36
Step =   1   Forces - Min =   0.000159 36 3    Min =   0.004504  4 3
Si   -0.179203   2.214721   3.869683    0.315251  -0.456801  -0.733656
Si   -0.197435   2.216183   0.000000    0.310302  -0.571469   0.000000
Si   -0.179203   2.214721  -3.869683    0.315251  -0.456801   0.733656
Si    0.229446   1.122407   5.782751   -0.375349   0.108662   0.900860
Si    0.211431   1.127416   1.927601   -0.162333   0.042114   0.455498
Si    0.211431   1.127416  -1.927601   -0.162333   0.042114  -0.455498
Si   -0.229446  -1.122407   5.782751    0.375349  -0.108662   0.900860
Si   -0.211431  -1.127416   1.927601    0.162333  -0.042114   0.455498
Si   -0.211431  -1.127416  -1.927601    0.162333  -0.042114  -0.455498
Si    0.179203  -2.214721   3.869683   -0.315251   0.456801  -0.733656
Si    0.197435  -2.216183   0.000000   -0.310302   0.571469   0.000000
Si    0.179203  -2.214721  -3.869683   -0.315251   0.456801   0.733656
Si   -0.229446  -1.122407  -5.782751    0.375349  -0.108662  -0.900860
Si    0.229446   1.122407  -5.782751   -0.375349   0.108662  -0.900860
Si   -0.121790   2.225610   7.739100    0.396899  -0.222443  -0.694820
Si    0.121790  -2.225610   7.739100   -0.396899   0.222443  -0.694820
Si   -0.121790   2.225610  -7.739100    0.396899  -0.222443   0.694820
Si    0.121790  -2.225610  -7.739100   -0.396899   0.222443   0.694820
Si    0.241482   1.104960   9.609251   -0.507442   0.252451   0.571917
Si   -0.241482  -1.104960   9.609251    0.507442  -0.252451   0.571917
Si    0.241482   1.104960  -9.609251   -0.507442   0.252451  -0.571917
Si   -0.241482  -1.104960  -9.609251    0.507442  -0.252451  -0.571917
H    0.208621   3.681042   7.731133   -0.136290   0.132871  -0.064398
H   -0.208621  -3.681042   7.731133    0.136290  -0.132871  -0.064398
H    0.208621   3.681042  -7.731133   -0.136290   0.132871   0.064398
H   -0.208621  -3.681042  -7.731133    0.136290  -0.132871   0.064398
H    0.073782   1.821564  10.907262   -0.040302  -0.080238  -0.189378
H   -0.073782  -1.821564  10.907262    0.040302   0.080238  -0.189378
H    0.073782   1.821564 -10.907262   -0.040302  -0.080238   0.189378
H   -0.073782  -1.821564 -10.907262    0.040302   0.080238   0.189378
H   -0.159829  -3.669809   3.866961    0.094333  -0.296843  -0.031743
H   -0.134464  -3.672975   0.000000    0.081262  -0.375385   0.000000
H   -0.159829  -3.669809  -3.866961    0.094333  -0.296843   0.031743
H    0.159829   3.669809   3.866961   -0.094333   0.296843  -0.031743
H    0.134464   3.672975   0.000000   -0.081262   0.375385   0.000000
H    0.159829   3.669809  -3.866961   -0.094333   0.296843   0.031743
36
Step =   2   Forces - Min =  -0.000006 36 3    Min =   0.001700 11 2
Si    2.213337   0.159504   3.868969    0.006124  -0.283435  -0.274914
Si    2.213989   0.154847   0.000000   -0.020245  -0.340091   0.000000
Si    2.213337   0.159504  -3.868969    0.006124  -0.283435   0.274914
Si    1.121891  -0.225583   5.798321   -0.134158   0.156112   0.291132
Si    1.122246  -0.231767   1.934566    0.052738   0.109644   0.158325
Si    1.122246  -0.231767  -1.934566    0.052738   0.109644  -0.158325
Si   -1.121891   0.225583   5.798321    0.134158  -0.156112   0.291132
Si   -1.122246   0.231767   1.934566   -0.052738  -0.109644   0.158325
Si   -1.122246   0.231767  -1.934566   -0.052738  -0.109644  -0.158325
Si   -2.213337  -0.159504   3.868969   -0.006124   0.283435  -0.274914
Si   -2.213989  -0.154847   0.000000    0.020245   0.340091   0.000000
Si   -2.213337  -0.159504  -3.868969   -0.006124   0.283435   0.274914
Si   -1.121891   0.225583  -5.798321    0.134158  -0.156112  -0.291132
Si    1.121891  -0.225583  -5.798321   -0.134158   0.156112  -0.291132
Si    2.227852   0.145927   7.741707    0.082103  -0.157671  -0.208868
Si   -2.227852  -0.145927   7.741707   -0.082103   0.157671  -0.208868
Si    2.227852   0.145927  -7.741707    0.082103  -0.157671   0.208868
Si   -2.227852  -0.145927  -7.741707   -0.082103   0.157671   0.208868
Si    1.108729  -0.215045   9.621813   -0.286814   0.180305   0.060664
Si   -1.108729   0.215045   9.621813    0.286814  -0.180305   0.060664
Si    1.108729  -0.215045  -9.621813   -0.286814   0.180305  -0.060664
Si   -1.108729   0.215045  -9.621813    0.286814  -0.180305  -0.060664
H    3.687181  -0.154624   7.727553   -0.003098   0.057892  -0.013955
H   -3.687181   0.154624   7.727553    0.003098  -0.057892  -0.013955
H    3.687181  -0.154624  -7.727553   -0.003098   0.057892   0.013955
H   -3.687181   0.154624  -7.727553    0.003098  -0.057892   0.013955
H    1.825032  -0.040289  10.915684    0.022855  -0.031132  -0.020287
H   -1.825032   0.040289  10.915684   -0.022855   0.031132  -0.020287
H    1.825032  -0.040289 -10.915684    0.022855  -0.031132   0.020287
H   -1.825032   0.040289 -10.915684   -0.022855   0.031132   0.020287
H   -3.675669   0.134641   3.862498   -0.002545  -0.130211   0.001119
H   -3.678850   0.126523   0.000000   -0.003752  -0.170401   0.000000
H   -3.675669   0.134641  -3.862498   -0.002545  -0.130211  -0.001119
H    3.675669  -0.134641   3.862498    0.002545   0.130211   0.001119
H    3.678850  -0.126523   0.000000    0.003752   0.170401   0.000000
H    3.675669  -0.134641  -3.862498    0.002545   0.130211  -0.001119
36
Step =   3   Forces - Min =  -0.000098 36 3    Min =   0.000709  4 2
Si    2.212488   0.139517   3.864744   -0.063199  -0.111395   0.052622
Si    2.211774   0.114564   0.000000   -0.097449  -0.112690   0.000000
Si    2.212488   0.139517  -3.864744   -0.063199  -0.111395  -0.052622
Si    1.121781  -0.218630   5.804423    0.019005   0.141858  -0.091596
Si    1.118496  -0.247468   1.937970    0.075063   0.130438  -0.046269
Si    1.118496  -0.247468  -1.937970    0.075063   0.130438   0.046269
Si   -1.121781   0.218630   5.804423   -0.019005  -0.141858  -0.091596
Si   -1.118496   0.247468   1.937970   -0.075063  -0.130438  -0.046269
Si   -1.118496   0.247468  -1.937970   -0.075063  -0.130438   0.046269
Si   -2.212488  -0.139517   3.864744    0.063199   0.111395   0.052622
Si   -2.211774  -0.114564   0.000000    0.097449   0.112690   0.000000
Si   -2.212488  -0.139517  -3.864744    0.063199   0.111395  -0.052622
Si   -1.121781   0.218630  -5.804423   -0.019005  -0.141858   0.091596
Si    1.121781  -0.218630  -5.804423    0.019005   0.141858   0.091596
Si    2.229938   0.166732   7.737005   -0.008419  -0.097596   0.076685
Si   -2.229938  -0.166732   7.737005    0.008419   0.097596   0.076685
Si    2.229938   0.166732  -7.737005   -0.008419  -0.097596  -0.076685
Si   -2.229938  -0.166732  -7.737005    0.008419   0.097596  -0.076685
Si    1.110991  -0.188756   9.621427   -0.002156   0.095052  -0.092931
Si   -1.110991   0.188756   9.621427    0.002156  -0.095052  -0.092931
Si    1.110991  -0.188756  -9.621427   -0.002156   0.095052   0.092931
Si   -1.110991   0.188756  -9.621427    0.002156  -0.095052   0.092931
H    3.694223  -0.105376   7.720175    0.002344   0.019703   0.015048
H   -3.694223   0.105376   7.720175   -0.002344  -0.019703   0.015048
H    3.694223  -0.105376  -7.720175    0.002344   0.019703  -0.015048
H   -3.694223   0.105376  -7.720175   -0.002344  -0.019703  -0.015048
H    1.827299  -0.007849  10.913894    0.001820  -0.012082   0.005679
H   -1.827299   0.007849  10.913894   -0.001820   0.012082   0.005679
H    1.827299  -0.007849 -10.913894    0.001820  -0.012082  -0.005679
H   -1.827299   0.007849 -10.913894   -0.001820   0.012082  -0.005679
H   -3.681225   0.116000   3.857158   -0.002851  -0.015168   0.019684
H   -3.683503   0.122309   0.000000   -0.004805  -0.018380   0.000000
H   -3.681225   0.116000  -3.857158   -0.002851  -0.015168  -0.019684
H    3.681225  -0.116000   3.857158    0.002851   0.015168   0.019684
H    3.683503  -0.122309   0.000000    0.004805   0.018380   0.000000
H    3.681225  -0.116000  -3.857158    0.002851   0.015168  -0.019684
36
Step =   4   Forces - Min =  -0.000054 36 3    Min =   0.000513  5 2
Si    2.213228   0.132854   3.864543   -0.048118  -0.050600   0.059260
Si    2.211616   0.105115   0.000000   -0.055594  -0.038163   0.000000
Si    2.213228   0.132854  -3.864543   -0.048118  -0.050600  -0.059260
Si    1.122426  -0.212729   5.804698    0.029013   0.100197  -0.073876
Si    1.118808  -0.246167   1.938140    0.021427   0.102587  -0.037655
Si    1.118808  -0.246167  -1.938140    0.021427   0.102587   0.037655
Si   -1.122426   0.212729   5.804698   -0.029013  -0.100197  -0.073876
Si   -1.118808   0.246167   1.938140   -0.021427  -0.102587  -0.037655
Si   -1.118808   0.246167  -1.938140   -0.021427  -0.102587   0.037655
Si   -2.213228  -0.132854   3.864543    0.048118   0.050600   0.059260
Si   -2.211616  -0.105115   0.000000    0.055594   0.038163   0.000000
Si   -2.213228  -0.132854  -3.864543    0.048118   0.050600  -0.059260
Si   -1.122426   0.212729  -5.804698   -0.029013  -0.100197   0.073876
Si    1.122426  -0.212729  -5.804698    0.029013   0.100197   0.073876
Si    2.231865   0.168234   7.736554   -0.029408  -0.064431   0.058854
Si   -2.231865  -0.168234   7.736554    0.029408   0.064431   0.058854
Si    2.231865   0.168234  -7.736554   -0.029408  -0.064431  -0.058854
Si   -2.231865  -0.168234  -7.736554    0.029408   0.064431  -0.058854
Si    1.111542  -0.180426   9.619871    0.044772   0.052406  -0.062981
Si   -1.111542   0.180426   9.619871   -0.044772  -0.052406  -0.062981
Si    1.111542  -0.180426  -9.619871    0.044772   0.052406   0.062981
Si   -1.111542   0.180426  -9.619871   -0.044772  -0.052406   0.062981
H    3.697421  -0.095419   7.721148    0.003417   0.009594   0.007479
H   -3.697421   0.095419   7.721148   -0.003417  -0.009594   0.007479
H    3.697421  -0.095419  -7.721148    0.003417   0.009594  -0.007479
H   -3.697421   0.095419  -7.721148   -0.003417  -0.009594  -0.007479
H    1.827046  -0.000874  10.912778   -0.003723  -0.008296   0.009841
H   -1.827046   0.000874  10.912778    0.003723   0.008296   0.009841
H    1.827046  -0.000874 -10.912778   -0.003723  -0.008296  -0.009841
H   -1.827046   0.000874 -10.912778    0.003723   0.008296  -0.009841
H   -3.683246   0.113654   3.859108   -0.000276   0.005237   0.010782
H   -3.684940   0.120029   0.000000   -0.000224   0.011987   0.000000
H   -3.683246   0.113654  -3.859108   -0.000276   0.005237  -0.010782
H    3.683246  -0.113654   3.859108    0.000276  -0.005237   0.010782
H    3.684940  -0.120029   0.000000    0.000224  -0.011987   0.000000
H    3.683246  -0.113654  -3.859108    0.000276  -0.005237  -0.010782
36
Step =   5   Forces - Min =   0.000034 36 3    Min =   0.000150  5 2
Si    2.214123   0.127800   3.866587   -0.008916  -0.002918  -0.003043
Si    2.211884   0.101803   0.000000    0.009335   0.008478   0.000000
Si    2.214123   0.127800  -3.866587   -0.008916  -0.002918   0.003043
Si    1.123376  -0.203546   5.805544    0.012807   0.022664   0.016312
Si    1.120171  -0.236960   1.938299   -0.014927   0.029993   0.009067
Si    1.120171  -0.236960  -1.938299   -0.014927   0.029993  -0.009067
Si   -1.123376   0.203546   5.805544   -0.012807  -0.022664   0.016312
Si   -1.120171   0.236960   1.938299    0.014927  -0.029993   0.009067
Si   -1.120171   0.236960  -1.938299    0.014927  -0.029993  -0.009067
Si   -2.214123  -0.127800   3.866587    0.008916   0.002918  -0.003043
Si   -2.211884  -0.101803   0.000000   -0.009335  -0.008478   0.000000
Si   -2.214123  -0.127800  -3.866587    0.008916   0.002918   0.003043
Si   -1.123376   0.203546  -5.805544   -0.012807  -0.022664  -0.016312
Si    1.123376  -0.203546  -5.805544    0.012807   0.022664  -0.016312
Si    2.234282   0.162489   7.738940   -0.025382  -0.018534  -0.006911
Si   -2.234282  -0.162489   7.738940    0.025382   0.018534  -0.006911
Si    2.234282   0.162489  -7.738940   -0.025382  -0.018534   0.006911
Si   -2.234282  -0.162489  -7.738940    0.025382   0.018534   0.006911
Si    1.112091  -0.174116   9.620298    0.021583   0.006025   0.007867
Si   -1.112091   0.174116   9.620298   -0.021583  -0.006025   0.007867
Si    1.112091  -0.174116  -9.620298    0.021583   0.006025  -0.007867
Si   -1.112091   0.174116  -9.620298   -0.021583  -0.006025  -0.007867
H    3.700768  -0.094328   7.725287   -0.000086   0.003070  -0.007185
H   -3.700768   0.094328   7.725287    0.000086  -0.003070  -0.007185
H    3.700768  -0.094328  -7.725287   -0.000086   0.003070   0.007185
H   -3.700768   0.094328  -7.725287    0.000086  -0.003070   0.007185
H    1.826201  -0.000690  10.914695   -0.005112  -0.004093   0.000767
H   -1.826201   0.000690  10.914695    0.005112   0.004093   0.000767
H    1.826201  -0.000690 -10.914695   -0.005112  -0.004093  -0.000767
H   -1.826201   0.000690 -10.914695    0.005112   0.004093  -0.000767
H   -3.684515   0.114696   3.864395    0.000010   0.004519  -0.006802
H   -3.685613   0.118994   0.000000    0.000810   0.012591   0.000000
H   -3.684515   0.114696  -3.864395    0.000010   0.004519   0.006802
H    3.684515  -0.114696   3.864395   -0.000010  -0.004519  -0.006802
H    3.685613  -0.118994   0.000000   -0.000810  -0.012591   0.000000
H    3.684515  -0.114696  -3.864395   -0.000010  -0.004519   0.006802
36
Step =   6   Forces - Min =   0.000025 36 3    Min =   0.000051 16 1
Si    2.214034   0.128129   3.867651   -0.000943  -0.001104   0.001225
Si    2.212333   0.103728   0.000000    0.006267   0.000638   0.000000
Si    2.214034   0.128129  -3.867651   -0.000943  -0.001104  -0.001225
Si    1.123522  -0.201103   5.806862    0.007966  -0.000696   0.000113
Si    1.120615  -0.232516   1.938675    0.002813   0.000988  -0.000113
Si    1.120615  -0.232516  -1.938675    0.002813   0.000988   0.000113
Si   -1.123522   0.201103   5.806862   -0.007966   0.000696   0.000113
Si   -1.120615   0.232516   1.938675   -0.002813  -0.000988  -0.000113
Si   -1.120615   0.232516  -1.938675   -0.002813  -0.000988   0.000113
Si   -2.214034  -0.128129   3.867651    0.000943   0.001104   0.001225
Si   -2.212333  -0.103728   0.000000   -0.006267  -0.000638   0.000000
Si   -2.214034  -0.128129  -3.867651    0.000943   0.001104  -0.001225
Si   -1.123522   0.201103  -5.806862   -0.007966   0.000696  -0.000113
Si    1.123522  -0.201103  -5.806862    0.007966  -0.000696  -0.000113
Si    2.234179   0.158497   7.740863   -0.010202  -0.002434   0.004453
Si   -2.234179  -0.158497   7.740863    0.010202   0.002434   0.004453
Si    2.234179   0.158497  -7.740863   -0.010202  -0.002434  -0.004453
Si   -2.234179  -0.158497  -7.740863    0.010202   0.002434  -0.004453
Si    1.112077  -0.174443   9.622591   -0.001837  -0.000790   0.001443
Si   -1.112077   0.174443   9.622591    0.001837   0.000790   0.001443
Si    1.112077  -0.174443  -9.622591   -0.001837  -0.000790  -0.001443
Si   -1.112077   0.174443  -9.622591    0.001837   0.000790  -0.001443
H    3.700796  -0.097006   7.726175    0.000357   0.000690  -0.003910
H   -3.700796   0.097006   7.726175   -0.000357  -0.000690  -0.003910
H    3.700796  -0.097006  -7.726175    0.000357   0.000690   0.003910
H   -3.700796   0.097006  -7.726175   -0.000357  -0.000690   0.003910
H    1.826011  -0.004131  10.917377    0.001511  -0.000434  -0.000451
H   -1.826011   0.004131  10.917377   -0.001511   0.000434  -0.000451
H    1.826011  -0.004131 -10.917377    0.001511  -0.000434   0.000451
H   -1.826011   0.004131 -10.917377   -0.001511   0.000434   0.000451
H   -3.684384   0.114312   3.864916    0.000324  -0.000594  -0.004978
H   -3.685623   0.119792   0.000000    0.000521   0.000835   0.000000
H   -3.684384   0.114312  -3.864916    0.000324  -0.000594   0.004978
H    3.684384  -0.114312   3.864916   -0.000324   0.000594  -0.004978
H    3.685623  -0.119792   0.000000   -0.000521  -0.000835   0.000000
H    3.684384  -0.114312  -3.864916   -0.000324   0.000594   0.004978
36
Step =   7   Forces - Min =   0.000009 36 3    Min =   0.000018  1 3
Si    2.214022   0.128584   3.867532   -0.000423  -0.001167   0.003646
Si    2.212637   0.104620   0.000000    0.002932  -0.001008   0.000000
Si    2.214022   0.128584  -3.867532   -0.000423  -0.001167  -0.003646
Si    1.123538  -0.201152   5.806734    0.002984  -0.000226  -0.003305
Si    1.120767  -0.231946   1.938533   -0.002065   0.000475  -0.001984
Si    1.120767  -0.231946  -1.938533   -0.002065   0.000475   0.001984
Si   -1.123538   0.201152   5.806734   -0.002984   0.000226  -0.003305
Si   -1.120767   0.231946   1.938533    0.002065  -0.000475  -0.001984
Si   -1.120767   0.231946  -1.938533    0.002065  -0.000475   0.001984
Si   -2.214022  -0.128584   3.867532    0.000423   0.001167   0.003646
Si   -2.212637  -0.104620   0.000000   -0.002932   0.001008   0.000000
Si   -2.214022  -0.128584  -3.867532    0.000423   0.001167  -0.003646
Si   -1.123538   0.201152  -5.806734   -0.002984   0.000226   0.003305
Si    1.123538  -0.201152  -5.806734    0.002984  -0.000226   0.003305
Si    2.233810   0.157694   7.741003   -0.003331  -0.000425   0.002938
Si   -2.233810  -0.157694   7.741003    0.003331   0.000425   0.002938
Si    2.233810   0.157694  -7.741003   -0.003331  -0.000425  -0.002938
Si   -2.233810  -0.157694  -7.741003    0.003331   0.000425  -0.002938
Si    1.111940  -0.175108   9.622878    0.000050  -0.000385   0.001638
Si   -1.111940   0.175108   9.622878   -0.000050   0.000385   0.001638
Si    1.111940  -0.175108  -9.622878    0.000050  -0.000385  -0.001638
Si   -1.111940   0.175108  -9.622878   -0.000050   0.000385  -0.001638
H    3.700454  -0.097661   7.725819    0.000042   0.000019  -0.001179
H   -3.700454   0.097661   7.725819   -0.000042  -0.000019  -0.001179
H    3.700454  -0.097661  -7.725819    0.000042   0.000019   0.001179
H   -3.700454   0.097661  -7.725819   -0.000042  -0.000019   0.001179
H    1.826187  -0.005150  10.917543    0.001345  -0.000132  -0.001319
H   -1.826187   0.005150  10.917543   -0.001345   0.000132  -0.001319
H    1.826187  -0.005150 -10.917543    0.001345  -0.000132   0.001319
H   -1.826187   0.005150 -10.917543   -0.001345   0.000132   0.001319
H   -3.684430   0.113448   3.864183   -0.000334  -0.000362  -0.001869
H   -3.685887   0.119109   0.000000   -0.000101  -0.000466   0.000000
H   -3.684430   0.113448  -3.864183   -0.000334  -0.000362   0.001869
H    3.684430  -0.113448   3.864183    0.000334   0.000362  -0.001869
H    3.685887  -0.119109   0.000000    0.000101   0.000466   0.000000
H    3.684430  -0.113448  -3.864183    0.000334   0.000362   0.001869
36
Step =   8   Forces - Min =   0.000000 36 3    Min =   0.000012  8 1
Si    2.214024   0.128732   3.867459    0.000458  -0.000648   0.001870
Si    2.212831   0.105040   0.000000    0.001223  -0.000806   0.000000
Si    2.214024   0.128732  -3.867459    0.000458  -0.000648  -0.001870
Si    1.123546  -0.201183   5.806601    0.000160   0.000270  -0.001596
Si    1.120828  -0.231666   1.938410   -0.002489   0.000358  -0.000635
Si    1.120828  -0.231666  -1.938410   -0.002489   0.000358   0.000635
Si   -1.123546   0.201183   5.806601   -0.000160  -0.000270  -0.001596
Si   -1.120828   0.231666   1.938410    0.002489  -0.000358  -0.000635
Si   -1.120828   0.231666  -1.938410    0.002489  -0.000358   0.000635
Si   -2.214024  -0.128732   3.867459   -0.000458   0.000648   0.001870
Si   -2.212831  -0.105040   0.000000   -0.001223   0.000806   0.000000
Si   -2.214024  -0.128732  -3.867459   -0.000458   0.000648  -0.001870
Si   -1.123546   0.201183  -5.806601   -0.000160  -0.000270   0.001596
Si    1.123546  -0.201183  -5.806601    0.000160   0.000270   0.001596
Si    2.233565   0.157324   7.741075   -0.000313   0.000381  -0.000270
Si   -2.233565  -0.157324   7.741075    0.000313  -0.000381  -0.000270
Si    2.233565   0.157324  -7.741075   -0.000313   0.000381   0.000270
Si   -2.233565  -0.157324  -7.741075    0.000313  -0.000381   0.000270
Si    1.111889  -0.175393   9.623057    0.000120  -0.000453   0.000727
Si   -1.111889   0.175393   9.623057   -0.000120   0.000453   0.000727
Si    1.111889  -0.175393  -9.623057    0.000120  -0.000453  -0.000727
Si   -1.111889   0.175393  -9.623057   -0.000120   0.000453  -0.000727
H    3.700235  -0.097877   7.725627   -0.000176  -0.000347   0.000383
H   -3.700235   0.097877   7.725627    0.000176   0.000347   0.000383
H    3.700235  -0.097877  -7.725627   -0.000176  -0.000347  -0.000383
H   -3.700235   0.097877  -7.725627    0.000176   0.000347  -0.000383
H    1.826444  -0.005535  10.917553    0.001059   0.000146  -0.000343
H   -1.826444   0.005535  10.917553   -0.001059  -0.000146  -0.000343
H    1.826444  -0.005535 -10.917553    0.001059   0.000146   0.000343
H   -1.826444   0.005535 -10.917553   -0.001059  -0.000146   0.000343
H   -3.684493   0.112942   3.863743    0.000248  -0.000026  -0.000094
H   -3.686109   0.118494   0.000000   -0.000035  -0.000365   0.000000
H   -3.684493   0.112942  -3.863743    0.000248  -0.000026   0.000094
H    3.684493  -0.112942   3.863743   -0.000248   0.000026  -0.000094
H    3.686109  -0.118494   0.000000    0.000035   0.000365   0.000000
H    3.684493  -0.112942  -3.863743   -0.000248   0.000026   0.000094
36
Step =   9   Forces - Min =  -0.000001 36 3    Min =   0.000005 19 3
Si    2.214029   0.128672   3.867460    0.000072  -0.000176  -0.000338
Si    2.212877   0.105006   0.000000   -0.000009  -0.000450   0.000000
Si    2.214029   0.128672  -3.867460    0.000072  -0.000176   0.000338
Si    1.123542  -0.201176   5.806568   -0.000130   0.000007  -0.000200
Si    1.120816  -0.231651   1.938387   -0.000397   0.000376  -0.000240
Si    1.120816  -0.231651  -1.938387   -0.000397   0.000376   0.000240
Si   -1.123542   0.201176   5.806568    0.000130  -0.000007  -0.000200
Si   -1.120816   0.231651   1.938387    0.000397  -0.000376  -0.000240
Si   -1.120816   0.231651  -1.938387    0.000397  -0.000376   0.000240
Si   -2.214029  -0.128672   3.867460   -0.000072   0.000176  -0.000338
Si   -2.212877  -0.105006   0.000000    0.000009   0.000450   0.000000
Si   -2.214029  -0.128672  -3.867460   -0.000072   0.000176   0.000338
Si   -1.123542   0.201176  -5.806568    0.000130  -0.000007   0.000200
Si    1.123542  -0.201176  -5.806568   -0.000130   0.000007   0.000200
Si    2.233490   0.157355   7.741083   -0.000228   0.000418  -0.000561
Si   -2.233490  -0.157355   7.741083    0.000228  -0.000418  -0.000561
Si    2.233490   0.157355  -7.741083   -0.000228   0.000418   0.000561
Si   -2.233490  -0.157355  -7.741083    0.000228  -0.000418   0.000561
Si    1.111903  -0.175364   9.623117   -0.000372  -0.000292   0.000991
Si   -1.111903   0.175364   9.623117    0.000372   0.000292   0.000991
Si    1.111903  -0.175364  -9.623117   -0.000372  -0.000292  -0.000991
Si   -1.111903   0.175364  -9.623117    0.000372   0.000292  -0.000991
H    3.700162  -0.097810   7.725639    0.000294  -0.000397   0.000370
H   -3.700162   0.097810   7.725639   -0.000294   0.000397   0.000370
H    3.700162  -0.097810  -7.725639    0.000294  -0.000397  -0.000370
H   -3.700162   0.097810  -7.725639   -0.000294   0.000397  -0.000370
H    1.826613  -0.005414  10.917523    0.000212  -0.000000  -0.000498
H   -1.826613   0.005414  10.917523   -0.000212   0.000000  -0.000498
H    1.826613  -0.005414 -10.917523    0.000212  -0.000000   0.000498
H   -1.826613   0.005414 -10.917523   -0.000212   0.000000   0.000498
H   -3.684502   0.112930   3.863690   -0.000137   0.000193   0.000139
H   -3.686176   0.118376   0.000000    0.000266   0.000004   0.000000
H   -3.684502   0.112930  -3.863690   -0.000137   0.000193  -0.000139
H    3.684502  -0.112930   3.863690    0.000137  -0.000193   0.000139
H    3.686176  -0.118376   0.000000   -0.000266  -0.000004   0.000000
H    3.684502  -0.112930  -3.863690    0.000137  -0.000193  -0.000139
36
Step =  10   Forces - Min =  -0.000001 36 3    Min =   0.000003 17 3
Si    2.214037   0.128650   3.867450   -0.000002  -0.000122  -0.000662
Si    2.212888   0.105004   0.000000   -0.000489  -0.000247   0.000000
Si    2.214037   0.128650  -3.867450   -0.000002  -0.000122   0.000662
Si    1.123541  -0.201176   5.806548   -0.000072  -0.000024   0.000276
Si    1.120811  -0.231639   1.938374    0.000326   0.000276   0.000206
Si    1.120811  -0.231639  -1.938374    0.000326   0.000276  -0.000206
Si   -1.123541   0.201176   5.806548    0.000072   0.000024   0.000276
Si   -1.120811   0.231639   1.938374   -0.000326  -0.000276   0.000206
Si   -1.120811   0.231639  -1.938374   -0.000326  -0.000276  -0.000206
Si   -2.214037  -0.128650   3.867450    0.000002   0.000122  -0.000662
Si   -2.212888  -0.105004   0.000000    0.000489   0.000247   0.000000
Si   -2.214037  -0.128650  -3.867450    0.000002   0.000122   0.000662
Si   -1.123541   0.201176  -5.806548    0.000072   0.000024  -0.000276
Si    1.123541  -0.201176  -5.806548   -0.000072  -0.000024  -0.000276
Si    2.233457   0.157371   7.741089    0.000054   0.000152  -0.000673
Si   -2.233457  -0.157371   7.741089   -0.000054  -0.000152  -0.000673
Si    2.233457   0.157371  -7.741089    0.000054   0.000152   0.000673
Si   -2.233457  -0.157371  -7.741089   -0.000054  -0.000152   0.000673
Si    1.111904  -0.175365   9.623149   -0.000321  -0.000268   0.000352
Si   -1.111904   0.175365   9.623149    0.000321   0.000268   0.000352
Si    1.111904  -0.175365  -9.623149   -0.000321  -0.000268  -0.000352
Si   -1.111904   0.175365  -9.623149    0.000321   0.000268  -0.000352
H    3.700130  -0.097824   7.725672    0.000007  -0.000242   0.000243
H   -3.700130   0.097824   7.725672   -0.000007   0.000242   0.000243
H    3.700130  -0.097824  -7.725672    0.000007  -0.000242  -0.000243
H   -3.700130   0.097824  -7.725672   -0.000007   0.000242  -0.000243
H    1.826688  -0.005370  10.917502    0.000105  -0.000008  -0.000004
H   -1.826688   0.005370  10.917502   -0.000105   0.000008  -0.000004
H    1.826688  -0.005370 -10.917502    0.000105  -0.000008   0.000004
H   -1.826688   0.005370 -10.917502   -0.000105   0.000008   0.000004
H   -3.684512   0.112946   3.863669    0.000012   0.000179   0.000146
H   -3.686190   0.118318   0.000000   -0.000004   0.000184   0.000000
H   -3.684512   0.112946  -3.863669    0.000012   0.000179  -0.000146
H    3.684512  -0.112946   3.863669   -0.000012  -0.000179   0.000146
H    3.686190  -0.118318   0.000000    0.000004  -0.000184   0.000000
H    3.684512  -0.112946  -3.863669   -0.000012  -0.000179  -0.000146
36
Step =  11   Forces - Min =  -0.000000 36 3    Min =   0.000002  5 1
Si    2.214044   0.128639   3.867443    0.000042  -0.000094  -0.000143
Si    2.212879   0.104982   0.000000   -0.000178  -0.000142   0.000000
Si    2.214044   0.128639  -3.867443    0.000042  -0.000094   0.000143
Si    1.123541  -0.201170   5.806543    0.000064  -0.000129   0.000227
Si    1.120809  -0.231630   1.938375    0.000330   0.000032   0.000186
Si    1.120809  -0.231630  -1.938375    0.000330   0.000032  -0.000186
Si   -1.123541   0.201170   5.806543   -0.000064   0.000129   0.000227
Si   -1.120809   0.231630   1.938375   -0.000330  -0.000032   0.000186
Si   -1.120809   0.231630  -1.938375   -0.000330  -0.000032  -0.000186
Si   -2.214044  -0.128639   3.867443   -0.000042   0.000094  -0.000143
Si   -2.212879  -0.104982   0.000000    0.000178   0.000142   0.000000
Si   -2.214044  -0.128639  -3.867443   -0.000042   0.000094   0.000143
Si   -1.123541   0.201170  -5.806543   -0.000064   0.000129  -0.000227
Si    1.123541  -0.201170  -5.806543    0.000064  -0.000129  -0.000227
Si    2.233446   0.157392   7.741086   -0.000051  -0.000029  -0.000044
Si   -2.233446  -0.157392   7.741086    0.000051   0.000029  -0.000044
Si    2.233446   0.157392  -7.741086   -0.000051  -0.000029   0.000044
Si   -2.233446  -0.157392  -7.741086    0.000051   0.000029   0.000044
Si    1.111903  -0.175366   9.623161   -0.000121  -0.000120  -0.000012
Si   -1.111903   0.175366   9.623161    0.000121   0.000120  -0.000012
Si    1.111903  -0.175366  -9.623161   -0.000121  -0.000120   0.000012
Si   -1.111903   0.175366  -9.623161    0.000121   0.000120   0.000012
H    3.700115  -0.097839   7.725707   -0.000036  -0.000138   0.000014
H   -3.700115   0.097839   7.725707    0.000036   0.000138   0.000014
H    3.700115  -0.097839  -7.725707   -0.000036  -0.000138  -0.000014
H   -3.700115   0.097839  -7.725707    0.000036   0.000138  -0.000014
H    1.826718  -0.005341  10.917495   -0.000045  -0.000082  -0.000056
H   -1.826718   0.005341  10.917495    0.000045   0.000082  -0.000056
H    1.826718  -0.005341 -10.917495   -0.000045  -0.000082   0.000056
H   -1.826718   0.005341 -10.917495    0.000045   0.000082   0.000056
H   -3.684515   0.112977   3.863677   -0.000028   0.000145   0.000025
H   -3.686181   0.118338   0.000000   -0.000090   0.000190   0.000000
H   -3.684515   0.112977  -3.863677   -0.000028   0.000145  -0.000025
H    3.684515  -0.112977   3.863677    0.000028  -0.000145   0.000025
H    3.686181  -0.118338   0.000000    0.000090  -0.000190   0.000000
H    3.684515  -0.112977  -3.863677    0.000028  -0.000145  -0.000025
36
Step =  12   Forces - Min =  -0.000000 36 3    Min =   0.000002  3 3
Si    2.214044   0.128639   3.867443    0.000024  -0.000120  -0.000431
Si    2.212879   0.104982   0.000000   -0.000292  -0.000271   0.000000
Si    2.214044   0.128639  -3.867443    0.000024  -0.000120   0.000431
Si    1.123541  -0.201170   5.806543    0.000137  -0.000172   0.000213
Si    1.120809  -0.231630   1.938375    0.000334   0.000156   0.000010
Si    1.120809  -0.231630  -1.938375    0.000334   0.000156  -0.000010
Si   -1.123541   0.201170   5.806543   -0.000137   0.000172   0.000213
Si   -1.120809   0.231630   1.938375   -0.000334  -0.000156   0.000010
Si   -1.120809   0.231630  -1.938375   -0.000334  -0.000156  -0.000010
Si   -2.214044  -0.128639   3.867443   -0.000024   0.000120  -0.000431
Si   -2.212879  -0.104982   0.000000    0.000292   0.000271   0.000000
Si   -2.214044  -0.128639  -3.867443   -0.000024   0.000120   0.000431
Si   -1.123541   0.201170  -5.806543   -0.000137   0.000172  -0.000213
Si    1.123541  -0.201170  -5.806543    0.000137  -0.000172  -0.000213
Si    2.233446   0.157392   7.741086    0.000038  -0.000022  -0.000070
Si   -2.233446  -0.157392   7.741086   -0.000038   0.000022  -0.000070
Si    2.233446   0.157392  -7.741086    0.000038  -0.000022   0.000070
Si   -2.233446  -0.157392  -7.741086   -0.000038   0.000022   0.000070
Si    1.111903  -0.175366   9.623161   -0.000045  -0.000187  -0.000081
Si   -1.111903   0.175366   9.623161    0.000045   0.000187  -0.000081
Si    1.111903  -0.175366  -9.623161   -0.000045  -0.000187   0.000081
Si   -1.111903   0.175366  -9.623161    0.000045   0.000187   0.000081
H    3.700115  -0.097839   7.725707   -0.000042  -0.000142   0.000017
H   -3.700115   0.097839   7.725707    0.000042   0.000142   0.000017
H    3.700115  -0.097839  -7.725707   -0.000042  -0.000142  -0.000017
H   -3.700115   0.097839  -7.725707    0.000042   0.000142  -0.000017
H    1.826718  -0.005341  10.917495    0.000038  -0.000036   0.000109
H   -1.826718   0.005341  10.917495   -0.000038   0.000036   0.000109
H    1.826718  -0.005341 -10.917495    0.000038  -0.000036  -0.000109
H   -1.826718   0.005341 -10.917495   -0.000038   0.000036  -0.000109
H   -3.684515   0.112977   3.863677    0.000037   0.000132   0.000062
H   -3.686181   0.118338   0.000000    0.000162   0.000120   0.000000
H   -3.684515   0.112977  -3.863677    0.000037   0.000132  -0.000062
H    3.684515  -0.112977   3.863677   -0.000037  -0.000132   0.000062
H    3.686181  -0.118338   0.000000   -0.000162  -0.000120   0.000000
H    3.684515  -0.112977  -3.863677   -0.000037  -0.000132  -0.000062
