42
Step =   1   Forces - Min =   0.000842 42 3    Min =   0.003670  1 3
Si    0.234924   1.121781   7.712993    0.319752  -0.102390   0.733965
Si   -0.234924  -1.121781   7.712993   -0.319752   0.102390   0.733965
Si   -0.169955   2.216197   5.801618   -0.261716   0.362502  -0.670662
Si    0.169955  -2.216197   5.801618    0.261716  -0.362502  -0.670662
Si    0.214434   1.127625   3.857309    0.168571  -0.041541   0.585141
Si   -0.214434  -1.127625   3.857309   -0.168571   0.041541   0.585141
Si   -0.194714   2.217423   1.933260   -0.240291   0.508144  -0.306260
Si    0.194714  -2.217423   1.933260    0.240291  -0.508144  -0.306260
Si    0.208161   1.129541   0.000000    0.108079  -0.016963   0.000000
Si   -0.208161  -1.129541   0.000000   -0.108079   0.016963   0.000000
Si   -0.194714   2.217423  -1.933260   -0.240291   0.508144   0.306260
Si    0.194714  -2.217423  -1.933260    0.240291  -0.508144   0.306260
Si    0.214434   1.127625  -3.857309    0.168571  -0.041541  -0.585141
Si   -0.214434  -1.127625  -3.857309   -0.168571   0.041541  -0.585141
Si   -0.169955   2.216197  -5.801618   -0.261716   0.362502   0.670662
Si    0.169955  -2.216197  -5.801618    0.261716  -0.362502   0.670662
Si    0.234924   1.121781  -7.712993    0.319752  -0.102390  -0.733965
Si   -0.234924  -1.121781  -7.712993   -0.319752   0.102390  -0.733965
Si   -0.109075   2.226909   9.670158   -0.346337   0.175784  -0.514257
Si    0.109075  -2.226909   9.670158    0.346337  -0.175784  -0.514257
Si   -0.109075   2.226909  -9.670158   -0.346337   0.175784   0.514257
Si    0.109075  -2.226909  -9.670158    0.346337  -0.175784   0.514257
Si    0.248130   1.103813  11.539460    0.372341  -0.221327   0.432506
Si   -0.248130  -1.103813  11.539460   -0.372341   0.221327   0.432506
Si    0.248130   1.103813 -11.539460    0.372341  -0.221327  -0.432506
Si   -0.248130  -1.103813 -11.539460   -0.372341   0.221327  -0.432506
H   -0.140017  -3.673538  -1.931725   -0.074234   0.330046   0.014581
H   -0.140017  -3.673538   1.931725   -0.074234   0.330046  -0.014581
H   -0.176094  -3.669611   5.798165   -0.089970   0.231652  -0.044096
H    0.176094   3.669611   5.798165    0.089970  -0.231652  -0.044096
H    0.140017   3.673538   1.931725    0.074234  -0.330046  -0.014581
H    0.140017   3.673538  -1.931725    0.074234  -0.330046   0.014581
H    0.176094   3.669611  -5.798165    0.089970  -0.231652   0.044096
H   -0.176094  -3.669611  -5.798165   -0.089970   0.231652   0.044096
H    0.230051   3.680305   9.661827    0.123926  -0.102147  -0.065667
H   -0.230051  -3.680305   9.661827   -0.123926   0.102147  -0.065667
H    0.230051   3.680305  -9.661827    0.123926  -0.102147   0.065667
H   -0.230051  -3.680305  -9.661827   -0.123926   0.102147   0.065667
H    0.085798   1.820753  12.837944    0.036555   0.071912  -0.168374
H   -0.085798  -1.820753  12.837944   -0.036555  -0.071912  -0.168374
H    0.085798   1.820753 -12.837944    0.036555   0.071912   0.168374
H   -0.085798  -1.820753 -12.837944   -0.036555  -0.071912   0.168374
42
Step =   2   Forces - Min =   0.000073 42 3    Min =   0.001524  7 2
Si   -1.122775   0.225979   7.726092    0.139607  -0.135756   0.239474
Si    1.122775  -0.225979   7.726092   -0.139607   0.135756   0.239474
Si   -2.215578  -0.162273   5.801302   -0.013517   0.227276  -0.250983
Si    2.215578   0.162273   5.801302    0.013517  -0.227276  -0.250983
Si   -1.123936   0.228683   3.866472   -0.012780  -0.104218   0.208361
Si    1.123936  -0.228683   3.866472    0.012780   0.104218   0.208361
Si   -2.215943  -0.155953   1.932727    0.020275   0.304701  -0.123952
Si    2.215943   0.155953   1.932727   -0.020275  -0.304701  -0.123952
Si   -1.123832   0.232893   0.000000   -0.075133  -0.089613   0.000000
Si    1.123832  -0.232893   0.000000    0.075133   0.089613   0.000000
Si   -2.215943  -0.155953  -1.932727    0.020275   0.304701   0.123952
Si    2.215943   0.155953  -1.932727   -0.020275  -0.304701   0.123952
Si   -1.123936   0.228683  -3.866472   -0.012780  -0.104218  -0.208361
Si    1.123936  -0.228683  -3.866472    0.012780   0.104218  -0.208361
Si   -2.215578  -0.162273  -5.801302   -0.013517   0.227276   0.250983
Si    2.215578   0.162273  -5.801302    0.013517  -0.227276   0.250983
Si   -1.122775   0.225979  -7.726092    0.139607  -0.135756  -0.239474
Si    1.122775  -0.225979  -7.726092   -0.139607   0.135756  -0.239474
Si   -2.229424  -0.138564   9.672406   -0.077216   0.122172  -0.151182
Si    2.229424   0.138564   9.672406    0.077216  -0.122172  -0.151182
Si   -2.229424  -0.138564  -9.672406   -0.077216   0.122172   0.151182
Si    2.229424   0.138564  -9.672406    0.077216  -0.122172   0.151182
Si   -1.108276   0.221953  11.548551    0.234173  -0.154275   0.034717
Si    1.108276  -0.221953  11.548551   -0.234173   0.154275   0.034717
Si   -1.108276   0.221953 -11.548551    0.234173  -0.154275  -0.034717
Si    1.108276  -0.221953 -11.548551   -0.234173   0.154275  -0.034717
H    3.678951  -0.136004  -1.929556    0.003976   0.151099   0.000672
H    3.678951  -0.136004   1.929556    0.003976   0.151099  -0.000672
H    3.675256  -0.145971   5.793400    0.001951   0.101631  -0.007603
H   -3.675256   0.145971   5.793400   -0.001951  -0.101631  -0.007603
H   -3.678951   0.136004   1.929556   -0.003976  -0.151099  -0.000672
H   -3.678951   0.136004  -1.929556   -0.003976  -0.151099   0.000672
H   -3.675256   0.145971  -5.793400   -0.001951  -0.101631   0.007603
H    3.675256  -0.145971  -5.793400    0.001951   0.101631   0.007603
H   -3.686756   0.172732   9.658216    0.003078  -0.044495  -0.020036
H    3.686756  -0.172732   9.658216   -0.003078   0.044495  -0.020036
H   -3.686756   0.172732  -9.658216    0.003078  -0.044495   0.020036
H    3.686756  -0.172732  -9.658216   -0.003078   0.044495   0.020036
H   -1.824172   0.052826  12.843738   -0.016704   0.028301  -0.014552
H    1.824172  -0.052826  12.843738    0.016704  -0.028301  -0.014552
H   -1.824172   0.052826 -12.843738   -0.016704   0.028301   0.014552
H    1.824172  -0.052826 -12.843738    0.016704  -0.028301   0.014552
42
Step =   3   Forces - Min =  -0.000037 42 3    Min =   0.000613 10 2
Si   -1.123682   0.214523   7.730141   -0.003602  -0.118151  -0.081569
Si    1.123682  -0.214523   7.730141    0.003602   0.118151  -0.081569
Si   -2.215392  -0.153035   5.796409    0.043120   0.093207   0.056950
Si    2.215392   0.153035   5.796409   -0.043120  -0.093207   0.056950
Si   -1.121202   0.239566   3.870500   -0.055937  -0.121389  -0.062557
Si    1.121202  -0.239566   3.870500    0.055937   0.121389  -0.062557
Si   -2.214671  -0.117121   1.930637    0.074954   0.100829   0.021753
Si    2.214671   0.117121   1.930637   -0.074954  -0.100829   0.021753
Si   -1.119279   0.253689   0.000000   -0.075117  -0.122690   0.000000
Si    1.119279  -0.253689   0.000000    0.075117   0.122690   0.000000
Si   -2.214671  -0.117121  -1.930637    0.074954   0.100829  -0.021753
Si    2.214671   0.117121  -1.930637   -0.074954  -0.100829  -0.021753
Si   -1.121202   0.239566  -3.870500   -0.055937  -0.121389   0.062557
Si    1.121202  -0.239566  -3.870500    0.055937   0.121389   0.062557
Si   -2.215392  -0.153035  -5.796409    0.043120   0.093207  -0.056950
Si    2.215392   0.153035  -5.796409   -0.043120  -0.093207  -0.056950
Si   -1.123682   0.214523  -7.730141   -0.003602  -0.118151   0.081569
Si    1.123682  -0.214523  -7.730141    0.003602   0.118151   0.081569
Si   -2.231286  -0.166343   9.667113    0.006948   0.076250   0.065478
Si    2.231286   0.166343   9.667113   -0.006948  -0.076250   0.065478
Si   -2.231286  -0.166343  -9.667113    0.006948   0.076250  -0.065478
Si    2.231286   0.166343  -9.667113   -0.006948  -0.076250  -0.065478
Si   -1.111230   0.195076  11.546052    0.002796  -0.074665  -0.076101
Si    1.111230  -0.195076  11.546052   -0.002796   0.074665  -0.076101
Si   -1.111230   0.195076 -11.546052    0.002796  -0.074665   0.076101
Si    1.111230  -0.195076 -11.546052   -0.002796   0.074665   0.076101
H    3.683884  -0.136619  -1.926745    0.003193   0.014465  -0.007937
H    3.683884  -0.136619   1.926745    0.003193   0.014465   0.007937
H    3.681089  -0.121369   5.786456    0.001729   0.011862   0.016411
H   -3.681089   0.121369   5.786456   -0.001729  -0.011862   0.016411
H   -3.683884   0.136619   1.926745   -0.003193  -0.014465   0.007937
H   -3.683884   0.136619  -1.926745   -0.003193  -0.014465  -0.007937
H   -3.681089   0.121369  -5.786456   -0.001729  -0.011862  -0.016411
H    3.681089  -0.121369  -5.786456    0.001729   0.011862  -0.016411
H   -3.693840   0.116634   9.649630   -0.002447  -0.016295   0.009855
H    3.693840  -0.116634   9.649630    0.002447   0.016295   0.009855
H   -3.693840   0.116634  -9.649630   -0.002447  -0.016295  -0.009855
H    3.693840  -0.116634  -9.649630    0.002447   0.016295  -0.009855
H   -1.825976   0.019443  12.840550    0.002765   0.009337   0.007394
H    1.825976  -0.019443  12.840550   -0.002765  -0.009337   0.007394
H   -1.825976   0.019443 -12.840550    0.002765   0.009337  -0.007394
H    1.825976  -0.019443 -12.840550   -0.002765  -0.009337  -0.007394
42
Step =   4   Forces - Min =  -0.000047 42 3    Min =   0.000491 10 2
Si   -1.124212   0.208971   7.730247   -0.022872  -0.081581  -0.060451
Si    1.124212  -0.208971   7.730247    0.022872   0.081581  -0.060451
Si   -2.216206  -0.148736   5.796313    0.037710   0.048962   0.052948
Si    2.216206   0.148736   5.796313   -0.037710  -0.048962   0.052948
Si   -1.121544   0.237607   3.870624   -0.021392  -0.092830  -0.049106
Si    1.121544  -0.237607   3.870624    0.021392   0.092830  -0.049106
Si   -2.214981  -0.108668   1.930610    0.044926   0.040438   0.025031
Si    2.214981   0.108668   1.930610   -0.044926  -0.040438   0.025031
Si   -1.119543   0.252989   0.000000   -0.018181  -0.098136   0.000000
Si    1.119543  -0.252989   0.000000    0.018181   0.098136   0.000000
Si   -2.214981  -0.108668  -1.930610    0.044926   0.040438  -0.025031
Si    2.214981   0.108668  -1.930610   -0.044926  -0.040438  -0.025031
Si   -1.121544   0.237607  -3.870624   -0.021392  -0.092830   0.049106
Si    1.121544  -0.237607  -3.870624    0.021392   0.092830   0.049106
Si   -2.216206  -0.148736  -5.796313    0.037710   0.048962  -0.052948
Si    2.216206   0.148736  -5.796313   -0.037710  -0.048962  -0.052948
Si   -1.124212   0.208971  -7.730247   -0.022872  -0.081581   0.060451
Si    1.124212  -0.208971  -7.730247    0.022872   0.081581   0.060451
Si   -2.232613  -0.169527   9.666692    0.023302   0.051734   0.044850
Si    2.232613   0.169527   9.666692   -0.023302  -0.051734   0.044850
Si   -2.232613  -0.169527  -9.666692    0.023302   0.051734  -0.044850
Si    2.232613   0.169527  -9.666692   -0.023302  -0.051734  -0.044850
Si   -1.111776   0.187880  11.544638   -0.035640  -0.040125  -0.049262
Si    1.111776  -0.187880  11.544638    0.035640   0.040125  -0.049262
Si   -1.111776   0.187880 -11.544638   -0.035640  -0.040125   0.049262
Si    1.111776  -0.187880 -11.544638    0.035640   0.040125   0.049262
H    3.685416  -0.136561  -1.927527   -0.000112  -0.008302  -0.004037
H    3.685416  -0.136561   1.927527   -0.000112  -0.008302   0.004037
H    3.682903  -0.119048   5.788044    0.000473  -0.001335   0.009251
H   -3.682903   0.119048   5.788044   -0.000473   0.001335   0.009251
H   -3.685416   0.136561   1.927527    0.000112   0.008302   0.004037
H   -3.685416   0.136561  -1.927527    0.000112   0.008302  -0.004037
H   -3.682903   0.119048  -5.788044   -0.000473   0.001335  -0.009251
H    3.682903  -0.119048  -5.788044    0.000473  -0.001335  -0.009251
H   -3.696395   0.105867   9.649945   -0.003314  -0.008443   0.005331
H    3.696395  -0.105867   9.649945    0.003314   0.008443   0.005331
H   -3.696395   0.105867  -9.649945   -0.003314  -0.008443  -0.005331
H    3.696395  -0.105867  -9.649945    0.003314   0.008443  -0.005331
H   -1.825276   0.012932  12.839765    0.004602   0.005867   0.009318
H    1.825276  -0.012932  12.839765   -0.004602  -0.005867   0.009318
H   -1.825276   0.012932 -12.839765    0.004602   0.005867  -0.009318
H    1.825276  -0.012932 -12.839765   -0.004602  -0.005867  -0.009318
42
Step =   5   Forces - Min =   0.000001 42 3    Min =   0.000137 10 2
Si   -1.124876   0.201525   7.731604   -0.015922  -0.014799   0.016866
Si    1.124876  -0.201525   7.731604    0.015922   0.014799   0.016866
Si   -2.217125  -0.143586   5.798751    0.011504   0.006441  -0.007995
Si    2.217125   0.143586   5.798751   -0.011504  -0.006441  -0.007995
Si   -1.122632   0.229410   3.871106    0.008635  -0.023123   0.013207
Si    1.122632  -0.229410   3.871106   -0.008635   0.023123   0.013207
Si   -2.215589  -0.104932   1.931653   -0.005009  -0.003330  -0.001373
Si    2.215589   0.104932   1.931653    0.005009   0.003330  -0.001373
Si   -1.120983   0.243879   0.000000    0.019065  -0.027373   0.000000
Si    1.120983  -0.243879   0.000000   -0.019065   0.027373   0.000000
Si   -2.215589  -0.104932  -1.931653   -0.005009  -0.003330   0.001373
Si    2.215589   0.104932  -1.931653    0.005009   0.003330   0.001373
Si   -1.122632   0.229410  -3.871106    0.008635  -0.023123  -0.013207
Si    1.122632  -0.229410  -3.871106   -0.008635   0.023123  -0.013207
Si   -2.217125  -0.143586  -5.798751    0.011504   0.006441   0.007995
Si    2.217125   0.143586  -5.798751   -0.011504  -0.006441   0.007995
Si   -1.124876   0.201525  -7.731604   -0.015922  -0.014799  -0.016866
Si    1.124876  -0.201525  -7.731604    0.015922   0.014799  -0.016866
Si   -2.234531  -0.165557   9.669191    0.019702   0.014041  -0.008884
Si    2.234531   0.165557   9.669191   -0.019702  -0.014041  -0.008884
Si   -2.234531  -0.165557  -9.669191    0.019702   0.014041   0.008884
Si    2.234531   0.165557  -9.669191   -0.019702  -0.014041   0.008884
Si   -1.112290   0.182620  11.545576   -0.016659  -0.002298   0.008138
Si    1.112290  -0.182620  11.545576    0.016659   0.002298   0.008138
Si   -1.112290   0.182620 -11.545576   -0.016659  -0.002298  -0.008138
Si    1.112290  -0.182620 -11.545576    0.016659   0.002298  -0.008138
H    3.686385  -0.136581  -1.929840   -0.001298  -0.007971   0.003691
H    3.686385  -0.136581   1.929840   -0.001298  -0.007971  -0.003691
H    3.684196  -0.120656   5.793121   -0.000183  -0.000981  -0.006103
H   -3.684196   0.120656   5.793121    0.000183   0.000981  -0.006103
H   -3.686385   0.136581   1.929840    0.001298   0.007971  -0.003691
H   -3.686385   0.136581  -1.929840    0.001298   0.007971   0.003691
H   -3.684196   0.120656  -5.793121    0.000183   0.000981   0.006103
H    3.684196  -0.120656  -5.793121   -0.000183  -0.000981   0.006103
H   -3.699211   0.103769   9.653453    0.000113  -0.001997  -0.005046
H    3.699211  -0.103769   9.653453   -0.000113   0.001997  -0.005046
H   -3.699211   0.103769  -9.653453    0.000113  -0.001997   0.005046
H    3.699211  -0.103769  -9.653453   -0.000113   0.001997   0.005046
H   -1.824013   0.012181  12.842198    0.002769   0.002238  -0.000199
H    1.824013  -0.012181  12.842198   -0.002769  -0.002238  -0.000199
H   -1.824013   0.012181 -12.842198    0.002769   0.002238   0.000199
H    1.824013  -0.012181 -12.842198   -0.002769  -0.002238   0.000199
42
Step =   6   Forces - Min =   0.000005 42 3    Min =   0.000040 19 1
Si   -1.124945   0.200291   7.733073   -0.006640   0.000968   0.001166
Si    1.124945  -0.200291   7.733073    0.006640  -0.000968   0.001166
Si   -2.216927  -0.143252   5.799938    0.003256   0.001054   0.000685
Si    2.216927   0.143252   5.799938   -0.003256  -0.001054   0.000685
Si   -1.122917   0.226134   3.871785   -0.002922  -0.000629   0.001459
Si    1.122917  -0.226134   3.871785    0.002922   0.000629   0.001459
Si   -2.215786  -0.106644   1.932074   -0.003084  -0.000210   0.000425
Si    2.215786   0.106644   1.932074    0.003084   0.000210   0.000425
Si   -1.121417   0.239717   0.000000   -0.000971  -0.001559   0.000000
Si    1.121417  -0.239717   0.000000    0.000971   0.001559   0.000000
Si   -2.215786  -0.106644  -1.932074   -0.003084  -0.000210  -0.000425
Si    2.215786   0.106644  -1.932074    0.003084   0.000210  -0.000425
Si   -1.122917   0.226134  -3.871785   -0.002922  -0.000629  -0.001459
Si    1.122917  -0.226134  -3.871785    0.002922   0.000629  -0.001459
Si   -2.216927  -0.143252  -5.799938    0.003256   0.001054  -0.000685
Si    2.216927   0.143252  -5.799938   -0.003256  -0.001054  -0.000685
Si   -1.124945   0.200291  -7.733073   -0.006640   0.000968  -0.001166
Si    1.124945  -0.200291  -7.733073    0.006640  -0.000968  -0.001166
Si   -2.234541  -0.161781   9.671034    0.008058   0.001748   0.002235
Si    2.234541   0.161781   9.671034   -0.008058  -0.001748   0.002235
Si   -2.234541  -0.161781  -9.671034    0.008058   0.001748  -0.002235
Si    2.234541   0.161781  -9.671034   -0.008058  -0.001748  -0.002235
Si   -1.112231   0.183418  11.547729    0.003112   0.001203   0.002113
Si    1.112231  -0.183418  11.547729   -0.003112  -0.001203   0.002113
Si   -1.112231   0.183418 -11.547729    0.003112   0.001203  -0.002113
Si    1.112231  -0.183418 -11.547729   -0.003112  -0.001203  -0.002113
H    3.686361  -0.135910  -1.929918    0.000175  -0.000527   0.002405
H    3.686361  -0.135910   1.929918    0.000175  -0.000527  -0.002405
H    3.684083  -0.120195   5.793672    0.000125   0.000582  -0.004054
H   -3.684083   0.120195   5.793672   -0.000125  -0.000582  -0.004054
H   -3.686361   0.135910   1.929918   -0.000175   0.000527  -0.002405
H   -3.686361   0.135910  -1.929918   -0.000175   0.000527   0.002405
H   -3.684083   0.120195  -5.793672   -0.000125  -0.000582   0.004054
H    3.684083  -0.120195  -5.793672    0.000125   0.000582   0.004054
H   -3.699207   0.107231   9.654517   -0.000150  -0.000356  -0.002567
H    3.699207  -0.107231   9.654517    0.000150   0.000356  -0.002567
H   -3.699207   0.107231  -9.654517   -0.000150  -0.000356   0.002567
H    3.699207  -0.107231  -9.654517    0.000150   0.000356   0.002567
H   -1.823942   0.015186  12.844559   -0.001806   0.000062  -0.000933
H    1.823942  -0.015186  12.844559    0.001806  -0.000062  -0.000933
H   -1.823942   0.015186 -12.844559   -0.001806   0.000062   0.000933
H    1.823942  -0.015186 -12.844559    0.001806  -0.000062   0.000933
42
Step =   7   Forces - Min =   0.000005 42 3    Min =   0.000016  3 3
Si   -1.124917   0.200534   7.733037   -0.002674   0.000403  -0.002661
Si    1.124917  -0.200534   7.733037    0.002674  -0.000403  -0.002661
Si   -2.216826  -0.143520   5.799888    0.000874   0.000862   0.003287
Si    2.216826   0.143520   5.799888   -0.000874  -0.000862   0.003287
Si   -1.123032   0.225687   3.871668    0.000190  -0.000313  -0.002214
Si    1.123032  -0.225687   3.871668   -0.000190   0.000313  -0.002214
Si   -2.215941  -0.107577   1.932006   -0.001375   0.001151   0.001442
Si    2.215941   0.107577   1.932006    0.001375  -0.001151   0.001442
Si   -1.121581   0.239032   0.000000    0.001859  -0.000831   0.000000
Si    1.121581  -0.239032   0.000000   -0.001859   0.000831   0.000000
Si   -2.215941  -0.107577  -1.932006   -0.001375   0.001151  -0.001442
Si    2.215941   0.107577  -1.932006    0.001375  -0.001151  -0.001442
Si   -1.123032   0.225687  -3.871668    0.000190  -0.000313   0.002214
Si    1.123032  -0.225687  -3.871668   -0.000190   0.000313   0.002214
Si   -2.216826  -0.143520  -5.799888    0.000874   0.000862  -0.003287
Si    2.216826   0.143520  -5.799888   -0.000874  -0.000862  -0.003287
Si   -1.124917   0.200534  -7.733037   -0.002674   0.000403   0.002661
Si    1.124917  -0.200534  -7.733037    0.002674  -0.000403   0.002661
Si   -2.234244  -0.160740   9.671210    0.002345   0.000119   0.001984
Si    2.234244   0.160740   9.671210   -0.002345  -0.000119   0.001984
Si   -2.234244  -0.160740  -9.671210    0.002345   0.000119  -0.001984
Si    2.234244   0.160740  -9.671210   -0.002345  -0.000119  -0.001984
Si   -1.112065   0.184207  11.548034    0.000292   0.000566   0.001516
Si    1.112065  -0.184207  11.548034   -0.000292  -0.000566   0.001516
Si   -1.112065   0.184207 -11.548034    0.000292   0.000566  -0.001516
Si    1.112065  -0.184207 -11.548034   -0.000292  -0.000566  -0.001516
H    3.686545  -0.134847  -1.929543   -0.000244   0.000421   0.000765
H    3.686545  -0.134847   1.929543   -0.000244   0.000421  -0.000765
H    3.684054  -0.119518   5.793086    0.000091   0.000212  -0.001464
H   -3.684054   0.119518   5.793086   -0.000091  -0.000212  -0.001464
H   -3.686545   0.134847   1.929543    0.000244  -0.000421  -0.000765
H   -3.686545   0.134847  -1.929543    0.000244  -0.000421   0.000765
H   -3.684054   0.119518  -5.793086   -0.000091  -0.000212   0.001464
H    3.684054  -0.119518  -5.793086    0.000091   0.000212   0.001464
H   -3.698874   0.108462   9.654347   -0.000090   0.000048  -0.000675
H    3.698874  -0.108462   9.654347    0.000090  -0.000048  -0.000675
H   -3.698874   0.108462  -9.654347   -0.000090   0.000048   0.000675
H    3.698874  -0.108462  -9.654347    0.000090  -0.000048   0.000675
H   -1.824148   0.016283  12.844700   -0.001494   0.000037  -0.001081
H    1.824148  -0.016283  12.844700    0.001494  -0.000037  -0.001081
H   -1.824148   0.016283 -12.844700   -0.001494   0.000037   0.001081
H    1.824148  -0.016283 -12.844700    0.001494  -0.000037   0.001081
42
Step =   8   Forces - Min =   0.000001 42 3    Min =   0.000009  9 1
Si   -1.124909   0.200635   7.732964   -0.000451  -0.000010  -0.001446
Si    1.124909  -0.200635   7.732964    0.000451   0.000010  -0.001446
Si   -2.216787  -0.143560   5.799853   -0.000286   0.000405   0.001566
Si    2.216787   0.143560   5.799853    0.000286  -0.000405   0.001566
Si   -1.123079   0.225490   3.871558    0.001121  -0.000280  -0.000987
Si    1.123079  -0.225490   3.871558   -0.001121   0.000280  -0.000987
Si   -2.216023  -0.107936   1.931967   -0.000437   0.000750   0.000900
Si    2.216023   0.107936   1.931967    0.000437  -0.000750   0.000900
Si   -1.121644   0.238712   0.000000    0.001812  -0.000368   0.000000
Si    1.121644  -0.238712   0.000000   -0.001812   0.000368   0.000000
Si   -2.216023  -0.107936  -1.931967   -0.000437   0.000750  -0.000900
Si    2.216023   0.107936  -1.931967    0.000437  -0.000750  -0.000900
Si   -1.123079   0.225490  -3.871558    0.001121  -0.000280   0.000987
Si    1.123079  -0.225490  -3.871558   -0.001121   0.000280   0.000987
Si   -2.216787  -0.143560  -5.799853   -0.000286   0.000405  -0.001566
Si    2.216787   0.143560  -5.799853    0.000286  -0.000405  -0.001566
Si   -1.124909   0.200635  -7.732964   -0.000451  -0.000010   0.001446
Si    1.124909  -0.200635  -7.732964    0.000451   0.000010   0.001446
Si   -2.234070  -0.160331   9.671288    0.000284  -0.000436  -0.000163
Si    2.234070   0.160331   9.671288   -0.000284   0.000436  -0.000163
Si   -2.234070  -0.160331  -9.671288    0.000284  -0.000436   0.000163
Si    2.234070   0.160331  -9.671288   -0.000284   0.000436   0.000163
Si   -1.112013   0.184497  11.548200   -0.000247   0.000512   0.000621
Si    1.112013  -0.184497  11.548200    0.000247  -0.000512   0.000621
Si   -1.112013   0.184497 -11.548200   -0.000247   0.000512  -0.000621
Si    1.112013  -0.184497 -11.548200    0.000247  -0.000512  -0.000621
H    3.686665  -0.134211  -1.929349   -0.000043   0.000231  -0.000004
H    3.686665  -0.134211   1.929349   -0.000043   0.000231   0.000004
H    3.684062  -0.119214   5.792771   -0.000243  -0.000065  -0.000144
H   -3.684062   0.119214   5.792771    0.000243   0.000065  -0.000144
H   -3.686665   0.134211   1.929349    0.000043  -0.000231   0.000004
H   -3.686665   0.134211  -1.929349    0.000043  -0.000231  -0.000004
H   -3.684062   0.119214  -5.792771    0.000243   0.000065   0.000144
H    3.684062  -0.119214  -5.792771   -0.000243  -0.000065   0.000144
H   -3.698703   0.108859   9.654270    0.000107   0.000286   0.000289
H    3.698703  -0.108859   9.654270   -0.000107  -0.000286   0.000289
H   -3.698703   0.108859  -9.654270    0.000107   0.000286  -0.000289
H    3.698703  -0.108859  -9.654270   -0.000107  -0.000286  -0.000289
H   -1.824395   0.016646  12.844705   -0.000948  -0.000102  -0.000254
H    1.824395  -0.016646  12.844705    0.000948   0.000102  -0.000254
H   -1.824395   0.016646 -12.844705   -0.000948  -0.000102   0.000254
H    1.824395  -0.016646 -12.844705    0.000948   0.000102   0.000254
42
Step =   9   Forces - Min =   0.000002 42 3    Min =   0.000004 23 3
Si   -1.124907   0.200639   7.732936    0.000128   0.000144  -0.000163
Si    1.124907  -0.200639   7.732936   -0.000128  -0.000144  -0.000163
Si   -2.216786  -0.143512   5.799853   -0.000226   0.000034  -0.000273
Si    2.216786   0.143512   5.799853    0.000226  -0.000034  -0.000273
Si   -1.123071   0.225481   3.871539    0.000402  -0.000240  -0.000143
Si    1.123071  -0.225481   3.871539   -0.000402   0.000240  -0.000143
Si   -2.216040  -0.107902   1.931974    0.000165   0.000360  -0.000142
Si    2.216040   0.107902   1.931974   -0.000165  -0.000360  -0.000142
Si   -1.121637   0.238682   0.000000    0.000075  -0.000375   0.000000
Si    1.121637  -0.238682   0.000000   -0.000075   0.000375   0.000000
Si   -2.216040  -0.107902  -1.931974    0.000165   0.000360   0.000142
Si    2.216040   0.107902  -1.931974   -0.000165  -0.000360   0.000142
Si   -1.123071   0.225481  -3.871539    0.000402  -0.000240   0.000143
Si    1.123071  -0.225481  -3.871539   -0.000402   0.000240   0.000143
Si   -2.216786  -0.143512  -5.799853   -0.000226   0.000034   0.000273
Si    2.216786   0.143512  -5.799853    0.000226  -0.000034   0.000273
Si   -1.124907   0.200639  -7.732936    0.000128   0.000144   0.000163
Si    1.124907  -0.200639  -7.732936   -0.000128  -0.000144   0.000163
Si   -2.234004  -0.160370   9.671296    0.000234  -0.000463  -0.000345
Si    2.234004   0.160370   9.671296   -0.000234   0.000463  -0.000345
Si   -2.234004  -0.160370  -9.671296    0.000234  -0.000463   0.000345
Si    2.234004   0.160370  -9.671296   -0.000234   0.000463   0.000345
Si   -1.112027   0.184477  11.548255    0.000265   0.000282   0.000823
Si    1.112027  -0.184477  11.548255   -0.000265  -0.000282   0.000823
Si   -1.112027   0.184477 -11.548255    0.000265   0.000282  -0.000823
Si    1.112027  -0.184477 -11.548255   -0.000265  -0.000282  -0.000823
H    3.686699  -0.134122  -1.929333   -0.000140  -0.000042  -0.000099
H    3.686699  -0.134122   1.929333   -0.000140  -0.000042   0.000099
H    3.684062  -0.119222   5.792716    0.000177  -0.000216   0.000107
H   -3.684062   0.119222   5.792716   -0.000177   0.000216   0.000107
H   -3.686699   0.134122   1.929333    0.000140   0.000042   0.000099
H   -3.686699   0.134122  -1.929333    0.000140   0.000042  -0.000099
H   -3.684062   0.119222  -5.792716   -0.000177   0.000216  -0.000107
H    3.684062  -0.119222  -5.792716    0.000177  -0.000216  -0.000107
H   -3.698643   0.108776   9.654282   -0.000269   0.000369   0.000277
H    3.698643  -0.108776   9.654282    0.000269  -0.000369   0.000277
H   -3.698643   0.108776  -9.654282   -0.000269   0.000369  -0.000277
H    3.698643  -0.108776  -9.654282    0.000269  -0.000369  -0.000277
H   -1.824555   0.016540  12.844677   -0.000113   0.000018  -0.000447
H    1.824555  -0.016540  12.844677    0.000113  -0.000018  -0.000447
H   -1.824555   0.016540 -12.844677   -0.000113   0.000018   0.000447
H    1.824555  -0.016540 -12.844677    0.000113  -0.000018   0.000447
42
Step =  10   Forces - Min =   0.000002 42 3    Min =   0.000004 15 3
Si   -1.124907   0.200647   7.732921    0.000172   0.000240   0.000244
Si    1.124907  -0.200647   7.732921   -0.000172  -0.000240   0.000244
Si   -2.216795  -0.143493   5.799846   -0.000266  -0.000029  -0.000726
Si    2.216795   0.143493   5.799846    0.000266   0.000029  -0.000726
Si   -1.123068   0.225475   3.871528    0.000105  -0.000161   0.000231
Si    1.123068  -0.225475   3.871528   -0.000105   0.000161   0.000231
Si   -2.216039  -0.107903   1.931973    0.000309   0.000181  -0.000270
Si    2.216039   0.107903   1.931973   -0.000309  -0.000181  -0.000270
Si   -1.121634   0.238662   0.000000   -0.000389  -0.000245   0.000000
Si    1.121634  -0.238662   0.000000    0.000389   0.000245   0.000000
Si   -2.216039  -0.107903  -1.931973    0.000309   0.000181   0.000270
Si    2.216039   0.107903  -1.931973   -0.000309  -0.000181   0.000270
Si   -1.123068   0.225475  -3.871528    0.000105  -0.000161  -0.000231
Si    1.123068  -0.225475  -3.871528   -0.000105   0.000161  -0.000231
Si   -2.216795  -0.143493  -5.799846   -0.000266  -0.000029   0.000726
Si    2.216795   0.143493  -5.799846    0.000266   0.000029   0.000726
Si   -1.124907   0.200647  -7.732921    0.000172   0.000240  -0.000244
Si    1.124907  -0.200647  -7.732921   -0.000172  -0.000240  -0.000244
Si   -2.233976  -0.160385   9.671303    0.000060  -0.000303  -0.000081
Si    2.233976   0.160385   9.671303   -0.000060   0.000303  -0.000081
Si   -2.233976  -0.160385  -9.671303    0.000060  -0.000303   0.000081
Si    2.233976   0.160385  -9.671303   -0.000060   0.000303   0.000081
Si   -1.112027   0.184484  11.548282    0.000488   0.000068   0.000524
Si    1.112027  -0.184484  11.548282   -0.000488  -0.000068   0.000524
Si   -1.112027   0.184484 -11.548282    0.000488   0.000068  -0.000524
Si    1.112027  -0.184484 -11.548282   -0.000488  -0.000068  -0.000524
H    3.686703  -0.134075  -1.929330    0.000059  -0.000170  -0.000089
H    3.686703  -0.134075   1.929330    0.000059  -0.000170   0.000089
H    3.684071  -0.119253   5.792697    0.000148  -0.000208   0.000150
H   -3.684071   0.119253   5.792697   -0.000148   0.000208   0.000150
H   -3.686703   0.134075   1.929330   -0.000059   0.000170   0.000089
H   -3.686703   0.134075  -1.929330   -0.000059   0.000170  -0.000089
H   -3.684071   0.119253  -5.792697   -0.000148   0.000208  -0.000150
H    3.684071  -0.119253  -5.792697    0.000148  -0.000208  -0.000150
H   -3.698615   0.108787   9.654310   -0.000159   0.000289   0.000125
H    3.698615  -0.108787   9.654310    0.000159  -0.000289   0.000125
H   -3.698615   0.108787  -9.654310   -0.000159   0.000289  -0.000125
H    3.698615  -0.108787  -9.654310    0.000159  -0.000289  -0.000125
H   -1.824616   0.016512  12.844660    0.000125   0.000109  -0.000369
H    1.824616  -0.016512  12.844660   -0.000125  -0.000109  -0.000369
H   -1.824616   0.016512 -12.844660    0.000125   0.000109   0.000369
H    1.824616  -0.016512 -12.844660   -0.000125  -0.000109   0.000369
42
Step =  11   Forces - Min =  -0.000003 42 3    Min =   0.000003 21 3
Si   -1.124910   0.200650   7.732927    0.000064  -0.000075   0.000097
Si    1.124910  -0.200650   7.732927   -0.000064   0.000075   0.000097
Si   -2.216814  -0.143487   5.799847   -0.000019   0.000203  -0.000053
Si    2.216814   0.143487   5.799847    0.000019  -0.000203  -0.000053
Si   -1.123066   0.225474   3.871536   -0.000198  -0.000077   0.000546
Si    1.123066  -0.225474   3.871536    0.000198   0.000077   0.000546
Si   -2.216034  -0.107888   1.931976    0.000075   0.000128   0.000002
Si    2.216034   0.107888   1.931976   -0.000075  -0.000128   0.000002
Si   -1.121634   0.238657   0.000000   -0.000406  -0.000054   0.000000
Si    1.121634  -0.238657   0.000000    0.000406   0.000054   0.000000
Si   -2.216034  -0.107888  -1.931976    0.000075   0.000128  -0.000002
Si    2.216034   0.107888  -1.931976   -0.000075  -0.000128  -0.000002
Si   -1.123066   0.225474  -3.871536   -0.000198  -0.000077  -0.000546
Si    1.123066  -0.225474  -3.871536    0.000198   0.000077  -0.000546
Si   -2.216814  -0.143487  -5.799847   -0.000019   0.000203   0.000053
Si    2.216814   0.143487  -5.799847    0.000019  -0.000203   0.000053
Si   -1.124910   0.200650  -7.732927    0.000064  -0.000075  -0.000097
Si    1.124910  -0.200650  -7.732927   -0.000064   0.000075  -0.000097
Si   -2.233962  -0.160418   9.671324   -0.000134   0.000142  -0.000649
Si    2.233962   0.160418   9.671324    0.000134  -0.000142  -0.000649
Si   -2.233962  -0.160418  -9.671324   -0.000134   0.000142   0.000649
Si    2.233962   0.160418  -9.671324    0.000134  -0.000142   0.000649
Si   -1.112019   0.184493  11.548306   -0.000068   0.000316  -0.000467
Si    1.112019  -0.184493  11.548306    0.000068  -0.000316  -0.000467
Si   -1.112019   0.184493 -11.548306   -0.000068   0.000316   0.000467
Si    1.112019  -0.184493 -11.548306    0.000068  -0.000316   0.000467
H    3.686700  -0.134087  -1.929344    0.000002  -0.000168  -0.000010
H    3.686700  -0.134087   1.929344    0.000002  -0.000168   0.000010
H    3.684087  -0.119292   5.792710   -0.000306  -0.000062   0.000015
H   -3.684087   0.119292   5.792710    0.000306   0.000062   0.000015
H   -3.686700   0.134087   1.929344   -0.000002   0.000168   0.000010
H   -3.686700   0.134087  -1.929344   -0.000002   0.000168  -0.000010
H   -3.684087   0.119292  -5.792710    0.000306   0.000062  -0.000015
H    3.684087  -0.119292  -5.792710   -0.000306  -0.000062  -0.000015
H   -3.698598   0.108803   9.654358    0.000266   0.000082   0.000058
H    3.698598  -0.108803   9.654358   -0.000266  -0.000082   0.000058
H   -3.698598   0.108803  -9.654358    0.000266   0.000082  -0.000058
H    3.698598  -0.108803  -9.654358   -0.000266  -0.000082  -0.000058
H   -1.824632   0.016516  12.844659   -0.000252  -0.000046   0.000609
H    1.824632  -0.016516  12.844659    0.000252   0.000046   0.000609
H   -1.824632   0.016516 -12.844659   -0.000252  -0.000046  -0.000609
H    1.824632  -0.016516 -12.844659    0.000252   0.000046  -0.000609
42
Step =  12   Forces - Min =  -0.000003 42 3    Min =   0.000003 39 3
Si   -1.124910   0.200650   7.732927    0.000011  -0.000027  -0.000356
Si    1.124910  -0.200650   7.732927   -0.000011   0.000027  -0.000356
Si   -2.216814  -0.143487   5.799847   -0.000097   0.000163  -0.000119
Si    2.216814   0.143487   5.799847    0.000097  -0.000163  -0.000119
Si   -1.123066   0.225474   3.871536   -0.000243  -0.000063   0.000369
Si    1.123066  -0.225474   3.871536    0.000243   0.000063   0.000369
Si   -2.216034  -0.107888   1.931976    0.000115   0.000211  -0.000251
Si    2.216034   0.107888   1.931976   -0.000115  -0.000211  -0.000251
Si   -1.121634   0.238657   0.000000   -0.000414  -0.000204   0.000000
Si    1.121634  -0.238657   0.000000    0.000414   0.000204   0.000000
Si   -2.216034  -0.107888  -1.931976    0.000115   0.000211   0.000251
Si    2.216034   0.107888  -1.931976   -0.000115  -0.000211   0.000251
Si   -1.123066   0.225474  -3.871536   -0.000243  -0.000063  -0.000369
Si    1.123066  -0.225474  -3.871536    0.000243   0.000063  -0.000369
Si   -2.216814  -0.143487  -5.799847   -0.000097   0.000163   0.000119
Si    2.216814   0.143487  -5.799847    0.000097  -0.000163   0.000119
Si   -1.124910   0.200650  -7.732927    0.000011  -0.000027   0.000356
Si    1.124910  -0.200650  -7.732927   -0.000011   0.000027   0.000356
Si   -2.233962  -0.160418   9.671324   -0.000200   0.000134  -0.000632
Si    2.233962   0.160418   9.671324    0.000200  -0.000134  -0.000632
Si   -2.233962  -0.160418  -9.671324   -0.000200   0.000134   0.000632
Si    2.233962   0.160418  -9.671324    0.000200  -0.000134   0.000632
Si   -1.112019   0.184493  11.548306   -0.000107   0.000355  -0.000542
Si    1.112019  -0.184493  11.548306    0.000107  -0.000355  -0.000542
Si   -1.112019   0.184493 -11.548306   -0.000107   0.000355   0.000542
Si    1.112019  -0.184493 -11.548306    0.000107  -0.000355   0.000542
H    3.686700  -0.134087  -1.929344   -0.000149  -0.000126  -0.000042
H    3.686700  -0.134087   1.929344   -0.000149  -0.000126   0.000042
H    3.684087  -0.119292   5.792710   -0.000277  -0.000082   0.000022
H   -3.684087   0.119292   5.792710    0.000277   0.000082   0.000022
H   -3.686700   0.134087   1.929344    0.000149   0.000126   0.000042
H   -3.686700   0.134087  -1.929344    0.000149   0.000126  -0.000042
H   -3.684087   0.119292  -5.792710   -0.005797   0.000154  -0.000022
H    3.684087  -0.119292  -5.792710   -0.000277  -0.000082  -0.000022
H   -3.698598   0.108803   9.654358    0.000299   0.000081   0.000057
H    3.698598  -0.108803   9.654358   -0.000299  -0.000081   0.000057
H   -3.698598   0.108803  -9.654358    0.000299   0.000081  -0.000057
H    3.698598  -0.108803  -9.654358   -0.000299  -0.000081  -0.000057
H   -1.824632   0.016516  12.844659   -0.000298  -0.000068   0.000693
H    1.824632  -0.016516  12.844659    0.000298   0.000068   0.000693
H   -1.824632   0.016516 -12.844659   -0.000298  -0.000068  -0.000693
H    1.824632  -0.016516 -12.844659    0.000298   0.000068  -0.000693
