MDSTEP:  0
LATTICE_CONSTANT: 5.429356020000 Angstrom
LATTICE_VECTORS
  0.000000000000  0.500000000000  0.500000000000
  0.500000000000  0.000000000000  0.500000000000
  0.500000000000  0.500000000000  0.000000000000
VIRIAL (kbar)
  99.983369329343  -0.002156024225  0.000623790323
  -0.002156024225  99.983629636459  -0.002192821004
  0.000623790323  -0.002192821004  99.983809480445
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Si  0.000000000000  0.000000000000  0.000000000000  -0.000015083243  -0.000002214029  -0.000007948961  -0.002426010767  0.001787350084  0.002059539968
  1  Si  1.357338917209  1.357338917209  1.357338917209  0.000015083243  0.000002214029  0.000007948961  0.002426010767  -0.001787350084  -0.002059539968


MDSTEP:  1
LATTICE_CONSTANT: 5.429356020000 Angstrom
LATTICE_VECTORS
  0.000000000000  0.500000000000  0.500000000000
  0.500000000000  0.000000000000  0.500000000000
  0.500000000000  0.500000000000  0.000000000000
VIRIAL (kbar)
  99.981208031595  1.156333770868  1.003048952890
  1.156333770868  99.976162559525  -1.363877045174
  1.003048952890  -1.363877045174  99.978171032171
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Si  5.428142755751  2.715571440885  2.715707525153  0.028726336949  -0.020805165718  -0.024251880881  -0.002423173747  0.001785289594  0.002057141325
  1  Si  1.358551830292  1.356445310741  1.356309226473  -0.028726336949  0.020805165718  0.024251880881  0.002423173747  -0.001785289594  -0.002057141325


MDSTEP:  2
LATTICE_CONSTANT: 5.429356020000 Angstrom
LATTICE_VECTORS
  0.000000000000  0.500000000000  0.500000000000
  0.500000000000  0.000000000000  0.500000000000
  0.500000000000  0.500000000000  0.000000000000
VIRIAL (kbar)
  99.940321262221  2.308027015581  2.002267837715
  2.308027015581  99.921872396620  -2.719533488700
  2.002267837715  -2.719533488700  99.929092407956
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Si  5.426932680282  2.716462987569  2.716734818522  0.056075652139  -0.039905175567  -0.046853699396  -0.002414783192  0.001779259615  0.002050094338
  1  Si  1.359761905762  1.355553764057  1.355281933104  -0.056075652139  0.039905175567  0.046853699396  0.002414783192  -0.001779259615  -0.002050094338


MDSTEP:  3
LATTICE_CONSTANT: 5.429356020000 Angstrom
LATTICE_VECTORS
  0.000000000000  0.500000000000  0.500000000000
  0.500000000000  0.000000000000  0.500000000000
  0.500000000000  0.500000000000  0.000000000000
VIRIAL (kbar)
  99.876149702489  3.461641302126  3.001505752102
  3.461641302126  99.837180254513  -4.081311771340
  3.001505752102  -4.081311771340  99.852355621453
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Si  5.425728155635  2.717350565606  2.717757464063  0.082245421148  -0.057524165099  -0.068201458072  -0.002401078171  0.001769546823  0.002038663098
  1  Si  1.360966430408  1.354666186020  1.354259287563  -0.082245421148  0.057524165099  0.068201458072  0.002401078171  -0.001769546823  -0.002038663098


MDSTEP:  4
LATTICE_CONSTANT: 5.429356020000 Angstrom
LATTICE_VECTORS
  0.000000000000  0.500000000000  0.500000000000
  0.500000000000  0.000000000000  0.500000000000
  0.500000000000  0.500000000000  0.000000000000
VIRIAL (kbar)
  99.781759168338  4.616789159408  3.999954217132
  4.616789159408  99.718875513621  -5.447679362398
  3.999954217132  -5.447679362398  99.743382779176
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Si  5.424531781778  2.718232401981  2.718773329073  0.107325423946  -0.073802114430  -0.088332374299  -0.002382282827  0.001756414685  0.002023084407
  1  Si  1.362162804266  1.353784349645  1.353243422554  -0.107325423946  0.073802114430  0.088332374299  0.002382282827  -0.001756414685  -0.002023084407


MDSTEP:  5
LATTICE_CONSTANT: 5.429356020000 Angstrom
LATTICE_VECTORS
  0.000000000000  0.500000000000  0.500000000000
  0.500000000000  0.000000000000  0.500000000000
  0.500000000000  0.500000000000  0.000000000000
VIRIAL (kbar)
  99.657227115273  5.774957520236  4.998985943850
  5.774957520236  99.570765540155  -6.820506340188
  4.998985943850  -6.820506340188  99.604472274369
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Si  5.423346047871  2.719106851221  2.719780399804  0.131257298421  -0.088787336814  -0.107257800365  -0.002358628608  0.001740117511  0.002003599201
  1  Si  1.363348538172  1.352909900405  1.352236351822  -0.131257298421  0.088787336814  0.107257800365  0.002358628608  -0.001740117511  -0.002003599201


MDSTEP:  6
LATTICE_CONSTANT: 5.429356020000 Angstrom
LATTICE_VECTORS
  0.000000000000  0.500000000000  0.500000000000
  0.500000000000  0.000000000000  0.500000000000
  0.500000000000  0.500000000000  0.000000000000
VIRIAL (kbar)
  99.518123867728  6.935994352786  6.000059264008
  6.935994352786  99.411754500569  -8.198362458677
  6.000059264008  -8.198362458677  99.453309554907
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Si  5.422173322558  2.719972394523  2.720776784383  0.153985693416  -0.102465335831  -0.124950192179  -0.002330365496  0.001720912762  0.001980457035
  1  Si  1.364521263486  1.352044357103  1.351239967243  -0.153985693416  0.102465335831  0.124950192179  0.002330365496  -0.001720912762  -0.001980457035


MDSTEP:  7
LATTICE_CONSTANT: 5.429356020000 Angstrom
LATTICE_VECTORS
  0.000000000000  0.500000000000  0.500000000000
  0.500000000000  0.000000000000  0.500000000000
  0.500000000000  0.500000000000  0.000000000000
VIRIAL (kbar)
  99.308275086192  8.097728631993  6.991123613445
  8.097728631993  99.190381025904  -9.588224720288
  6.991123613445  -9.588224720288  99.236484271185
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Si  5.421015845181  2.720827643754  2.721760718479  0.175300887108  -0.115063014150  -0.141395409867  -0.002297773527  0.001699044611  0.001953917017
  1  Si  1.365678740863  1.351189107872  1.350256033147  -0.175300887108  0.115063014150  0.141395409867  0.002297773527  -0.001699044611  -0.001953917017


MDSTEP:  8
LATTICE_CONSTANT: 5.429356020000 Angstrom
LATTICE_VECTORS
  0.000000000000  0.500000000000  0.500000000000
  0.500000000000  0.000000000000  0.500000000000
  0.500000000000  0.500000000000  0.000000000000
VIRIAL (kbar)
  99.098681054442  9.253614320369  7.981664972002
  9.253614320369  98.978546460081  -10.969490882414
  7.981664972002  -10.969490882414  99.025462731148
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Si  5.419875704395  2.721671324253  2.722730569285  0.195488938574  -0.126446968869  -0.156711411048  -0.002261132412  0.001674753425  0.001924234432
  1  Si  1.366818881649  1.350345427373  1.349286182341  -0.195488938574  0.126446968869  0.156711411048  0.002261132412  -0.001674753425  -0.001924234432


MDSTEP:  9
LATTICE_CONSTANT: 5.429356020000 Angstrom
LATTICE_VECTORS
  0.000000000000  0.500000000000  0.500000000000
  0.500000000000  0.000000000000  0.500000000000
  0.500000000000  0.500000000000  0.000000000000
VIRIAL (kbar)
  98.856417892070  10.449565661703  9.000958404436
  10.449565661703  98.745829635121  -12.401668042150
  9.000958404436  -12.401668042150  98.789177547664
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Si  5.418754860099  2.722502288055  2.723684827531  0.213403329174  -0.136164555192  -0.170083728323  -0.002220799966  0.001648332666  0.001891727779
  1  Si  1.367939725944  1.349514463571  1.348331924095  -0.213403329174  0.136164555192  0.170083728323  0.002220799966  -0.001648332666  -0.001891727779


MDSTEP:  10
LATTICE_CONSTANT: 5.429356020000 Angstrom
LATTICE_VECTORS
  0.000000000000  0.500000000000  0.500000000000
  0.500000000000  0.000000000000  0.500000000000
  0.500000000000  0.500000000000  0.000000000000
VIRIAL (kbar)
  98.591221150019  11.593751295236  9.978157827498
  11.593751295236  98.500758422182  -13.775013037696
  9.978157827498  -13.775013037696  98.536353188162
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Si  5.417655043235  2.723319553893  2.724622178826  0.230752299128  -0.145171749822  -0.182847771162  -0.002177088640  0.001620034421  0.001856673123
  1  Si  1.369039542809  1.348697197733  1.347394572800  -0.230752299128  0.145171749822  0.182847771162  0.002177088640  -0.001620034421  -0.001856673123


MDSTEP:  11
LATTICE_CONSTANT: 5.429356020000 Angstrom
LATTICE_VECTORS
  0.000000000000  0.500000000000  0.500000000000
  0.500000000000  0.000000000000  0.500000000000
  0.500000000000  0.500000000000  0.000000000000
VIRIAL (kbar)
  98.301147530701  12.749820202141  10.959859341147
  12.749820202141  98.243257797492  -15.167868766135
  10.959859341147  -15.167868766135  98.266251554035
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Si  5.416577901406  2.724122225779  2.725541389832  0.246153333316  -0.152858236820  -0.194005575704  -0.002130284406  0.001590082010  0.001819318723
  1  Si  1.370116684637  1.347894525847  1.346475361794  -0.246153333316  0.152858236820  0.194005575704  0.002130284406  -0.001590082010  -0.001819318723


MDSTEP:  12
LATTICE_CONSTANT: 5.429356020000 Angstrom
LATTICE_VECTORS
  0.000000000000  0.500000000000  0.500000000000
  0.500000000000  0.000000000000  0.500000000000
  0.500000000000  0.500000000000  0.000000000000
VIRIAL (kbar)
  97.999927927966  13.889372240542  11.926507449551
  13.889372240542  97.985677191970  -16.543716949534
  11.926507449551  -16.543716949534  97.991849626156
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Si  5.415524879707  2.724909545678  2.726441394317  0.260236736086  -0.159500433492  -0.204000027568  -0.002080738004  0.001558727483  0.001779960617
  1  Si  1.371169706337  1.347107205948  1.345575357309  -0.260236736086  0.159500433492  0.204000027568  0.002080738004  -0.001558727483  -0.001779960617


MDSTEP:  13
LATTICE_CONSTANT: 5.429356020000 Angstrom
LATTICE_VECTORS
  0.000000000000  0.500000000000  0.500000000000
  0.500000000000  0.000000000000  0.500000000000
  0.500000000000  0.500000000000  0.000000000000
VIRIAL (kbar)
  97.667296168010  15.030043916349  12.888668735751
  15.030043916349  97.707070780024  -17.925506859214
  12.888668735751  -17.925506859214  97.692277866441
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Si  5.414497275150  2.725680869549  2.727321254855  0.272596013134  -0.165067859533  -0.212614472490  -0.002028779731  0.001526200928  0.001738874401
  1  Si  1.372197310893  1.346335882077  1.344695496771  -0.272596013134  0.165067859533  0.212614472490  0.002028779731  -0.001526200928  -0.001738874401


MDSTEP:  14
LATTICE_CONSTANT: 5.429356020000 Angstrom
LATTICE_VECTORS
  0.000000000000  0.500000000000  0.500000000000
  0.500000000000  0.000000000000  0.500000000000
  0.500000000000  0.500000000000  0.000000000000
VIRIAL (kbar)
  97.342692168579  16.161070319120  13.843438027777
  16.161070319120  97.445399378533  -19.296213542215
  13.843438027777  -19.296213542215  97.406003809746
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Si  5.413496202612  2.726435669395  2.728180180747  0.283543737115  -0.169613103438  -0.220034634319  -0.001974745775  0.001492729114  0.001696336570
  1  Si  1.373198383431  1.345581082231  1.343836570879  -0.283543737115  0.169613103438  0.220034634319  0.001974745775  -0.001492729114  -0.001696336570


MDSTEP:  15
LATTICE_CONSTANT: 5.429356020000 Angstrom
LATTICE_VECTORS
  0.000000000000  0.500000000000  0.500000000000
  0.500000000000  0.000000000000  0.500000000000
  0.500000000000  0.500000000000  0.000000000000
VIRIAL (kbar)
  97.002059965298  17.274018233780  14.783223280048
  17.274018233780  97.175318063734  -20.644370038848
  14.783223280048  -20.644370038848  97.108497297746
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Si  5.412522623079  2.727173527831  2.729017510931  0.293149771792  -0.173210190255  -0.226351018344  -0.001918936145  0.001458525743  0.001652597201
  1  Si  1.374171962964  1.344843223795  1.342999240695  -0.293149771792  0.173210190255  0.226351018344  0.001918936145  -0.001458525743  -0.001652597201


MDSTEP:  16
LATTICE_CONSTANT: 5.429356020000 Angstrom
LATTICE_VECTORS
  0.000000000000  0.500000000000  0.500000000000
  0.500000000000  0.000000000000  0.500000000000
  0.500000000000  0.500000000000  0.000000000000
VIRIAL (kbar)
  96.662441076938  18.362714988460  15.702146087939
  18.362714988460  96.912950454366  -21.965620876136
  15.702146087939  -21.965620876136  96.815840385320
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Si  5.411577351460  2.727894130537  2.729832704752  0.301711431291  -0.176143069168  -0.231825568862  -0.001861615461  0.001423771271  0.001607873009
  1  Si  1.375117234583  1.344122621089  1.342184046874  -0.301711431291  0.176143069168  0.231825568862  0.001861615461  -0.001423771271  -0.001607873009


MDSTEP:  17
LATTICE_CONSTANT: 5.429356020000 Angstrom
LATTICE_VECTORS
  0.000000000000  0.500000000000  0.500000000000
  0.500000000000  0.000000000000  0.500000000000
  0.500000000000  0.500000000000  0.000000000000
VIRIAL (kbar)
  96.328883073774  19.450049957504  16.621985030989
  19.450049957504  96.661186762439  -23.282068119011
  16.621985030989  -23.282068119011  96.532155658846
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Si  5.410661084208  2.728597240526  2.730625317790  0.308788591022  -0.178140924797  -0.236117966082  -0.001803056088  0.001388642142  0.001562383834
  1  Si  1.376033501835  1.343419511100  1.341391433836  -0.308788591022  0.178140924797  0.236117966082  0.001803056088  -0.001388642142  -0.001562383834


MDSTEP:  18
LATTICE_CONSTANT: 5.429356020000 Angstrom
LATTICE_VECTORS
  0.000000000000  0.500000000000  0.500000000000
  0.500000000000  0.000000000000  0.500000000000
  0.500000000000  0.500000000000  0.000000000000
VIRIAL (kbar)
  95.975697214206  20.480483007789  17.491079674206
  20.480483007789  96.394188053473  -24.533881835550
  17.491079674206  -24.533881835550  96.231280079593
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Si  5.409774363926  2.729282719881  2.731395029182  0.315271165789  -0.179838404487  -0.239962158642  -0.001743486792  0.001353280428  0.001516311767
  1  Si  1.376920222117  1.342734031745  1.340621722444  -0.315271165789  0.179838404487  0.239962158642  0.001743486792  -0.001353280428  -0.001516311767


MDSTEP:  19
LATTICE_CONSTANT: 5.429356020000 Angstrom
LATTICE_VECTORS
  0.000000000000  0.500000000000  0.500000000000
  0.500000000000  0.000000000000  0.500000000000
  0.500000000000  0.500000000000  0.000000000000
VIRIAL (kbar)
  95.634240833924  21.497848071020  18.352133582529
  21.497848071020  96.141181374981  -25.766190585840
  18.352133582529  -25.766190585840  95.943539787183
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Si  5.408917658302  2.729950473694  2.732141576604  0.320647682039  -0.180849595214  -0.242927648664  -0.001683098806  0.001317803738  0.001469808883
  1  Si  1.377776927741  1.342066277932  1.339875175022  -0.320647682039  0.180849595214  0.242927648664  0.001683098806  -0.001317803738  -0.001469808883


MDSTEP:  20
LATTICE_CONSTANT: 5.429356020000 Angstrom
LATTICE_VECTORS
  0.000000000000  0.500000000000  0.500000000000
  0.500000000000  0.000000000000  0.500000000000
  0.500000000000  0.500000000000  0.000000000000
VIRIAL (kbar)
  95.283397932920  22.469588530359  19.174067100455
  22.469588530359  95.880721091458  -26.944655803242
  19.174067100455  -26.944655803242  95.647451656985
INDEX    LABEL    POSITION (Angstrom)    FORCE (eV/Angstrom)    VELOCITY (Angstrom/fs)
  0  Si  5.408091318770  2.730600481614  2.732864791213  0.325331353638  -0.181553517058  -0.245415085405  -0.001622086452  0.001282326989  0.001423025617
  1  Si  1.378603267273  1.341416270012  1.339151960413  -0.325331353638  0.181553517058  0.245415085405  0.001622086452  -0.001282326989  -0.001423025617


