407  6.051730602786  0.203406667758  -0.024664458248  0.234501700846  -0.001624152999  0.001001634176  -0.000025690245
  7  Al  2.008527054376  2.044061441954  4.143804594760  -0.047317799016  -0.148797137932  -0.292967488022  -0.000907829953  -0.000034259378  0.003007398068
  8  Al  8.034670906403  4.169564935767  7.921340913861  0.045906663133  -0.324348036426  0.501589806723  -0.002435316714  0.003043505780  -0.004844924956
  9  Al  0.042948113245  6.054370108458  2.023060874487  -0.204546155629  -0.011434559809  0.008235955195  0.001059990109  -0.000851972875  0.000393392285
  10  Al  2.098454917216  3.933105996639  2.029692191510  -0.368248577237  0.290898768010  0.343333974464  0.001382571682  -0.002038882551  0.001894426033
  11  Al  2.044227031356  6.123776472609  0.177411898418  -0.087331739206  -0.184244569497  -0.492436839433  -0.000024871865  0.001455929840  0.005976190740
  12  Al  8.049836489531  4.099228547102  3.946502489131  0.392251922377  -0.336611393030  0.224729326365  0.000099205618  0.000965015530  -0.002535867712
  13  Al  0.008309781887  6.023386600783  5.956584910605  -0.100905788521  0.021749089103  0.453610357875  -0.000106916782  -0.001823311729  -0.002858620337
  14  Al  1.985265798125  3.973578274096  6.113702569691  0.012580458052  0.142626962542  -0.317342137130  -0.001929780524  -0.003218971361  0.000046163573
  15  Al  2.133329713138  6.081963289615  3.905041667874  -0.471664935444  -0.237346004423  0.634352939052  0.001864508488  -0.000736599007  -0.003885418294
  16  Al  4.220212867558  0.174154031463  0.018792480178  -0.117412959298  -0.507092374072  0.130546721394  0.006126424065  0.005160324076  0.001885814405
  17  Al  3.882881839944  1.881281584593  2.000174713949  0.424055165577  0.300100985357  0.152527726898  -0.004104954095  -0.004235614769  -0.000641161055
  18  Al  6.177720635368  7.952069325106  1.861731752030  -0.232965198688  0.625111343429  0.508664013561  0.002173335354  -0.004066126758  -0.004424742793
  19  Al  6.107610520980  2.163806909965  7.896570563264  -0.095167119046  -0.700846449995  0.951326398434  0.000133400261  0.002408793671  -0.005042554470
  20  Al  4.085833276013  0.158177529980  4.064068369294  -0.232800597846  -0.464099546072  0.115827699357  0.000252974317  0.003723227771  0.000593351996
  21  Al  4.094379644415  1.986205593100  6.131009435582  -0.074892702524  0.250422105608  -0.030225734884  0.001698222306  -0.000364189628  0.002680397120
  22  Al  6.077113347504  0.044330907261  6.108458229245  -0.145160539738  -0.006586982111  0.047694528599  -0.000204955836  0.002671922680  0.001827037441
  23  Al  6.194366343694  2.052358804535  4.030313245582  -0.216989680228  0.000849720226  0.044676743625  0.003252914370  0.001003247882  0.000416080541
  24  Al  4.098664022767  4.021042362051  0.157181590273  -0.007126460248  0.046562527110  -0.759530798797  0.002349274749  -0.001338867345  0.002887129035
  25  Al  4.001089624733  6.236784163288  2.167730242639  0.440682752266  -0.174730312179  -0.526522453871  -0.000364891293  0.005160876702  0.003400217510
  26  Al  5.989769899383  4.182237294313  1.922615731234  0.417225135771  -0.444459897239  0.493872443156  -0.002082150786  0.004010860724  -0.002145618549
  27  Al  6.005276794921  6.136002066276  0.128951935235  -0.033592269761  -0.301060192800  -0.968424881182  -0.002643490143  0.001043836560  0.001752268573
  28  Al  4.081738498181  4.125186092660  4.156183065266  -0.102457952334  -0.035864562622  -0.191583175053  0.000771452566  0.002790880246  0.002652244071
  29  Al  3.937672867314  6.118728611708  6.285929838522  0.397470664787  -0.074611534102  -0.211159906973  -0.001922705741  0.001240321804  0.006671805134
  30  Al  6.113522539473  3.911456110462  6.101579754044  -0.158207341710  0.831362468488  -0.428045732056  0.000963737874  -0.002678088675  -0.000101334296
  31  Al  6.204461237933  6.022029460961  4.015332000159  -0.360633555968  0.239154769656  0.033467489809  0.003428196910  -0.001029230145  -0.001920633666


MDSTEP:  68
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -64.389489858400  0.033401071553  1.723467933696
  0.033401071553  -66.276695459971  -1.530307435464
  1.723467933696  -1.530307435464  -55.911959227697
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.964090150265  8.054037008589  8.004721856006  0.455154133695  0.012546506205  -0.003668352952  -0.003089294899  -0.001558391028  -0.004146994505
  1  Al  8.047615178078  1.929863142055  1.874847758819  0.222461188638  0.281110285176  0.118825443155  -0.000611917054  -0.002348028948  -0.005274623428
  2  Al  1.937978445651  7.962569567814  1.963337346401  -0.019560771196  0.768698243675  0.302961002751  -0.002998692721  -0.002886979649  -0.000952172790
  3  Al  1.924144317078  1.972311521713  8.046008351964  -0.017426974283  -0.050178970214  0.116116982907  -0.003796548298  -0.002221586199  -0.002617399129
  4  Al  0.047962639226  7.988858018331  4.243669203381  0.112651027487  0.338462558020  -0.815138972468  0.002752974251  -0.003137579869  0.003887792109
  5  Al  0.020010285429  2.014062108974  6.148001830831  -0.034964297553  -0.086760656071  -0.374880617242  0.000668217641  -0.000888929071  0.001328362540
  6  Al  1.975882541954  0.003274554002  6.051728239805  0.214824200761  -0.034461101303  0.241252799852  -0.001586763460  0.000996348393  0.000016841865
  7  Al  2.008071024311  2.044037661086  4.145295198252  -0.045179810934  -0.149420820982  -0.301720152813  -0.000916099173  -0.000060919849  0.002954233421
  8  Al  8.033455300058  4.171072190416  7.918940872267  0.049313126226  -0.329051602215  0.509762760095  -0.002426804133  0.002985092323  -0.004754510764
  9  Al  0.043468965160  6.053943610900  2.023257938774  -0.211662966223  -0.011548897207  0.002822422973  0.001022781313  -0.000854027579  0.000394380896
  10  Al  2.099129742478  3.932099558434  2.030654751432  -0.371945215180  0.283451121723  0.341269814487  0.001316398890  -0.001987536084  0.001955629119
  11  Al  2.044210691726  6.124496201863  0.180377982038  -0.082868330863  -0.193110213006  -0.514556741457  -0.000040087629  0.001422194594  0.005886166239
  12  Al  8.049903625860  4.099696008459  3.945244600596  0.391307497014  -0.346439970055  0.225273845006  0.000169255267  0.000903951230  -0.002495637752
  13  Al  0.008251813044  6.022475917095  5.955175876656  -0.102171741394  0.021763551919  0.463715752006  -0.000125071767  -0.001819421730  -0.002776612043
  14  Al  1.984301470205  3.971975163789  6.113711466399  0.018275979749  0.153385153138  -0.318187078106  -0.001927021980  -0.003192508091  -0.000010652281
  15  Al  2.134240884129  6.081584380831  3.903127314075  -0.475629569687  -0.241013727312  0.653564304209  0.001779821041  -0.000779364023  -0.003770279420
  16  Al  4.223270831274  0.176711526655  0.019741222772  -0.122999758851  -0.521180463497  0.123649543863  0.006104931341  0.005068397225  0.001908539368
  17  Al  3.880848318010  1.879177191614  1.999860951355  0.426094399815  0.306753259522  0.157114728279  -0.004028951336  -0.004181362437  -0.000613479243
  18  Al  6.178796889584  7.950064203980  1.859542117732  -0.228506655886  0.645707939650  0.520820034305  0.002132080102  -0.003952516429  -0.004332707660
  19  Al  6.107672967175  2.164979979216  7.894091809977  -0.089370140743  -0.710479134214  0.976783140489  0.000116902763  0.002282622179  -0.004870182865
  20  Al  4.085949357068  0.160018398783  4.064370222748  -0.232463112200  -0.466206358695  0.123481833858  0.000211380077  0.003640059093  0.000614746096
  21  Al  4.095225407891  1.986034692064  6.132348283063  -0.080017473392  0.253305425450  -0.037188916344  0.001684373448  -0.000319156749  0.002674370299
  22  Al  6.077004380963  0.045666574165  6.109373879894  -0.151394572371  -0.015459517127  0.042585574482  -0.000231467649  0.002669951739  0.001835108418
  23  Al  6.195983101518  2.052860466458  4.030523282886  -0.217330669066  0.001001738017  0.037687737489  0.003214086444  0.001003413401  0.000423443866
  24  Al  4.099838341592  4.020375009707  0.158591204037  -0.015386814114  0.050340722186  -0.771341498386  0.002347262079  -0.001330204264  0.002750270153
  25  Al  4.000926877447  6.239356791257  2.169406816029  0.450887764500  -0.174606440481  -0.537204243094  -0.000285185530  0.005129646247  0.003305121109
  26  Al  5.988747473803  4.184222857477  1.921564997880  0.428347971701  -0.459235965623  0.504330669677  -0.002006557158  0.003930070964  -0.002056379909
  27  Al  6.003953548287  6.136510527274  0.129784781278  -0.035888429897  -0.306177455098  -0.991600879058  -0.002649701668  0.000989549951  0.001577043680
  28  Al  4.082119644630  4.126579929650  4.157500623603  -0.102589387095  -0.038874486668  -0.188330477179  0.000753121482  0.002784198629  0.002618280064
  29  Al  3.936729281239  6.119345437502  6.289256302318  0.396278048258  -0.074633902614  -0.209176284676  -0.001851745177  0.001226979370  0.006634227381
  30  Al  6.113997336599  3.910154227727  6.101509953406  -0.162076855017  0.849691784675  -0.440597156705  0.000935104698  -0.002527803635  -0.000178990345
  31  Al  6.206159216198  6.021525536020  4.014373179311  -0.366161791899  0.242621393024  0.041572980598  0.003363221929  -0.000986159703  -0.001913925102


MDSTEP:  69
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -63.875030731673  0.052390170847  1.819546823355
  0.052390170847  -65.752110284880  -1.469726094258
  1.819546823355  -1.469726094258  -55.313670946595
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.962565848041  8.053258373899  8.002648194779  0.464081447891  0.010145304902  0.004821729214  -0.003007115899  -0.001556362396  -0.004146891394
  1  Al  8.047319163486  1.928701693109  1.872215758559  0.222112426752  0.284633431878  0.125277390431  -0.000572172492  -0.002297451867  -0.005252800810
  2  Al  1.936478224931  7.961160438524  1.962874802254  -0.024217191102  0.786753017160  0.309127227016  -0.003002606440  -0.002747923426  -0.000897452543
  3  Al  1.922245263950  1.971198485632  8.044704842787  -0.017574139799  -0.050140568623  0.130175311154  -0.003799677373  -0.002230554694  -0.002595380775
  4  Al  0.049344161812  7.987304357551  4.245576663017  0.107229658113  0.345878017450  -0.829151527443  0.002772631426  -0.003076400314  0.003740793722
  5  Al  0.020342831358  2.013613766268  6.148649255073  -0.037243770693  -0.086727905823  -0.384999833782  0.000661762292  -0.000904438824  0.001260429775
  6  Al  1.975098762788  0.003771187800  6.051747444651  0.222817065519  -0.045958794471  0.244619824687  -0.001547638646  0.000989158912  0.000060278528
  7  Al  2.007610955203  2.044000522105  4.146758828181  -0.046557951798  -0.150723487437  -0.313353884542  -0.000924300462  -0.000087752534  0.002899246245
  8  Al  8.032244102270  4.172550028089  7.916586403097  0.055510399269  -0.331725984893  0.520102560312  -0.002417432985  0.002926019282  -0.004662441546
  9  Al  0.043970894558  6.053516080879  2.023455255383  -0.216623347985  -0.010541770985  0.000612419198  0.000984492825  -0.000856002469  0.000394687969
  10  Al  2.099771316106  3.931118460555  2.031647820629  -0.378764533711  0.277942913302  0.342016286492  0.001249285978  -0.001937347861  0.002016714404
  11  Al  2.044186943727  6.125198667203  0.183298064656  -0.081854165826  -0.201151227875  -0.532768790147  -0.000054813702  0.001386947905  0.005792536090
  12  Al  8.050005744797  4.100132498332  3.944006851379  0.392678119121  -0.354430587844  0.223183417418  0.000239343017  0.000841293907  -0.002455545995
  13  Al  0.008184710120  6.021567179053  5.953808298561  -0.101303541786  0.023228538035  0.469925588709  -0.000143262311  -0.001815399470  -0.002693145179
  14  Al  1.983338776144  3.970385766005  6.113691917410  0.020376906174  0.165639874166  -0.322177371248  -0.001923566440  -0.003163987483  -0.000067900402
  15  Al  2.135109534178  6.081183925592  3.901271388455  -0.482509179188  -0.243697929988  0.669609763424  0.001694164126  -0.000822696896  -0.003651988610
  16  Al  4.226317798899  0.179222428688  0.020701019546  -0.130477060704  -0.537082383626  0.119611602420  0.006082270695  0.004973789288  0.001930286740
  17  Al  3.878852888609  1.877100222156  1.999561234706  0.425277869309  0.312198304878  0.164946326674  -0.003952839267  -0.004126028612  -0.000584687216
  18  Al  6.179852715470  7.948116808678  1.857399044370  -0.220431776350  0.663961741657  0.536811591440  0.002091945329  -0.003835432902  -0.004238156154
  19  Al  6.107727423743  2.166089532144  7.891700380399  -0.080134764150  -0.720519926795  1.003360658819  0.000101749146  0.002154691893  -0.004693159434
  20  Al  4.086044656089  0.161817589073  4.064683115390  -0.233758684894  -0.470490955920  0.128117233770  0.000169700183  0.003556319027  0.000637238872
  21  Al  4.096064017862  1.985886436351  6.133683805881  -0.087117472405  0.254828750688  -0.047288523108  0.001669431704  -0.000273729920  0.002666818077
  22  Al  6.076881879855  0.047000859000  6.110293337662  -0.154036666136  -0.026116016943  0.033691101479  -0.000258772982  0.002666234916  0.001841927498
  23  Al  6.197580430137  2.053362217935  4.030736689448  -0.213824706540  -0.000286267281  0.028158092077  0.003175541463  0.001003477363  0.000429330436
  24  Al  4.101011284846  4.019712157787  0.159931860426  -0.026021941339  0.056000814873  -0.779253391475  0.002343560166  -0.001320697407  0.002611648086
  25  Al  4.000804439203  6.241913809536  2.171035363747  0.458323821832  -0.173569636243  -0.544516045830  -0.000203902669  0.005098519557  0.003208416093
  26  Al  5.987763342224  4.186167365277  1.920559351325  0.442136203837  -0.471306152575  0.517979064262  -0.001928736500  0.003846881168  -0.001964986155
  27  Al  6.002627093253  6.136991616227  0.130528978915  -0.035004795802  -0.310043879825  -1.010651215834  -0.002656039471  0.000934460207  0.001398043784
  28  Al  4.082491619663  4.127970291289  4.158801345330  -0.105071389294  -0.039710830245  -0.188349858131  0.000734556758  0.002777173158  0.002584605113
  29  Al  3.935821122137  6.119955591078  6.292564065904  0.392447388856  -0.073407836070  -0.210291283894  -0.001781233691  0.001213744545  0.006596727283
  30  Al  6.114457644171  3.908928306827  6.101400763700  -0.162373786519  0.868550915186  -0.455991923683  0.000906099044  -0.002374193974  -0.000259144763
  31  Al  6.207824459862  6.021043301258  4.013418075058  -0.368090440652  0.247870519289  0.046646460117  0.003297580308  -0.000942310079  -0.001906038347


MDSTEP:  70
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -63.366646065700  0.073297369464  1.919880471871
  0.073297369464  -65.229498986721  -1.403692823042
  1.919880471871  -1.403692823042  -54.729752586949
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.961083034365  8.052480646192  8.000574964612  0.470769964593  0.009341562650  0.011076647973  -0.003399408975  -0.001807667622  -0.004820233042
  1  Al  8.047043005585  1.927565690188  1.869594958009  0.219237160585  0.289198017781  0.127937943573  -0.000619426981  -0.002611760461  -0.006081483298
  2  Al  1.934975839211  7.959821644388  1.962439893858  -0.025492204839  0.805408050688  0.312059078615  -0.003496511492  -0.003029699510  -0.000978959051
  3  Al  1.920344639706  1.970080967020  8.043412971189  -0.014015513109  -0.049250480922  0.141112035545  -0.004421439017  -0.002603956445  -0.002989633335
  4  Al  0.050735270652  7.985781618017  4.247409997103  0.100345862285  0.354379576260  -0.839572821865  0.003245513506  -0.003504357134  0.004176221628
  5  Al  0.020672047721  2.013157670150  6.149262260606  -0.041521399380  -0.085944088842  -0.391749322340  0.000761290393  -0.001069604785  0.001384847607
  6  Al  1.974334903308  0.004263712914  6.051788518333  0.233906549648  -0.055428711313  0.251108565316  -0.001752072742  0.001139626127  0.000121621548
  7  Al  2.007146723848  2.043949908552  4.148194444497  -0.044276395608  -0.151658491659  -0.321424859747  -0.001084192228  -0.000133468995  0.003305174078
  8  Al  8.031037867072  4.173998209698  7.914278430721  0.059380686573  -0.336133963211  0.527838866548  -0.002798978310  0.003332866172  -0.005312418078
  9  Al  0.044453457985  6.053087608431  2.023652626743  -0.223325334908  -0.010185225909  -0.004539315339  0.001099006795  -0.000997489569  0.000458523581
  10  Al  2.100379028456  3.930162210573  2.032671465836  -0.381724210797  0.270995691264  0.339217654265  0.001373580206  -0.002195629544  0.002415792220
  11  Al  2.044155878024  6.125883149768  0.186170518128  -0.077472948675  -0.209709367727  -0.553775843992  -0.000080297989  0.001569993685  0.006622446578
  12  Al  8.050142968876  4.100537302366  3.942789054600  0.390993327262  -0.363476782939  0.223615766774  0.000359764511  0.000903605166  -0.002808792872
  13  Al  0.008108550733  6.020660517625  5.952482731477  -0.102261761366  0.023639610468  0.479274361338  -0.000187742080  -0.002106022150  -0.003032841335
  14  Al  1.982377903764  3.968811176306  6.113643565997  0.025878477919  0.176026340616  -0.322348915037  -0.002231859281  -0.003643476866  -0.000145951719
  15  Al  2.135935048255  6.080761683935  3.899475325465  -0.486065993398  -0.246587131410  0.687217889704  0.001869240911  -0.001007573795  -0.004105383550
  16  Al  4.229353101969  0.181685315942  0.021671509511  -0.136838697841  -0.550731684356  0.112769190761  0.007044501202  0.005670299454  0.002268637934
  17  Al  3.876895478743  1.875051163002  1.999276264139  0.426876583635  0.318551247233  0.169374451182  -0.004507665251  -0.004732060065  -0.000645104482
  18  Al  6.180888834913  7.946228771078  1.855303961578  -0.215601072891  0.683171604779  0.548862379693  0.002387127676  -0.004319695012  -0.004815148932
  19  Al  6.107774716321  2.167134671109  7.889398650543  -0.074118396040  -0.729217137866  1.027164785813  0.000102276217  0.002354712101  -0.005245995456
  20  Al  4.086119057252  0.163574717810  4.065007461620  -0.233168547497  -0.472516711356  0.135454039912  0.000148784970  0.004037158680  0.000768361450
  21  Al  4.096894839595  1.985760962144  6.135015101139  -0.092567383311  0.257198904020  -0.054295076141  0.001922488626  -0.000265059517  0.003090339426
  22  Al  6.076745607981  0.048332809081  6.111215807391  -0.159896078792  -0.034635118350  0.027716569282  -0.000333527352  0.003093905915  0.002148123545
  23  Al  6.199158642982  2.053863943821  4.030952613322  -0.214116570923  -0.000415577187  0.021569108233  0.003647943130  0.001166741574  0.000504382234
  24  Al  4.102181901757  4.019054312300  0.161202852123  -0.034992897917  0.059547295054  -0.789935748928  0.002718681611  -0.001523657518  0.002873630429
  25  Al  4.000722974779  6.244455310814  2.172615232123  0.467436205412  -0.172979626773  -0.554270238454  -0.000140858549  0.005892387360  0.003616433856
  26  Al  5.986818737304  4.188069738645  1.919600011725  0.452739870899  -0.484884129045  0.528351266917  -0.002149655988  0.004373645611  -0.002176062235
  27  Al  6.001297508816  6.137444987481  0.131182825062  -0.036885438097  -0.314612678704  -1.031841145891  -0.003095839136  0.001021629759  0.001413286056
  28  Al  4.082854201388  4.129357102809  4.160085228716  -0.104926023098  -0.042464802388  -0.185364949395  0.000832291988  0.003220674607  0.002966456278
  29  Al  3.934948047548  6.120559182046  6.295853029600  0.390591395102  -0.073158102768  -0.208598621756  -0.001989769565  0.001396071483  0.007626940212
  30  Al  6.114903435643  3.907780033753  6.101250808643  -0.165786880350  0.885261760751  -0.468074226344  0.001019473233  -0.002578333854  -0.000397383567
  31  Al  6.209456796506  6.020583225941  4.012467140964  -0.373102335075  0.251270151160  0.054070483785  0.003757283601  -0.001043804854  -0.002205816791


MDSTEP:  71
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -62.783664351607  0.098693350573  2.036563091093
  0.098693350573  -64.623340339098  -1.321002364390
  2.036563091093  -1.321002364390  -54.058045850402
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.959404373126  8.051577229945  7.998165343213  0.479302829419  0.007211778341  0.020101326222  -0.003314473151  -0.001806187766  -0.004817445753
  1  Al  8.046743091917  1.926272737005  1.866559935140  0.216987699247  0.294033976383  0.134113977133  -0.000580428792  -0.002559619940  -0.006058056045
  2  Al  1.933226443973  7.958342796083  1.961964363261  -0.029209415046  0.825432932012  0.317964165733  -0.003501401778  -0.002883903500  -0.000922635426
  3  Al  1.918133293709  1.968776787318  8.041924462179  -0.012213401303  -0.047796815232  0.155863865118  -0.004423783863  -0.002612632404  -0.002963083903
  4  Al  0.052362512829  7.984045280089  4.249460579314  0.092148997188  0.363088485869  -0.853639909607  0.003262722408  -0.003440216006  0.004024849628
  5  Al  0.021050836926  2.012619026087  6.149937173356  -0.045861582293  -0.084966503336  -0.402139090189  0.000753478417  -0.001084884069  0.001313874554
  6  Al  1.973469322476  0.004831048335  6.051860553570  0.244306559085  -0.067658111990  0.255835587159  -0.001709320834  0.001128622254  0.000166941990
  7  Al  2.006602648595  2.043876394974  4.149832663960  -0.044432377752  -0.152491678579  -0.332831892986  -0.001092122729  -0.000160659802  0.003246683995
  8  Al  8.029641032213  4.175649617717  7.911645815890  0.065615433219  -0.339959982593  0.538421367423  -0.002787803747  0.003272423860  -0.005217095181
  9  Al  0.044992978820  6.052588408370  2.023881685627  -0.230137360948  -0.009749333528  -0.008054222737  0.001058467556  -0.000999271704  0.000457397727
  10  Al  2.101048755625  3.929076509211  2.033894524853  -0.387428494543  0.264224020085  0.337768769133  0.001304818508  -0.002147781287  0.002476314319
  11  Al  2.044112266017  6.126658772677  0.189456987836  -0.074672972097  -0.219976701207  -0.575213327227  -0.000093899725  0.001531580060  0.006521515758
  12  Al  8.050340328393  4.100972857668  3.941394653709  0.390421292026  -0.372738254271  0.222384706509  0.000429622416  0.000837788072  -0.002768920751
  13  Al  0.008010108629  6.019608563232  5.950987734200  -0.102407148693  0.024730349907  0.486925965022  -0.000206039333  -0.002101697911  -0.002946463721
  14  Al  1.981263130883  3.966997306187  6.113556181257  0.029482986273  0.189075149982  -0.324897264662  -0.002226910006  -0.003610837055  -0.000203815062
  15  Al  2.136847941735  6.080246874681  3.897453352083  -0.492292877295  -0.249970380273  0.705391066753  0.001781776332  -0.001051965679  -0.003980885311
  16  Al  4.232869235929  0.184495848161  0.022810869221  -0.144737371261  -0.567812198875  0.106587022431  0.007019328504  0.005570302436  0.002288248221
  17  Al  3.874660727347  1.872699372096  1.998961282875  0.427168340207  0.325786534689  0.176968240347  -0.004431314250  -0.004674456731  -0.000614141694
  18  Al  6.182072761461  7.944099461097  1.852920921063  -0.207328298106  0.703810528396  0.565880120724  0.002349318095  -0.004195699808  -0.004715491754
  19  Al  6.107822541364  2.168279431416  7.886821566711  -0.064607563034  -0.738855005310  1.055273676788  0.000089874216  0.002223467508  -0.005059826956
  20  Al  4.086183027187  0.165572175823  4.065397697092  -0.232774212983  -0.476316229983  0.141931311432  0.000107130023  0.003952333698  0.000793159501
  21  Al  4.097851946179  1.985639929084  6.136557843882  -0.099667132791  0.259394743539  -0.064687264459  0.001905302999  -0.000218876417  0.003079702490
  22  Al  6.076571697007  0.049878213862  6.112291108085  -0.164030045874  -0.045884211853  0.017727458392  -0.000362486114  0.003086707545  0.002152186209
  23  Al  6.200973043613  2.054447296032  4.031205768571  -0.211384669084  -0.001611635463  0.012017590043  0.003609903625  0.001166560343  0.000507384861
  24  Al  4.103539678393  4.018295145283  0.162604357494  -0.046631236029  0.064983212043  -0.799234418331  0.002711384472  -0.001512524580  0.002731559760
  25  Al  4.000673439734  6.247393772367  2.174398673370  0.476490122067  -0.172338076664  -0.563185606645  -0.000056472215  0.005861516206  0.003516534108
  26  Al  5.985764146619  4.190234887305  1.918535597719  0.466842498019  -0.498793040641  0.542405419522  -0.002067445986  0.004285705580  -0.002080337358
  27  Al  5.999747940482  6.137941739287  0.131843345162  -0.036868685412  -0.319413517923  -1.053339761270  -0.003102432702  0.000964948274  0.001226872383
  28  Al  4.083265657227  4.130965541951  4.161560171108  -0.106243868444  -0.044289290831  -0.184358620757  0.000813413552  0.003212918854  0.002933403257
  29  Al  3.933970622061  6.121253947647  6.299657175423  0.387230975047  -0.072233951193  -0.208883250733  -0.001920232804  0.001383073538  0.007589617633
  30  Al  6.115405761645  3.906530437708  6.101031194110  -0.167035349579  0.904691792457  -0.483803305960  0.000989719165  -0.002418313294  -0.000482480734
  31  Al  6.211318760766  6.020072555200  4.011366649500  -0.376033669230  0.256391416043  0.060706299679  0.003690311381  -0.000998420275  -0.002195555830


MDSTEP:  72
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -62.206272030433  0.125426507953  2.157382634285
  0.125426507953  -64.017141828300  -1.232091501264
  2.157382634285  -1.232091501264  -53.399979448193
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.957768561214  8.050674458427  7.995757518858  0.486684567172  0.006721612581  0.026940734767  -0.003228114573  -0.001804942131  -0.004813240227
  1  Al  8.046462576793  1.925006070247  1.863536901964  0.212732153301  0.299602322993  0.135817728259  -0.000542012146  -0.002506549282  -0.006033924344
  2  Al  1.931474437433  7.956937740888  1.961517258432  -0.029913793006  0.846169091974  0.319827784453  -0.003506687350  -0.002734463482  -0.000865617285
  3  Al  1.915920855842  1.967468334616  8.040449887286  -0.007167375574  -0.046202291914  0.167610943821  -0.004425516491  -0.002621035856  -0.002934165488
  4  Al  0.053997993060  7.982341402011  4.251434846731  0.082927347617  0.372747387098  -0.863932502331  0.003278374107  -0.003374432808  0.003871299891
  5  Al  0.021425526138  2.012072786081  6.150576135160  -0.051876825811  -0.083592599080  -0.408575352052  0.000744740674  -0.001099953131  0.001241397266
  6  Al  1.972625582474  0.005392335168  6.051955460324  0.257331894567  -0.077966232362  0.264668974459  -0.001664474717  0.001115603542  0.000213474724
  7  Al  2.006054601120  2.043789248750  4.151441128492  -0.041179887568  -0.153102127368  -0.340831317326  -0.001099776404  -0.000187979668  0.003186458989
  8  Al  8.028250063325  4.177270633558  7.909061335541  0.070020163381  -0.345488146732  0.546449822218  -0.002775678022  0.003211145291  -0.005120108477
  9  Al  0.045511925541  6.052088336726  2.024110024470  -0.238336835091  -0.009572210974  -0.014956170338  0.001016586300  -0.001000999036  0.000455340615
  10  Al  2.101683846964  3.928014429286  2.035147780155  -0.389530387437  0.255915724281  0.332492520457  0.001235358943  -0.002101281168  0.002536235196
  11  Al  2.044061978299  6.127414729828  0.192692033886  -0.068986161687  -0.230206833844  -0.599768113305  -0.000106742748  0.001491333976  0.006416473263
  12  Al  8.050572591292  4.101375090438  3.940020133850  0.387216365578  -0.382989449678  0.223605603083  0.000499142663  0.000770226559  -0.002729049538
  13  Al  0.007902511400  6.018558819714  5.949536267755  -0.103719356995  0.025015466322  0.498170352050  -0.000224466894  -0.002097250670  -0.002858396820
  14  Al  1.980150993759  3.965200339251  6.113439750935  0.036213684987  0.200591150694  -0.323162359029  -0.002221036771  -0.003576001168  -0.000261751126
  15  Al  2.137716824587  6.079709718255  3.895494440154  -0.495549418453  -0.253414477516  0.725061561941  0.001693463942  -0.001096967923  -0.003853003876
  16  Al  4.236372430473  0.187255618379  0.023959757733  -0.152465143102  -0.582706435979  0.097659498269  0.006992758813  0.005467446898  0.002306507713
  17  Al  3.872464164493  1.870376706271  1.998662122445  0.429365905796  0.333556993640  0.180992777480  -0.004354740704  -0.004615511894  -0.000582140237
  18  Al  6.183238153008  7.942033071270  1.850588469824  -0.201988755757  0.725142650205  0.578689056494  0.002312725445  -0.004067952422  -0.004613168094
  19  Al  6.107864590537  2.169358138617  7.884338823587  -0.057713138867  -0.747304760156  1.080632649288  0.000078938833  0.002090605894  -0.004868878468
  20  Al  4.086226187274  0.167527051508  4.065800621121  -0.230741306909  -0.477850946222  0.150860729967  0.000065692069  0.003867031839  0.000819334899
  21  Al  4.098800142594  1.985542085728  6.138094803630  -0.105555084943  0.262179169326  -0.071739381262  0.001886956280  -0.000172248084  0.003067506046
  22  Al  6.076383121866  0.051419516626  6.113367993600  -0.170961078472  -0.054852885276  0.010844453431  -0.000392434080  0.003077701721  0.002154740517
  23  Al  6.202768546607  2.055030504164  4.031459998183  -0.212301520688  -0.001759843244  0.005425175322  0.003572026385  0.001166258935  0.000508944231
  24  Al  4.104893286229  4.017541787719  0.163934411882  -0.057158668465  0.068479381182  -0.811410668844  0.002702105729  -0.001500593121  0.002587569248
  25  Al  4.000666502563  6.250316827020  2.176131766230  0.486854266171  -0.171696515602  -0.574756628006  0.000029650080  0.005830759761  0.003414802891
  26  Al  5.984751291317  4.192355444225  1.917519674367  0.478101074153  -0.514072546082  0.552826523281  -0.001982968711  0.004195156126  -0.001982424410
  27  Al  5.998195076114  6.138409935754  0.132409697445  -0.039244020221  -0.324829121816  -1.076694046522  -0.003109237123  0.000907353445  0.001036448894
  28  Al  4.083667614940  4.132570021663  4.163018631973  -0.105281588175  -0.047969638332  -0.180229159203  0.000794503328  0.003204670972  0.002900809372
  29  Al  3.933027814744  6.121942255584  6.303442647233  0.385177803151  -0.072302811377  -0.206006017608  -0.001851180016  0.001370152056  0.007552526831
  30  Al  6.115893154808  3.905361720459  6.100768327909  -0.171081123176  0.921859763531  -0.496027336652  0.000959491796  -0.002255020900  -0.000570076888
  31  Al  6.213147107887  6.019584805666  4.010271585135  -0.381873755480  0.259899159727  0.069512163440  0.003622555003  -0.000952264269  -0.002183914393


MDSTEP:  73
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -61.638489081330  0.153810070057  2.276614380023
  0.153810070057  -63.414153303893  -1.136698872184
  2.276614380023  -1.136698872184  -52.746546701345
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.956176258553  8.049772287815  7.993352102986  0.496313771296  0.003772274950  0.036454138419  -0.003140235229  -0.001804003985  -0.004807572771
  1  Al  8.046201079771  1.923766187722  1.860526010795  0.211270980012  0.303861204264  0.143560536481  -0.000504106572  -0.002452600077  -0.006008948129
  2  Al  1.929719756623  7.955608332601  1.961098745977  -0.033100681924  0.863853408570  0.326976400023  -0.003512320799  -0.002581588701  -0.000807793456
  3  Al  1.913707777218  1.966155751462  8.038990296691  -0.004712570002  -0.044741669921  0.182355356441  -0.004426578549  -0.002629166181  -0.002902878752
  4  Al  0.055640886936  7.980670847281  4.253331879204  0.075081939734  0.380176354652  -0.877771707109  0.003292500024  -0.003307121967  0.003715592788
  5  Al  0.021795577600  2.011519072956  6.151178570622  -0.055426786695  -0.083054518795  -0.420193886533  0.000735147808  -0.001114851264  0.001167305893
  6  Al  1.971804847758  0.005946651877  6.052074028294  0.267421108848  -0.090562072344  0.267652460060  -0.001617562177  0.001100537233  0.000261063877
  7  Al  2.005502872192  2.043688415306  4.153019122949  -0.041197949711  -0.154325101981  -0.352129389785  -0.001107140923  -0.000215463441  0.003124508800
  8  Al  8.026865354190  4.178860763008  7.906525707412  0.077882654760  -0.348395700636  0.557035158187  -0.002762455617  0.003149112574  -0.005021457714
  9  Al  0.046009565120  6.051587409334  2.024337026242  -0.243779973835  -0.008649089201  -0.016928309019  0.000973485404  -0.001002628007  0.000452490165
  10  Al  2.102284114568  3.926975228043  2.036430760049  -0.394496021247  0.250253184140  0.331399350494  0.001165267546  -0.002056030032  0.002595586651
  11  Al  2.044005523269  6.128150106653  0.195873461099  -0.066114434705  -0.240257963768  -0.619296099964  -0.000118820644  0.001449274762  0.006307489800
  12  Al  8.050839471056  4.101743084226  3.938665604171  0.386949102204  -0.390936200700  0.221854819006  0.000568352498  0.000701038163  -0.002689225697
  13  Al  0.007785641734  6.017511312562  5.948129337381  -0.102450712576  0.026966400350  0.503602625314  -0.000242898350  -0.002092603529  -0.002768839036
  14  Al  1.979042094112  3.963421305019  6.113294430131  0.039761456291  0.213854407320  -0.326186721273  -0.002214244648  -0.003538950034  -0.000319802466
  15  Al  2.138541405677  6.079149906758  3.893600348207  -0.501357472993  -0.255832160657  0.741305080402  0.001604341183  -0.001142494206  -0.003721911753
  16  Al  4.239861994742  0.189963295060  0.025117376934  -0.161995707121  -0.600006914721  0.092010219423  0.006964646239  0.005361713176  0.002323464050
  17  Al  3.870305986642  1.868083860202  1.998379142638  0.428256249995  0.340243432834  0.189822702650  -0.004278069901  -0.004555274621  -0.000548989600
  18  Al  6.184385486906  7.940031508675  1.848307752970  -0.193453513178  0.743756541588  0.597137571434  0.002277373190  -0.003936633891  -0.004508050039
  19  Al  6.107901480197  2.170370037310  7.881952688243  -0.048162704307  -0.755985900799  1.107159163770  0.000069473609  0.001956212791  -0.004673291454
  20  Al  4.086248719255  0.169439207662  4.066217031991  -0.230880448185  -0.482133064118  0.156555530029  0.000024423416  0.003781209959  0.000846817691
  21  Al  4.099738902459  1.985467681000  6.139625349928  -0.113902110339  0.263635067406  -0.083454887102  0.001867336965  -0.000125240670  0.003053631790
  22  Al  6.076179262928  0.052955915583  6.114445848602  -0.174720290029  -0.066312738023  -0.001564622010  -0.000423337745  0.003066869601  0.002155570127
  23  Al  6.204545069997  2.055613554967  4.031714712802  -0.209368938257  -0.003792232429  -0.004276705677  0.003534329349  0.001165762584  0.000509046904
  24  Al  4.106241784122  4.016794552162  0.165191926741  -0.070566636848  0.074414365391  -0.818801381821  0.002690687179  -0.001487818523  0.002441829464
  25  Al  4.000703089814  6.253224532128  2.177813476261  0.493789173087  -0.170606545108  -0.581568991545  0.000117318898  0.005800158114  0.003311428213
  26  Al  5.983781177908  4.194430043430  1.916553173309  0.491406762243  -0.525952402858  0.567928705737  -0.001896295408  0.004102178644  -0.001882229700
  27  Al  5.996638703359  6.138849092732  0.132879794055  -0.039086979561  -0.328908574969  -1.095297126702  -0.003116239858  0.000848909766  0.000842274446
  28  Al  4.084060160555  4.134170212923  4.164460980480  -0.107489182460  -0.048928072093  -0.180158645960  0.000775481775  0.003196008386  0.002868590961
  29  Al  3.932119442045  6.122624099702  6.307209702254  0.380162245600  -0.070838549463  -0.207758704729  -0.001782759166  0.001357355321  0.007515536562
  30  Al  6.116365253441  3.904275416809  6.100461117222  -0.171906723655  0.939999940094  -0.512346314705  0.000928828929  -0.002088571982  -0.000660224767
  31  Al  6.214941315769  6.019120290930  4.009182735107  -0.384125606442  0.265432891025  0.074923676064  0.003554075211  -0.000905299962  -0.002171001933


MDSTEP:  74
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -61.077471868725  0.184014362087  2.399856401813
  0.184014362087  -62.812613479427  -1.035344755516
  2.399856401813  -1.035344755516  -52.109284198588
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.954628325985  8.048870454442  7.990949946087  0.504066339187  0.003040415860  0.044569336365  -0.003050801967  -0.001803394935  -0.004800329331
  1  Al  8.045958470222  1.922553470170  1.857527953836  0.207158232092  0.308997808031  0.146428581300  -0.000466699301  -0.002397810923  -0.005983023310
  2  Al  1.927962116635  7.954356152187  1.960709464976  -0.035529475057  0.882936349910  0.329585216205  -0.003518456285  -0.002425426954  -0.000749097320
  3  Al  1.911494277293  1.964839168435  8.037547008533  -0.001240686822  -0.042784399685  0.194927763998  -0.004427110766  -0.002636990948  -0.002869149913
  4  Al  0.057290493084  7.979034280044  4.255150439519  0.065163669055  0.389138559126  -0.888592384878  0.003305037880  -0.003238345768  0.003557681109
  5  Al  0.022160673946  2.010957934817  6.151743441053  -0.061519725572  -0.081778364326  -0.427227697564  0.000724692874  -0.001129587205  0.001091547013
  6  Al  1.971008020297  0.006492872401  6.052216524201  0.278112350817  -0.100754406147  0.275186814007  -0.001568791878  0.001083433678  0.000309593317
  7  Al  2.004947460197  2.043573785309  4.154565637292  -0.040009523539  -0.155158448376  -0.360714677055  -0.001114400813  -0.000243131048  0.003060781053
  8  Al  8.025487607709  4.180419746132  7.904039877826  0.083375706567  -0.353607596891  0.565812919975  -0.002748039235  0.003086353984  -0.004921075904
  9  Al  0.046485410945  6.051085708719  2.024562514635  -0.251408979184  -0.008179234852  -0.022884848496  0.000929215868  -0.001004132448  0.000448930898
  10  Al  2.102849114510  3.925958399254  2.037743366806  -0.398009185710  0.242416402604  0.325732608782  0.001094418151  -0.002011985726  0.002654333776
  11  Al  2.043943157655  6.128864004589  0.198999523686  -0.062469010487  -0.250506619610  -0.641287967279  -0.000130315911  0.001405400761  0.006194794491
  12  Al  8.051140943791  4.102076128600  3.937330908153  0.383512342824  -0.400500087846  0.221894716658  0.000637231197  0.000630284328  -0.002649554808
  13  Al  0.007659613049  6.016466216185  5.946767428719  -0.103269254305  0.027860541938  0.513027473488  -0.000261289567  -0.002087702040  -0.002677953037
  14  Al  1.977936749111  3.961661389218  6.113119948469  0.044142497033  0.224920974589  -0.324380519208  -0.002206743695  -0.003499723830  -0.000377962709
  15  Al  2.139321165770  6.078567224049  3.891772528401  -0.506117909770  -0.258529787198  0.758372679149  0.001514273609  -0.001188477794  -0.003587841641
  16  Al  4.243337076712  0.192617331554  0.026283221782  -0.170275729181  -0.614477602525  0.084131224853  0.006934941412  0.005253139134  0.002339210968
  17  Al  3.868186094592  1.865821431650  1.998113132845  0.429494201878  0.347744803371  0.194512779110  -0.004201387628  -0.004493768968  -0.000514630285
  18  Al  6.185515526198  7.938096437379  1.846080419785  -0.185712945975  0.763640878545  0.611069527447  0.002243475982  -0.003801873647  -0.004400037194
  19  Al  6.107934064146  2.171314351408  7.879665532132  -0.039044592260  -0.763266164227  1.131477347760  0.000061677339  0.001820392749  -0.004473158961
  20  Al  4.086250610691  0.171308261467  4.066647438812  -0.228447030694  -0.483668055365  0.164095188129  -0.000016640130  0.003694868034  0.000875483635
  21  Al  4.100667479558  1.985416845058  6.141148435420  -0.120145804142  0.265779083163  -0.091172691282  0.001846413250  -0.000077911426  0.003038020211
  22  Al  6.075959784121  0.054486386228  6.115523563727  -0.179240254383  -0.075081216354  -0.010372166824  -0.000454981563  0.003054229084  0.002154502987
  23  Al  6.206302875956  2.056196266748  4.031969045087  -0.207969238559  -0.004856168706  -0.011716285636  0.003497019616  0.001164989423  0.000507617142
  24  Al  4.107583973409  4.016053969197  0.166376241346  -0.082068667283  0.077782450585  -0.828367681621  0.002677041693  -0.001474212237  0.002294573735
  25  Al  4.000783821461  6.256116985134  2.179443194443  0.502750529941  -0.169648800324  -0.591693218901  0.000206408830  0.005769739531  0.003206539415
  26  Al  5.982854995909  4.196457622869  1.915637444668  0.503971786701  -0.539852686408  0.578760581956  -0.001807309282  0.004006896436  -0.001779716502
  27  Al  5.995078836256  6.139258845520  0.133251971891  -0.039075198711  -0.333614619094  -1.115220677938  -0.003123227501  0.000789680669  0.000644655745
  28  Al  4.084443096715  4.135766030049  4.165887222934  -0.106717976169  -0.052317685634  -0.177605680371  0.000756331809  0.003186957089  0.002836607088
  29  Al  3.931245055578  6.123299610905  6.310958183796  0.377144064539  -0.070284872203  -0.205867449034  -0.001715056527  0.001344738989  0.007478558682
  30  Al  6.116821983737  3.903273148477  6.100108103142  -0.173404985021  0.955146747881  -0.524452014389  0.000897958311  -0.001919147232  -0.000752913791
  31  Al  6.216701183098  6.018679505704  4.008100583202  -0.387215547813  0.269461800166  0.081971201292  0.003485117867  -0.000857480762  -0.002156975644


MDSTEP:  75
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -60.524851026599  0.215480975153  2.522628285823
  0.215480975153  -62.216413660780  -0.927989376230
  2.522628285823  -0.927989376230  -51.480993239288
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.953125456586  8.047968892880  7.988551773655  0.512414384930  0.000807661380  0.053143491697  -0.002959929322  -0.001803050920  -0.004791593874
  1  Al  8.045734380470  1.921368376799  1.854542987485  0.204292749398  0.313530460913  0.152526438622  -0.000429915879  -0.002342157343  -0.005956296946
  2  Al  1.926201300338  7.953182905647  1.960349648657  -0.037475783703  0.899591792108  0.335084123127  -0.003524982903  -0.002266070221  -0.000689676359
  3  Al  1.909280666452  1.963518760514  8.036121146778  0.002750658960  -0.040390235672  0.207863390756  -0.004426975776  -0.002644426701  -0.002833140674
  4  Al  0.058945924816  7.977432501513  4.256889560313  0.055920558845  0.396462379459  -0.899950404291  0.003315862723  -0.003168113609  0.003397786671
  5  Al  0.022520270474  2.010389485751  6.152270117636  -0.066651972574  -0.080674936826  -0.437143907437  0.000713234417  -0.001144110413  0.001014272814
  6  Al  1.970236055880  0.007030085554  6.052383621611  0.288731154732  -0.112392739832  0.279375841798  -0.001518116476  0.001064378476  0.000359170820
  7  Al  2.004388471379  2.043445284259  4.156079904002  -0.038996958290  -0.155823234167  -0.369923104177  -0.001121463935  -0.000270932586  0.002995462562
  8  Al  8.024117314955  4.181947116992  7.901604631508  0.090677306006  -0.357190362352  0.574744688392  -0.002732479021  0.003022809158  -0.004819110875
  9  Al  0.046938780989  6.050583276886  2.024785957139  -0.257547023157  -0.007519032406  -0.025952930392  0.000883715568  -0.001005535861  0.000444564835
  10  Al  2.103378532719  3.924963242317  2.039085093824  -0.400946085883  0.236538028002  0.322393184865  0.001022992125  -0.001969167544  0.002712275755
  11  Al  2.043875207357  6.129555507414  0.202068255590  -0.058417372582  -0.261104168581  -0.661361857678  -0.000141123067  0.001359663125  0.006078338534
  12  Al  8.051476702253  4.102373368555  3.936016049363  0.381672604177  -0.408242768683  0.221540088002  0.000705638181  0.000557983299  -0.002609912055
  13  Al  0.007524352167  6.015423610522  5.945451384344  -0.102632794550  0.029475291809  0.518999802267  -0.000279697062  -0.002082576258  -0.002585690541
  14  Al  1.976835350417  3.959921581189  6.112916467422  0.048613895161  0.237388545605  -0.325141549996  -0.002198451340  -0.003458393692  -0.000436029515
  15  Al  2.140055679286  6.077961428964  3.890012506566  -0.510542119892  -0.261065610675  0.774321398468  0.001423384934  -0.001234929249  -0.003450819893
  16  Al  4.246796936154  0.195216434194  0.027456587902  -0.179500056710  -0.630573819420  0.076978828863  0.006903671708  0.005141832433  0.002353614091
  17  Al  3.866104599015  1.863590091234  1.997864512354  0.429319282785  0.354994072417  0.201896235215  -0.004124610320  -0.004430944618  -0.000479191604
  18  Al  6.186628962887  7.936229635028  1.843907715776  -0.178047943650  0.781156085799  0.627605631391  0.002210956020  -0.003663769910  -0.004289300526
  19  Al  6.107963157536  2.172190430059  7.877479529282  -0.030103091342  -0.770261272612  1.154700230124  0.000055495586  0.001683296500  -0.004268776331
  20  Al  4.086232079125  0.173134075696  4.067092515625  -0.226842386199  -0.487070175938  0.170756358918  -0.000057342676  0.003608084735  0.000905419122
  21  Al  4.101585315709  1.985389769574  6.142663370139  -0.127580847595  0.267488828622  -0.101330891034  0.001824266665  -0.000030237658  0.003020810529
  22  Al  6.075724281364  0.056010144666  6.116600351589  -0.183640431574  -0.085360998790  -0.022265318077  -0.000487422836  0.003039885665  0.002151585219
  23  Al  6.208042089614  2.056778544390  4.032222329944  -0.206140649012  -0.006745670765  -0.019593757976  0.003459998490  0.001163952227  0.000504818047
  24  Al  4.108918825815  4.015320339926  0.167486500476  -0.095292438624  0.082927874425  -0.836129266717  0.002661185738  -0.001459844849  0.002145768906
  25  Al  4.000909498644  6.258994271659  2.181020015677  0.509890242757  -0.168782389246  -0.598935204928  0.000296938186  0.005739484026  0.003100098091
  26  Al  5.981973868625  4.198436939866  1.914773456806  0.515492528500  -0.551262466428  0.591894946730  -0.001716169906  0.003909351526  -0.001675060741
  27  Al  5.993515475858  6.139638773401  0.133524449801  -0.039554570787  -0.337589364788  -1.132877574593  -0.003130256945  0.000729675516  0.000443677379
  28  Al  4.084816492364  4.137357170012  4.167297587569  -0.107715485024  -0.053886374191  -0.176341953540  0.000737161612  0.003177462522  0.002804964424
  29  Al  3.930404385519  6.123968838691  6.314688260936  0.372785460350  -0.069366922483  -0.206629251031  -0.001648013367  0.001332254219  0.007441681774
  30  Al  6.117263211752  3.902356269577  6.099708203430  -0.174798403488  0.970567479754  -0.538462441391  0.000866829178  -0.001746989766  -0.000847937579
  31  Al  6.218426433636  6.018262810169  4.007025759463  -0.390134411962  0.274374043561  0.088214734023  0.003415623340  -0.000808862228  -0.002141761143


MDSTEP:  76
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -59.981017436158  0.248494763606  2.648462382562
  0.248494763606  -61.623959215714  -0.815420398021
  2.648462382562  -0.815420398021  -50.868758577057
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.951668396664  8.047067403522  7.986158352213  0.519302440349  0.000551443177  0.060321078676  -0.002867694580  -0.001802929417  -0.004781450223
  1  Al  8.045528554342  1.920211312826  1.851571656889  0.198941937296  0.318702237357  0.153972140652  -0.000393866989  -0.002285636195  -0.005928896194
  2  Al  1.924437133732  7.952090081966  1.960019788617  -0.038806881014  0.917424798202  0.336081140958  -0.003531802518  -0.002103630245  -0.000629674668
  3  Al  1.907067301517  1.962194741734  8.034713867860  0.007438797000  -0.037923462705  0.218742823062  -0.004426064846  -0.002651427889  -0.002795002385
  4  Al  0.060606355807  7.975866166435  4.258548226190  0.044636902077  0.405550896247  -0.908511054704  0.003324852488  -0.003096414200  0.003236111518
  5  Al  0.022873908363  2.009813824404  6.152757713867  -0.073611877726  -0.079135049895  -0.442759063555  0.000700694929  -0.001158397311  0.000935610121
  6  Al  1.969489903821  0.007557250878  6.052575695020  0.299800249355  -0.121414811093  0.288062018667  -0.001465502192  0.001043476249  0.000409899356
  7  Al  2.003825996262  2.043302852723  4.157561099853  -0.037141349027  -0.156530789564  -0.376255132642  -0.001128270645  -0.000298856811  0.002928754764
  8  Al  8.022755128687  4.183442555290  7.899220766952  0.095723094530  -0.362904257282  0.582049528110  -0.002715814960  0.002958433218  -0.004715694304
  9  Al  0.047369126513  6.050080172858  2.025007079471  -0.265543214760  -0.007037459954  -0.032935303018  0.000836951677  -0.001006837201  0.000439300270
  10  Al  2.103872106635  3.923989231710  2.040455642561  -0.402915225458  0.228466468868  0.314563401918  0.000951127502  -0.001927596477  0.002769219216
  11  Al  2.043802034588  6.130223667714  0.205077862220  -0.054042005052  -0.271138096988  -0.683557938177  -0.000151176855  0.001312081049  0.005958103672
  12  Al  8.051846581971  4.102634111899  3.934720996098  0.376929261066  -0.417674375068  0.222911419590  0.000773456642  0.000484146900  -0.002570178410
  13  Al  0.007379915987  6.014383639928  5.944181738178  -0.103930399782  0.030387749163  0.529031492280  -0.000298163663  -0.002077224545  -0.002491997298
  14  Al  1.975738297771  3.958202995526  6.112683918954  0.053275289409  0.247291156544  -0.321324270122  -0.002189342520  -0.003415063675  -0.000493823094
  15  Al  2.140744550704  6.077332294800  3.888321708508  -0.514149522772  -0.263460212638  0.790597437438  0.001331778239  -0.001281821480  -0.003310917275
  16  Al  4.250240748420  0.197759163987  0.028636835873  -0.187835827391  -0.643812440358  0.067583881218  0.006870832145  0.005027903218  0.002366537893
  17  Al  3.864061484272  1.861390487032  1.997633941241  0.431245157877  0.362662619940  0.205024198051  -0.004047676479  -0.004366786626  -0.000442813210
  18  Al  6.187726482218  7.934432667470  1.841791119259  -0.170766162883  0.800234259489  0.639896447283  0.002179772290  -0.003522394751  -0.004175986753
  19  Al  6.107989559732  2.172997647908  7.875396755802  -0.021587789867  -0.775854341840  1.176167470540  0.000050874459  0.001545074877  -0.004060398436
  20  Al  4.086193268014  0.174916346202  4.067552857934  -0.223001309589  -0.487520523607  0.179393297737  -0.000097558379  0.003520957028  0.000936722249
  21  Al  4.102491746224  1.985386607400  6.144169245949  -0.133274626992  0.269210742017  -0.107658188933  0.001800946374  0.000017742897  0.003002127055
  22  Al  6.075472361285  0.057526271893  6.117675148947  -0.188539601828  -0.093060415771  -0.030788899919  -0.000520695463  0.003023934919  0.002146842210
  23  Al  6.209762874446  2.057360218974  4.032473863134  -0.205496628166  -0.008450682941  -0.025554143748  0.003423198414  0.001162593684  0.000500781857
  24  Al  4.110245159146  4.014594124347  0.168522010252  -0.106273661028  0.085261389609  -0.845711722376  0.002643165873  -0.001444808850  0.001995413531
  25  Al  4.001080759647  6.261856469160  2.182543292534  0.518296188560  -0.167757574115  -0.609420823367  0.000388857313  0.005709397596  0.002992071932
  26  Al  5.981138826003  4.200366974395  1.913962383927  0.526610805262  -0.564853977186  0.600490687487  -0.001623006618  0.003809571519  -0.001568462323
  27  Al  5.991948579310  6.139988521036  0.133695649270  -0.039861023188  -0.342020595279  -1.151870389092  -0.003137356642  0.000668918874  0.000239422555
  28  Al  4.085180258326  4.138943492571  4.168692187359  -0.106046078990  -0.057972933392  -0.172787370998  0.000718051482  0.003167462380  0.002773752514
  29  Al  3.929597042211  6.124631865124  6.318399865569  0.370333328969  -0.068599546129  -0.203744641472  -0.001581579082  0.001319920116  0.007404994643
  30  Al  6.117688812915  3.901526158711  6.099260165564  -0.176496173354  0.983201883133  -0.548036336971  0.000835423696  -0.001572324191  -0.000945069788
  31  Al  6.220116806438  6.017870643475  4.005958822059  -0.393214092882  0.278175902059  0.096026815427  0.003345592548  -0.000759464661  -0.002125290081


MDSTEP:  77
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -59.449616294397  0.283982870230  2.770851379373
  0.283982870230  -61.039664905275  -0.696522824370
  2.770851379373  -0.696522824370  -50.266267987744
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.950257762006  8.046165963463  7.983770323432  0.528516979464  -0.002003964339  0.070455623562  -0.002774020278  -0.001803059271  -0.004769758880
  1  Al  8.045340513481  1.919082740604  1.848614091291  0.196708571072  0.322511755921  0.161289666254  -0.000358496118  -0.002228312126  -0.005900712015
  2  Al  1.922669497819  7.951079275402  1.959719973989  -0.041382378368  0.931905883638  0.342590268081  -0.003538971380  -0.001938301413  -0.000569001932
  3  Al  1.904854601606  1.960867332625  8.033326144393  0.010693213083  -0.035858652348  0.232845147466  -0.004424443857  -0.002658023957  -0.002754630746
  4  Al  0.062270777304  7.974336087314  4.260125671831  0.035521573521  0.411647456318  -0.920611948947  0.003332018598  -0.003023357255  0.003072589238
  5  Al  0.023220965403  2.009231088440  6.153205727757  -0.078448690186  -0.078716102875  -0.453357165870  0.000687100824  -0.001172509090  0.000855497975
  6  Al  1.968770553688  0.008073561804  6.052793520967  0.308742320672  -0.133097867366  0.290550670240  -0.001411098925  0.001020722999  0.000461626914
  7  Al  2.003260200734  2.043146427447  4.159008658767  -0.036938662716  -0.157869701919  -0.386551722172  -0.001134893345  -0.000326963989  0.002860560380
  8  Al  8.021401499996  4.184905550210  7.896888937204  0.104177300625  -0.365922427569  0.592121460943  -0.002697944008  0.002893276636  -0.004610724263
  9  Al  0.047775732666  6.049576439685  2.025225257409  -0.270678010858  -0.005668736783  -0.034660488701  0.000789013886  -0.001007973126  0.000433257255
  10  Al  2.104329660221  3.923035645840  2.041854313040  -0.406235917205  0.223239953811  0.311381143740  0.000878789972  -0.001887214248  0.002825178207
  11  Al  2.043724030503  6.130867588463  0.208026359263  -0.051328719547  -0.280995847974  -0.700362550111  -0.000160596922  0.001262720672  0.005834382177
  12  Al  8.052250158894  4.102857515455  3.933445870953  0.374748913656  -0.424219095889  0.220911556229  0.000840656129  0.000408882230  -0.002530500956
  13  Al  0.007226188504  6.013346385977  5.942959387046  -0.102390686183  0.033122881883  0.532653207910  -0.000316608620  -0.002071546740  -0.002397083450
  14  Al  1.974646007897  3.956506517514  6.112422644328  0.056593546123  0.259581052985  -0.322417977239  -0.002179520325  -0.003369749664  -0.000551373188
  15  Al  2.141387457525  6.076679607484  3.886701589291  -0.518940850394  -0.264614870923  0.803344674210  0.001239420703  -0.001329031012  -0.003168419998
  16  Al  4.253667768298  0.200244337412  0.029823125795  -0.198189029203  -0.659527138698  0.062204375104  0.006836321800  0.004911385598  0.002378140870
  17  Al  3.862056922536  1.859223304608  1.997421699144  0.429859689152  0.369198384860  0.213473505479  -0.003970694325  -0.004301358779  -0.000405399817
  18  Al  6.188808735177  7.932707240278  1.839731729023  -0.161797844230  0.815689717712  0.657513939799  0.002150041307  -0.003377932310  -0.004059999198
  19  Al  6.108014031995  2.173735504936  7.873419130847  -0.011397413662  -0.781858358259  1.198377691437  0.000047925605  0.001405816483  -0.003848115807
  20  Al  4.086134520747  0.176655032724  4.068029237875  -0.221711296089  -0.491280726664  0.183964836905  -0.000137315366  0.003433452901  0.000969206205
  21  Al  4.103386262083  1.985407512472  6.145665497194  -0.141282754234  0.270097858915  -0.118953763394  0.001776401141  0.000065956698  0.002981868110
  22  Al  6.075203585902  0.059034079585  6.118747193799  -0.191252188765  -0.103119563882  -0.044742187811  -0.000554648575  0.003006396570  0.002140089786
  23  Al  6.211465288028  2.057941138074  4.032723111801  -0.202645469757  -0.011027573656  -0.034573440243  0.003386710804  0.001160852342  0.000495406494
  24  Al  4.111561991688  4.013875531075  0.169481914008  -0.120560057170  0.090446777873  -0.850358820129  0.002622887102  -0.001429100666  0.001843786046
  25  Al  4.001298355957  6.264703669255  2.184012087608  0.523543935468  -0.166244341097  -0.614474054648  0.000481997071  0.005679538065  0.002882656610
  26  Al  5.980350862007  4.202246511386  1.913204994483  0.538323821356  -0.574482222291  0.614584850861  -0.001527802229  0.003707715683  -0.001459835444
  27  Al  5.990378119216  6.140307692276  0.133763872356  -0.038710827894  -0.344926409022  -1.165161521257  -0.003144380909  0.000607506307  0.000032281570
  28  Al  4.085534543846  4.140524632392  4.170071340083  -0.107285213535  -0.058964751267  -0.173573249364  0.000698979818  0.003157008236  0.002742788124
  29  Al  3.928822806437  6.125288758807  6.322093255579  0.364559708147  -0.067037790143  -0.206006016109  -0.001515880173  0.001307794235  0.007368363229
  30  Al  6.118098635448  3.900783945386  6.098763133643  -0.176396733354  0.996593304813  -0.562345363852  0.000803875324  -0.001395331926  -0.001044337113
  31  Al  6.221772026183  6.017503345508  4.004900469382  -0.394416828990  0.283401114236  0.099887651630  0.003275178910  -0.000709260080  -0.002107775469


MDSTEP:  78
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -58.924536587123  0.320317068767  2.898543014351
  0.320317068767  -60.461910896449  -0.572458006380
  2.898543014351  -0.572458006380  -49.683192929667
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.948894376385  8.045264344251  7.981388593333  0.534824936994  -0.004226415004  0.076571504713  -0.002678958276  -0.001803616262  -0.004756614761
  1  Al  8.045170058224  1.917983000701  1.845670944874  0.190784325066  0.327953948557  0.163196046156  -0.000323854532  -0.002170160960  -0.005871703226
  2  Al  1.920898162352  7.950151780553  1.959450786685  -0.041886035702  0.945948320562  0.343724480102  -0.003546415517  -0.001770422599  -0.000507645888
  3  Al  1.902642857660  1.959536717777  8.031959237114  0.016480891880  -0.032118432309  0.241947163324  -0.004422014512  -0.002664101060  -0.002712184655
  4  Al  0.063938374404  7.972842809180  4.261620815427  0.023386653439  0.418162446038  -0.927017429767  0.003337284951  -0.002949172847  0.002907412501
  5  Al  0.023561009187  2.008641315314  6.153613211843  -0.085980687980  -0.076624542938  -0.459167107734  0.000672400956  -0.001186396432  0.000773918962
  6  Al  1.968078804896  0.008577973877  6.053037321934  0.319756340811  -0.143584559498  0.298385655619  -0.001354911597  0.000995987789  0.000514277398
  7  Al  2.002691102917  2.042975888734  4.160421660234  -0.034608206848  -0.157819634599  -0.390927173271  -0.001141289583  -0.000355186389  0.002791054327
  8  Al  8.020057184679  4.186335831927  7.894610042689  0.109563908407  -0.369714991717  0.597902710802  -0.002678835698  0.002827511181  -0.004504336958
  9  Al  0.048158140399  6.049072199732  2.025440336725  -0.278509264546  -0.005553276019  -0.041030702995  0.000739916938  -0.001008976366  0.000426490516
  10  Al  2.104750896607  3.922102017462  2.043280820769  -0.406794600113  0.217531936504  0.302834486408  0.000806105629  -0.001847809558  0.002880088643
  11  Al  2.043641437667  6.131486388386  0.210912244397  -0.046251302095  -0.291881763752  -0.722267045028  -0.000169320505  0.001211505826  0.005707200115
  12  Al  8.052687238101  4.103042994129  3.932190495142  0.369306403654  -0.431140922527  0.223413860501  0.000907174139  0.000332413660  -0.002490778583
  13  Al  0.007063307367  6.012312093188  5.941784654728  -0.103494229082  0.034110005853  0.541425090258  -0.000335014583  -0.002065536168  -0.002301061623
  14  Al  1.973558777445  3.954833245861  6.112132545766  0.061867003298  0.270905354304  -0.317987128060  -0.002168930038  -0.003322324561  -0.000608624943
  15  Al  2.141983971407  6.076003263788  3.885153288510  -0.521518814863  -0.267093731907  0.819231013090  0.001146404357  -0.001376565379  -0.003023362899
  16  Al  4.257077070220  0.202670549585  0.031014976743  -0.206821301570  -0.673882061699  0.051628961397  0.006800114168  0.004792179775  0.002388317488
  17  Al  3.860090789947  1.857089128253  1.997228541424  0.431947824091  0.377346878233  0.216725526330  -0.003893649354  -0.004234618170  -0.000366940333
  18  Al  6.189876523525  7.931054735159  1.837731120061  -0.154791263782  0.831111181615  0.669626438366  0.002121738469  -0.003230709495  -0.003941353803
  19  Al  6.108037485337  2.174403464390  7.871548639995  -0.003417804284  -0.785060292596  1.216196288989  0.000046601135  0.001265735083  -0.003632254631
  20  Al  4.086055952649  0.178349799103  4.068522064139  -0.216966416785  -0.493234064050  0.193470398382  -0.000176532838  0.003345437987  0.001002948644
  21  Al  4.104268147365  1.985452564098  6.147151114059  -0.146892151151  0.272294400733  -0.125357735166  0.001750638512  0.000114446176  0.002960026838
  22  Al  6.074917712710  0.060532668463  6.119815238732  -0.196127722607  -0.112085451438  -0.054604308548  -0.000589280061  0.002987157396  0.002131208280
  23  Al  6.213149585250  2.058521071316  4.032969269628  -0.202363896678  -0.012702329924  -0.038984323751  0.003350503258  0.001158730905  0.000488830483
  24  Al  4.112868046248  4.013165023681  0.170365796297  -0.132016747772  0.094604967165  -0.859864456639  0.002600306918  -0.001412557174  0.001690893315
  25  Al  4.001562756718  6.267536007225  2.185425949144  0.531056568637  -0.166060826150  -0.623709230120  0.000576277597  0.005649830222  0.002771963916
  26  Al  5.979611023774  4.204074690079  1.912502548483  0.547915892951  -0.585014501540  0.622601364494  -0.001430693180  0.003604057510  -0.001349231887
  27  Al  5.988804198401  6.140596027343  0.133727930840  -0.039251980977  -0.349481358549  -1.182480424764  -0.003151350728  0.000545426752  -0.000177595930
  28  Al  4.085879238144  4.142100500807  4.171434975483  -0.105362641765  -0.061246941104  -0.169082196593  0.000679969252  0.003146261397  0.002712154974
  29  Al  3.928081162038  6.125939659359  6.325768228799  0.361774722231  -0.067001566549  -0.203693049596  -0.001450946398  0.001295811213  0.007331736428
  30  Al  6.118492688239  3.900130826785  6.098215828451  -0.178307413458  1.008668635733  -0.570883246857  0.000772165029  -0.001216062952  -0.001145646935
  31  Al  6.223391985348  6.017161383396  4.003851046590  -0.397302989402  0.286889588573  0.108174569959  0.003204399728  -0.000658276501  -0.002089174856


MDSTEP:  79
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -58.413466614158  0.358741548623  3.022294486165
  0.358741548623  -59.894127726226  -0.443305236803
  3.022294486165  -0.443305236803  -49.111121022270
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.947578803730  8.044362347201  7.979013708671  0.543576667990  -0.004954972375  0.086520083637  -0.002582549949  -0.001804437072  -0.004742034490
  1  Al  8.045016658949  1.916912579644  1.842742388065  0.187881080945  0.332524075592  0.168891169272  -0.000290002117  -0.002111114700  -0.005842014868
  2  Al  1.919123082303  7.949308852803  1.959212328101  -0.043426529924  0.960246529520  0.348436402228  -0.003554042398  -0.001600010151  -0.000445767203
  3  Al  1.900432587094  1.958203231565  8.030613959738  0.020682320283  -0.028993338929  0.255162330013  -0.004418692147  -0.002669564408  -0.002667743424
  4  Al  0.065608062255  7.971386914467  4.263033084332  0.013527632607  0.425393651942  -0.937487659789  0.003340585061  -0.002873759539  0.002740727088
  5  Al  0.023893366359  2.008044692008  6.153979646719  -0.091306885014  -0.075345498669  -0.467933968749  0.000656551574  -0.001199982445  0.000691036793
  6  Al  1.967415642091  0.009069549593  6.053307798364  0.328752490036  -0.152832018499  0.302066562896  -0.001296935374  0.000969488360  0.000567957394
  7  Al  2.002118911151  2.042791241059  4.161799713093  -0.033920145005  -0.158522736678  -0.399865916287  -0.001147415969  -0.000383467169  0.002720357994
  8  Al  8.018722664298  4.187733061390  7.892384600246  0.118012505585  -0.374663668040  0.607288208482  -0.002658490530  0.002760964264  -0.004396593757
  9  Al  0.048515649604  6.048567463319  2.025651747926  -0.283444658000  -0.004872936663  -0.043941697190  0.000689678662  -0.001009908462  0.000418894045
  10  Al  2.105135765850  3.921187836282  2.044734401683  -0.409005833529  0.210894105645  0.297386082076  0.000733173657  -0.001809508578  0.002933747930
  11  Al  2.043554709998  6.132079094289  0.213733559377  -0.043118021788  -0.301907906514  -0.738275590718  -0.000177310058  0.001158421457  0.005576628654
  12  Al  8.053157333034  4.103189929115  3.930955092370  0.366370028361  -0.438683007305  0.221914755728  0.000972943083  0.000254652027  -0.002450966525
  13  Al  0.006891173921  6.011280849809  5.940658325423  -0.101961045676  0.036170171972  0.545625410382  -0.000353382137  -0.002059253171  -0.002203880090
  14  Al  1.972477077859  3.953184192952  6.111814019384  0.065060026695  0.280798029077  -0.316924763219  -0.002157582852  -0.003273002676  -0.000665385609
  15  Al  2.142533861882  6.075303042105  3.883678226392  -0.525354172917  -0.268444121026  0.830255657255  0.001052814666  -0.001424442077  -0.002875899978
  16  Al  4.260467882467  0.205036517187  0.032211443283  -0.217705010109  -0.686933706560  0.045647388801  0.006762161821  0.004670523825  0.002397013924
  17  Al  3.858163273182  1.854988686438  1.997054758811  0.430662269307  0.384411296643  0.223438464583  -0.003816532632  -0.004166517537  -0.000327589989
  18  Al  6.190930473646  7.929476530783  1.835790375220  -0.146254178353  0.846652046897  0.685301632784  0.002094825223  -0.003080718670  -0.003820224208
  19  Al  6.108060633130  2.175001240019  7.869786876216  0.006573108828  -0.788890747286  1.235972061423  0.000046883217  0.001125024993  -0.003413032545
  20  Al  4.085957987909  0.180000470711  4.069032186518  -0.214760324483  -0.494689501994  0.198066465535  -0.000215128898  0.003257118331  0.001037951757
  21  Al  4.105136900595  1.985521958647  6.148625524032  -0.154699299240  0.273240830431  -0.134961180360  0.001723676454  0.000163216633  0.002936754514
  22  Al  6.074614305841  0.062021236982  6.120878402079  -0.199046202538  -0.119733773972  -0.067981679399  -0.000624608325  0.002966432925  0.002120249181
  23  Al  6.214815791286  2.059099868979  4.033211942284  -0.200036747462  -0.015375463458  -0.047278445320  0.003314528930  0.001156220771  0.000481118653
  24  Al  4.114162298606  4.012462973902  0.171172807323  -0.146245672721  0.097509650176  -0.863688751702  0.002575430457  -0.001395382265  0.001536808899
  25  Al  4.001874633554  6.270353499477  2.186784051524  0.535281096812  -0.164673282876  -0.629261534694  0.000671607417  0.005620262831  0.002659949231
  26  Al  5.978920168827  4.205850568896  1.911855762596  0.558487351513  -0.595459953328  0.634231498001  -0.001331781526  0.003498523944  -0.001236871934
  27  Al  5.987226768487  6.140853119028  0.133586276426  -0.038070820288  -0.352412827525  -1.193797915244  -0.003158263331  0.000482677917  -0.000390033504
  28  Al  4.086214513098  4.143670893789  4.172783495056  -0.106311950144  -0.064091066377  -0.169718297700  0.000661045696  0.003135056269  0.002681866453
  29  Al  3.927371860039  6.126584570020  6.329424992007  0.356084543700  -0.065654596529  -0.204760191105  -0.001386770296  0.001283951848  0.007295221002
  30  Al  6.118870800476  3.899567882434  6.097617486708  -0.177989755273  1.018071233193  -0.582276420491  0.000740312318  -0.001034873866  -0.001248738579
  31  Al  6.224976425911  6.016845069006  4.002811294526  -0.398293870199  0.291223503515  0.111949838874  0.003133273941  -0.000606593607  -0.002069495892


MDSTEP:  80
LATTICE_CONSTANT: 0.999999601437 Angstrom
LATTICE_VECTORS
  8.100000000000  0.000000000000  0.000000000000
  0.000000000000  8.100000000000  0.000000000000
  0.000000000000  0.000000000000  8.100000000000
VIRIAL (kbar)
  -57.911715043398  0.398350832264  3.148059971275
  0.398350832264  -59.335353091053  -0.308790309701
  3.148059971275  -0.308790309701  -48.557476751752
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Al  7.946311826437  8.043459907179  7.976646558843  0.550811470746  -0.006407222674  0.094161549019  -0.002904921736  -0.002110787201  -0.005525112773
  1  Al  8.044880056107  1.915871886001  1.839828930006  0.183151923758  0.337241743058  0.171333995481  -0.000300266922  -0.002398139159  -0.006794444283
  2  Al  1.917344119953  7.948551770402  1.959005019482  -0.044122274297  0.973059866841  0.349953647987  -0.004164244966  -0.001668534583  -0.000448159868
  3  Al  1.898224165513  1.956867153369  8.029291493690  0.026197461664  -0.025422933123  0.265218429243  -0.005161072201  -0.003126722977  -0.003064517225
  4  Al  0.067278959466  7.969969049641  4.264361542515  0.002250325083  0.431763374790  -0.944328494546  0.003907186810  -0.003270175067  0.003007548823
  5  Al  0.024217560761  2.007441332869  6.154304248636  -0.098125257648  -0.073721725787  -0.473676696313  0.000747787060  -0.001418501184  0.000709487927
  6  Al  1.966781869522  0.009547462237  6.053605279328  0.338463972662  -0.162338546834  0.308712384976  -0.001446534006  0.001100505086  0.000727846720
  7  Al  2.001543686948  2.042592421565  4.163142018227  -0.032215908265  -0.159009713202  -0.405280371531  -0.001348376953  -0.000481506274  0.003096266651
  8  Al  8.017398694149  4.189096796191  7.890213448932  0.124870249143  -0.379040078348  0.613968394444  -0.003082703121  0.003149116855  -0.005012492712
  9  Al  0.048847819061  6.048062291270  2.025859230770  -0.289625660196  -0.004070600818  -0.049718901959  0.000746419322  -0.001181636803  0.000479947272
  10  Al  2.105484070265  3.920292508884  2.046214568698  -0.409472683241  0.204850168101  0.288609098435  0.000771620451  -0.002072075949  0.003491144378
  11  Al  2.043464127608  6.132644809843  0.216488873051  -0.038996075377  -0.311989431665  -0.757106100612  -0.000215878785  0.001290167733  0.006363441522
  12  Al  8.053660181184  4.103297646156  3.929739528617  0.361559093214  -0.445370878664  0.223106262245  0.001213567067  0.000205318431  -0.002818955949
  13  Al  0.006709925230  6.010252840017  5.939580774638  -0.101706900958  0.038035293908  0.552733744324  -0.000434432402  -0.002399753873  -0.002461796990
  14  Al  1.971401194593  3.951560243185  6.111467160157  0.069435277633  0.291019083546  -0.312333831037  -0.002508411470  -0.003766760599  -0.000843683250
  15  Al  2.143036786073  6.074578821710  3.882277388532  -0.527912343421  -0.269743167429  0.842932372131  0.001120778827  -0.001721591121  -0.003187387321
  16  Al  4.263839232042  0.207341073410  0.033411990667  -0.227746435103  -0.699912440896  0.036583110732  0.007859206466  0.005315442115  0.002810986429
  17  Al  3.856274257315  1.852922610716  1.996900951436  0.430968315492  0.392010011238  0.226994864060  -0.004371920378  -0.004789999917  -0.000335912789
  18  Al  6.191971348748  7.927974016490  1.833910895852  -0.138383334676  0.860717964520  0.697325938316  0.002419347795  -0.003423271874  -0.004321782548
  19  Al  6.108084368555  2.175528489383  7.868135607450  0.015511407493  -0.791183447053  1.252405439247  0.000057120244  0.001150140170  -0.003730156395
  20  Al  4.085840823751  0.181606917434  4.069560015897  -0.210850253260  -0.496248880056  0.205640772041  -0.000295995134  0.003704384086  0.001255682751
  21  Al  4.105991823818  1.985615780730  6.150087868573  -0.161285128860  0.274545245817  -0.141551756152  0.001982154807  0.000248073152  0.003404511550
  22  Al  6.074293104385  0.063499101387  6.121935487913  -0.202774057568  -0.127604221150  -0.078964175422  -0.000772238330  0.003442258426  0.002463462697
  23  Al  6.216464114181  2.059677292087  4.033450388281  -0.198968929262  -0.017898571462  -0.052564334950  0.003833371642  0.001348280631  0.000552049023
  24  Al  4.115443476706  4.011769641416  0.171902605196  -0.159125901232  0.100680164782  -0.870218998450  0.002979064880  -0.001610651894  0.001615485677
  25  Al  4.002234364135  6.273156270056  2.188085898375  0.540339641708  -0.163790333680  -0.636907991886  0.000897610287  0.006536419308  0.002977456323
  26  Al  5.978279242248  4.207573214022  1.911265676549  0.567659010922  -0.605156658029  0.642069384016  -0.001439306695  0.003964700493  -0.001312652298
  27  Al  5.985645935070  6.141078705259  0.133337897336  -0.037378796490  -0.355635205719  -1.206947791655  -0.003700267996  0.000490303408  -0.000706916996
  28  Al  4.086540283840  4.145235557076  4.174116841936  -0.105559352837  -0.066630112917  -0.167136411793  0.000750695915  0.003651587584  0.003100210542
  29  Al  3.926694391741  6.127223611207  6.333063449801  0.351749005420  -0.064931476777  -0.203465881921  -0.001547316392  0.001487442428  0.008486306218
  30  Al  6.119233000557  3.899095952919  6.096967089872  -0.178618447925  1.027080530855  -0.589870437677  0.000828240286  -0.000996133760  -0.001582433394
  31  Al  6.226525259289  6.016554789788  4.001781550697  -0.400099414321  0.295102198826  0.118322789207  0.003579719881  -0.000647897668  -0.002395416947


