36
Step =   1   Forces - Min =  -0.000336 36 3    Min =   0.020658 19 1
Si   -0.200244   2.216278   3.875308   -1.386595   0.123317   0.241517
Si   -0.232281   2.204085   0.000000    0.000000   0.081263  -0.017708
Si   -0.200244   2.216278  -3.875308    1.386595   0.123317   0.241517
Si    0.200244   1.110995   5.750821    2.442854   1.824057  -0.168180
Si    0.197169   1.125197   1.925380    0.361808   0.519619   0.046131
Si    0.197169   1.125197  -1.925380   -0.361808   0.519619   0.046131
Si   -0.200244  -1.110995   5.750821    2.442854  -1.824057   0.168180
Si   -0.197169  -1.125197   1.925380    0.361808  -0.519619  -0.046131
Si   -0.197169  -1.125197  -1.925380   -0.361808  -0.519619  -0.046131
Si    0.200244  -2.216278   3.875308   -1.386595  -0.123317  -0.241517
Si    0.232281  -2.204085   0.000000    0.000000  -0.081263   0.017708
Si    0.200244  -2.216278  -3.875308    1.386595  -0.123317  -0.241517
Si   -0.200244  -1.110995  -5.750821   -2.442854  -1.824057   0.168180
Si    0.200244   1.110995  -5.750821   -2.442854   1.824057  -0.168180
Si   -0.200244   2.216278   7.750616   -3.139499   0.248422   0.009994
Si    0.200244  -2.216278   7.750616   -3.139499  -0.248422  -0.009994
Si   -0.200244   2.216278  -7.750616    3.139499   0.248422   0.009994
Si    0.200244  -2.216278  -7.750616    3.139499  -0.248422  -0.009994
Si    0.200244   1.110995   9.576262    4.131633   0.764840  -0.080905
Si   -0.200244  -1.110995   9.576262    4.131633  -0.764840   0.080905
Si    0.200244   1.110995  -9.576262   -4.131633   0.764840  -0.080905
Si   -0.200244  -1.110995  -9.576262   -4.131633  -0.764840   0.080905
H    0.077481   3.682839   7.739346   -0.022143  -0.031247  -0.003586
H   -0.077481  -3.682839   7.739346   -0.022143   0.031247   0.003586
H    0.077481   3.682839  -7.739346    0.022143  -0.031247  -0.003586
H   -0.077481  -3.682839  -7.739346    0.022143   0.031247   0.003586
H   -0.000044   1.824828  10.921149   -2.333005  -1.249309  -0.338050
H    0.000044  -1.824828  10.921149   -2.333005   1.249309   0.338050
H   -0.000044   1.824828 -10.921149    2.333005  -1.249309  -0.338050
H    0.000044  -1.824828 -10.921149    2.333005   1.249309   0.338050
H   -0.077481  -3.682839   3.869673    0.058598  -0.007094   0.067173
H   -0.065474  -3.668252   0.000000    0.000000   0.002995   0.010063
H   -0.077481  -3.682839  -3.869673   -0.058598  -0.007094   0.067173
H    0.077481   3.682839   3.869673    0.058598   0.007094  -0.067173
H    0.065474   3.668252   0.000000    0.000000  -0.002995  -0.010063
H    0.077481   3.682839  -3.869673   -0.058598   0.007094  -0.067173
36
Step =   2   Forces - Min =  -0.000336 36 3    Min =   0.005793 17 1
Si    2.223273   0.157737   3.872054   -0.626114  -0.107577   0.159384
Si    2.211256   0.185929   0.000000    0.000000   0.018319  -0.006480
Si    2.223273   0.157737  -3.872054    0.626114  -0.107577   0.159384
Si    1.117378  -0.225007   5.769037    0.987128   0.713611  -0.061624
Si    1.124200  -0.218138   1.928265    0.170104   0.259828   0.033721
Si    1.124200  -0.218138  -1.928265   -0.170104   0.259828   0.033721
Si   -1.117378   0.225007   5.769037    0.987128  -0.713611   0.061624
Si   -1.124200   0.218138   1.928265    0.170104  -0.259828  -0.033721
Si   -1.124200   0.218138  -1.928265   -0.170104  -0.259828  -0.033721
Si   -2.223273  -0.157737   3.872054   -0.626114   0.107577  -0.159384
Si   -2.211256  -0.185929   0.000000    0.000000  -0.018319   0.006480
Si   -2.223273  -0.157737  -3.872054    0.626114   0.107577  -0.159384
Si   -1.117378   0.225007  -5.769037   -0.987128  -0.713611   0.061624
Si    1.117378  -0.225007  -5.769037   -0.987128   0.713611  -0.061624
Si    2.227818   0.139420   7.740148   -1.158671  -0.086713  -0.021925
Si   -2.227818  -0.139420   7.740148   -1.158671   0.086713   0.021925
Si    2.227818   0.139420  -7.740148    1.158671  -0.086713  -0.021925
Si   -2.227818  -0.139420  -7.740148    1.158671   0.086713   0.021925
Si    1.108920  -0.231122   9.594037    0.597853  -0.306890  -0.088215
Si   -1.108920   0.231122   9.594037    0.597853   0.306890   0.088215
Si    1.108920  -0.231122  -9.594037   -0.597853  -0.306890  -0.088215
Si   -1.108920   0.231122  -9.594037   -0.597853   0.306890   0.088215
H    3.685886  -0.177473   7.720420    0.035851   0.003722  -0.016022
H   -3.685886   0.177473   7.720420    0.035851  -0.003722   0.016022
H    3.685886  -0.177473  -7.720420   -0.035851   0.003722  -0.016022
H   -3.685886   0.177473  -7.720420   -0.035851  -0.003722   0.016022
H    1.811348  -0.056578  10.899352   -0.028566   0.010472  -0.006518
H   -1.811348   0.056578  10.899352   -0.028566  -0.010472   0.006518
H    1.811348  -0.056578 -10.899352    0.028566   0.010472  -0.006518
H   -1.811348   0.056578 -10.899352    0.028566  -0.010472   0.006518
H   -3.682698   0.156702   3.863503    0.054042  -0.005713   0.067247
H   -3.668872   0.142355   0.000000    0.000000   0.005232   0.014639
H   -3.682698   0.156702  -3.863503   -0.054042  -0.005713   0.067247
H    3.682698  -0.156702   3.863503    0.054042   0.005713  -0.067247
H    3.668872  -0.142355   0.000000    0.000000  -0.005232  -0.014639
H    3.682698  -0.156702  -3.863503   -0.054042   0.005713  -0.067247
36
Step =   3   Forces - Min =  -0.000219 36 3    Min =   0.001029 20 2
Si    2.220962   0.167503   3.869865   -0.178034  -0.098405   0.092076
Si    2.212675   0.191401   0.000000    0.000000   0.012015   0.005238
Si    2.220962   0.167503  -3.869865    0.178034  -0.098405   0.092076
Si    1.122157  -0.225095   5.778321    0.160253   0.116460  -0.043569
Si    1.126451  -0.213102   1.929363    0.020979   0.081674   0.002696
Si    1.126451  -0.213102  -1.929363   -0.020979   0.081674   0.002696
Si   -1.122157   0.225095   5.778321    0.160253  -0.116460   0.043569
Si   -1.126451   0.213102   1.929363    0.020979  -0.081674  -0.002696
Si   -1.126451   0.213102  -1.929363   -0.020979  -0.081674  -0.002696
Si   -2.220962  -0.167503   3.869865   -0.178034   0.098405  -0.092076
Si   -2.212675  -0.191401   0.000000    0.000000  -0.012015  -0.005238
Si   -2.220962  -0.167503  -3.869865    0.178034   0.098405  -0.092076
Si   -1.122157   0.225095  -5.778321   -0.160253  -0.116460   0.043569
Si    1.122157  -0.225095  -5.778321   -0.160253   0.116460  -0.043569
Si    2.227991   0.129806   7.734611   -0.170939  -0.024366   0.001820
Si   -2.227991  -0.129806   7.734611   -0.170939   0.024366  -0.001820
Si    2.227991   0.129806  -7.734611    0.170939  -0.024366   0.001820
Si   -2.227991  -0.129806  -7.734611    0.170939   0.024366  -0.001820
Si    1.107609  -0.236374   9.601613    0.008175  -0.205866  -0.020863
Si   -1.107609   0.236374   9.601613    0.008175   0.205866   0.020863
Si    1.107609  -0.236374  -9.601613   -0.008175  -0.205866  -0.020863
Si   -1.107609   0.236374  -9.601613   -0.008175   0.205866   0.020863
H    3.684371  -0.195249   7.714860    0.050108   0.003298  -0.002873
H   -3.684371   0.195249   7.714860    0.050108  -0.003298   0.002873
H    3.684371  -0.195249  -7.714860   -0.050108   0.003298  -0.002873
H   -3.684371   0.195249  -7.714860   -0.050108  -0.003298   0.002873
H    1.813746  -0.065396  10.903163    0.075472   0.079394   0.014124
H   -1.813746   0.065396  10.903163    0.075472  -0.079394  -0.014124
H    1.813746  -0.065396 -10.903163   -0.075472   0.079394   0.014124
H   -1.813746   0.065396 -10.903163   -0.075472  -0.079394  -0.014124
H   -3.678924   0.155444   3.862664    0.033820  -0.006283   0.043769
H   -3.670457   0.135972   0.000000    0.000000   0.003389   0.010995
H   -3.678924   0.155444  -3.862664   -0.033820  -0.006283   0.043769
H    3.678924  -0.155444   3.862664    0.033820   0.006283  -0.043769
H    3.670457  -0.135972   0.000000    0.000000  -0.003389  -0.010995
H    3.678924  -0.155444  -3.862664   -0.033820   0.006283  -0.043769
36
Step =   4   Forces - Min =  -0.000112 36 3    Min =   0.000299 20 2
Si    2.218356   0.173452   3.869601   -0.026257  -0.048918   0.052087
Si    2.213739   0.194665   0.000000    0.000000   0.016888   0.010316
Si    2.218356   0.173452  -3.869601    0.026257  -0.048918   0.052087
Si    1.123020  -0.225680   5.781595   -0.011841  -0.006537  -0.033237
Si    1.127343  -0.210393   1.929266   -0.023083   0.010702  -0.015198
Si    1.127343  -0.210393  -1.929266    0.023083   0.010702  -0.015198
Si   -1.123020   0.225680   5.781595   -0.011841   0.006537   0.033237
Si   -1.127343   0.210393   1.929266   -0.023083  -0.010702   0.015198
Si   -1.127343   0.210393  -1.929266    0.023083  -0.010702   0.015198
Si   -2.218356  -0.173452   3.869601   -0.026257   0.048918  -0.052087
Si   -2.213739  -0.194665   0.000000    0.000000  -0.016888  -0.010316
Si   -2.218356  -0.173452  -3.869601    0.026257   0.048918  -0.052087
Si   -1.123020   0.225680  -5.781595    0.011841   0.006537   0.033237
Si    1.123020  -0.225680  -5.781595    0.011841  -0.006537  -0.033237
Si    2.227168   0.124506   7.736415    0.024950  -0.005673   0.006696
Si   -2.227168  -0.124506   7.736415    0.024950   0.005673  -0.006696
Si    2.227168   0.124506  -7.736415   -0.024950  -0.005673   0.006696
Si   -2.227168  -0.124506  -7.736415   -0.024950   0.005673  -0.006696
Si    1.105850  -0.239990   9.606154   -0.028193  -0.059782   0.000142
Si   -1.105850   0.239990   9.606154   -0.028193   0.059782  -0.000142
Si    1.105850  -0.239990  -9.606154    0.028193  -0.059782   0.000142
Si   -1.105850   0.239990  -9.606154    0.028193   0.059782  -0.000142
H    3.682787  -0.204412   7.720715    0.033893   0.002170   0.000796
H   -3.682787   0.204412   7.720715    0.033893  -0.002170  -0.000796
H    3.682787  -0.204412  -7.720715   -0.033893   0.002170   0.000796
H   -3.682787   0.204412  -7.720715   -0.033893  -0.002170  -0.000796
H    1.815970  -0.070234  10.906997    0.009715   0.038926   0.002127
H   -1.815970   0.070234  10.906997    0.009715  -0.038926  -0.002127
H    1.815970  -0.070234 -10.906997   -0.009715   0.038926   0.002127
H   -1.815970   0.070234 -10.906997   -0.009715  -0.038926  -0.002127
H   -3.675033   0.156693   3.864735    0.015455  -0.003850   0.022396
H   -3.671319   0.133524   0.000000    0.000000   0.001541   0.005675
H   -3.675033   0.156693  -3.864735   -0.015455  -0.003850   0.022396
H    3.675033  -0.156693   3.864735    0.015455   0.003850  -0.022396
H    3.671319  -0.133524   0.000000    0.000000  -0.001541  -0.005675
H    3.675033  -0.156693  -3.864735   -0.015455   0.003850  -0.022396
36
Step =   5   Forces - Min =  -0.000020 36 3    Min =   0.000125  1 1
Si    2.215684   0.177854   3.870002    0.025011  -0.003289   0.018206
Si    2.215003   0.196672   0.000000    0.000000   0.017990   0.011761
Si    2.215684   0.177854  -3.870002   -0.025011  -0.003289   0.018206
Si    1.122841  -0.226971   5.783352   -0.019013  -0.011199  -0.019188
Si    1.127691  -0.209246   1.928606   -0.021464  -0.015822  -0.021537
Si    1.127691  -0.209246  -1.928606    0.021464  -0.015822  -0.021537
Si   -1.122841   0.226971   5.783352   -0.019013   0.011199   0.019188
Si   -1.127691   0.209246   1.928606   -0.021464   0.015822   0.021537
Si   -1.127691   0.209246  -1.928606    0.021464   0.015822   0.021537
Si   -2.215684  -0.177854   3.870002    0.025011   0.003289  -0.018206
Si   -2.215003  -0.196672   0.000000    0.000000  -0.017990  -0.011761
Si   -2.215684  -0.177854  -3.870002   -0.025011   0.003289  -0.018206
Si   -1.122841   0.226971  -5.783352    0.019013   0.011199   0.019188
Si    1.122841  -0.226971  -5.783352    0.019013  -0.011199  -0.019188
Si    2.226241   0.121470   7.739475    0.022140  -0.003648   0.004314
Si   -2.226241  -0.121470   7.739475    0.022140   0.003648  -0.004314
Si    2.226241   0.121470  -7.739475   -0.022140  -0.003648   0.004314
Si   -2.226241  -0.121470  -7.739475   -0.022140   0.003648  -0.004314
Si    1.104658  -0.242432   9.609407   -0.011988   0.013055   0.004386
Si   -1.104658   0.242432   9.609407   -0.011988  -0.013055  -0.004386
Si    1.104658  -0.242432  -9.609407    0.011988   0.013055   0.004386
Si   -1.104658   0.242432  -9.609407    0.011988  -0.013055  -0.004386
H    3.681530  -0.209327   7.728847    0.010208   0.000945   0.000826
H   -3.681530   0.209327   7.728847    0.010208  -0.000945  -0.000826
H    3.681530  -0.209327  -7.728847   -0.010208   0.000945   0.000826
H   -3.681530   0.209327  -7.728847   -0.010208  -0.000945  -0.000826
H    1.818934  -0.073635  10.908593   -0.007205   0.011973  -0.003876
H   -1.818934   0.073635  10.908593   -0.007205  -0.011973   0.003876
H    1.818934  -0.073635 -10.908593    0.007205   0.011973  -0.003876
H   -1.818934   0.073635 -10.908593    0.007205  -0.011973   0.003876
H   -3.671196   0.158684   3.867477   -0.000969  -0.001299   0.003948
H   -3.672211   0.133112   0.000000    0.000000  -0.000094   0.000885
H   -3.671196   0.158684  -3.867477    0.000969  -0.001299   0.003948
H    3.671196  -0.158684   3.867477   -0.000969   0.001299  -0.003948
H    3.672211  -0.133112   0.000000    0.000000   0.000094  -0.000885
H    3.671196  -0.158684  -3.867477    0.000969   0.001299  -0.003948
36
Step =   6   Forces - Min =   0.000003 36 3    Min =   0.000075  8 3
Si    2.214665   0.178927   3.870151    0.012998   0.007253   0.006080
Si    2.215773   0.196851   0.000000    0.000000   0.011907   0.009695
Si    2.214665   0.178927  -3.870151   -0.012998   0.007253   0.006080
Si    1.122562  -0.228130   5.783522   -0.003670  -0.001399  -0.009935
Si    1.127591  -0.209924   1.928023   -0.004872  -0.009239  -0.014953
Si    1.127591  -0.209924  -1.928023    0.004872  -0.009239  -0.014953
Si   -1.122562   0.228130   5.783522   -0.003670   0.001399   0.009935
Si   -1.127591   0.209924   1.928023   -0.004872   0.009239   0.014953
Si   -1.127591   0.209924  -1.928023    0.004872   0.009239   0.014953
Si   -2.214665  -0.178927   3.870151    0.012998  -0.007253  -0.006080
Si   -2.215773  -0.196851   0.000000    0.000000  -0.011907  -0.009695
Si   -2.214665  -0.178927  -3.870151   -0.012998  -0.007253  -0.006080
Si   -1.122562   0.228130  -5.783522    0.003670   0.001399   0.009935
Si    1.122562  -0.228130  -5.783522    0.003670  -0.001399  -0.009935
Si    2.225844   0.121451   7.740018   -0.000094  -0.000837   0.002109
Si   -2.225844  -0.121451   7.740018   -0.000094   0.000837  -0.002109
Si    2.225844   0.121451  -7.740018    0.000094  -0.000837   0.002109
Si   -2.225844  -0.121451  -7.740018    0.000094   0.000837  -0.002109
Si    1.104713  -0.242462   9.609828    0.003177   0.007777   0.004220
Si   -1.104713   0.242462   9.609828    0.003177  -0.007777  -0.004220
Si    1.104713  -0.242462  -9.609828   -0.003177   0.007777   0.004220
Si   -1.104713   0.242462  -9.609828   -0.003177  -0.007777  -0.004220
H    3.681200  -0.209228   7.731454    0.001015   0.000155   0.000089
H   -3.681200   0.209228   7.731454    0.001015  -0.000155  -0.000089
H    3.681200  -0.209228  -7.731454   -0.001015   0.000155   0.000089
H   -3.681200   0.209228  -7.731454   -0.001015  -0.000155  -0.000089
H    1.821062  -0.074186  10.907991   -0.004184   0.000086  -0.002897
H   -1.821062   0.074186  10.907991   -0.004184  -0.000086   0.002897
H    1.821062  -0.074186 -10.907991    0.004184   0.000086  -0.002897
H   -1.821062   0.074186 -10.907991    0.004184  -0.000086   0.002897
H   -3.669847   0.159506   3.868100   -0.004326  -0.000378  -0.000602
H   -3.672775   0.133867   0.000000    0.000000  -0.000612   0.000259
H   -3.669847   0.159506  -3.868100    0.004326  -0.000378  -0.000602
H    3.669847  -0.159506   3.868100   -0.004326   0.000378   0.000602
H    3.672775  -0.133867   0.000000    0.000000   0.000612  -0.000259
H    3.669847  -0.159506  -3.868100    0.004326   0.000378   0.000602
36
Step =   7   Forces - Min =   0.000001 36 3    Min =   0.000033  8 3
Si    2.214490   0.178981   3.869973    0.000583   0.005195   0.002796
Si    2.216190   0.196813   0.000000    0.000000   0.004155   0.006035
Si    2.214490   0.178981  -3.869973   -0.000583   0.005195   0.002796
Si    1.122445  -0.228935   5.783205    0.000265  -0.000123  -0.003888
Si    1.127470  -0.210833   1.927680    0.002195  -0.002403  -0.006506
Si    1.127470  -0.210833  -1.927680   -0.002195  -0.002403  -0.006506
Si   -1.122445   0.228935   5.783205    0.000265   0.000123   0.003888
Si   -1.127470   0.210833   1.927680    0.002195   0.002403   0.006506
Si   -1.127470   0.210833  -1.927680   -0.002195   0.002403   0.006506
Si   -2.214490  -0.178981   3.869973    0.000583  -0.005195  -0.002796
Si   -2.216190  -0.196813   0.000000    0.000000  -0.004155  -0.006035
Si   -2.214490  -0.178981  -3.869973   -0.000583  -0.005195  -0.002796
Si   -1.122445   0.228935  -5.783205   -0.000265   0.000123   0.003888
Si    1.122445  -0.228935  -5.783205   -0.000265  -0.000123  -0.003888
Si    2.225671   0.121933   7.739583   -0.001741  -0.000241   0.000504
Si   -2.225671  -0.121933   7.739583   -0.001741   0.000241  -0.000504
Si    2.225671   0.121933  -7.739583    0.001741  -0.000241   0.000504
Si   -2.225671  -0.121933  -7.739583    0.001741   0.000241  -0.000504
Si    1.104922  -0.241888   9.609557    0.002116  -0.000770   0.002640
Si   -1.104922   0.241888   9.609557    0.002116   0.000770  -0.002640
Si    1.104922  -0.241888  -9.609557   -0.002116  -0.000770   0.002640
Si   -1.104922   0.241888  -9.609557   -0.002116   0.000770  -0.002640
H    3.681122  -0.208380   7.731589   -0.000723  -0.000044  -0.000329
H   -3.681122   0.208380   7.731589   -0.000723   0.000044   0.000329
H    3.681122  -0.208380  -7.731589    0.000723  -0.000044  -0.000329
H   -3.681122   0.208380  -7.731589    0.000723   0.000044   0.000329
H    1.821896  -0.073903  10.907355    0.000403  -0.002331  -0.000714
H   -1.821896   0.073903  10.907355    0.000403   0.002331   0.000714
H    1.821896  -0.073903 -10.907355   -0.000403  -0.002331  -0.000714
H   -1.821896   0.073903 -10.907355   -0.000403   0.002331   0.000714
H   -3.669655   0.159654   3.867561   -0.002112   0.000009  -0.000184
H   -3.673106   0.134363   0.000000    0.000000  -0.000207   0.000822
H   -3.669655   0.159654  -3.867561    0.002112   0.000009  -0.000184
H    3.669655  -0.159654   3.867561   -0.002112  -0.000009   0.000184
H    3.673106  -0.134363   0.000000    0.000000   0.000207  -0.000822
H    3.669655  -0.159654  -3.867561    0.002112  -0.000009   0.000184
36
Step =   8   Forces - Min =  -0.000003 36 3    Min =   0.000013  2 3
Si    2.214605   0.179013   3.869710   -0.000931   0.001622   0.001623
Si    2.216307   0.197095   0.000000    0.000000  -0.000499   0.002547
Si    2.214605   0.179013  -3.869710    0.000931   0.001622   0.001623
Si    1.122418  -0.229366   5.782848    0.000573  -0.000601  -0.000415
Si    1.127422  -0.211330   1.927544    0.001498  -0.000592  -0.001526
Si    1.127422  -0.211330  -1.927544   -0.001498  -0.000592  -0.001526
Si   -1.122418   0.229366   5.782848    0.000573   0.000601   0.000415
Si   -1.127422   0.211330   1.927544    0.001498   0.000592   0.001526
Si   -1.127422   0.211330  -1.927544   -0.001498   0.000592   0.001526
Si   -2.214605  -0.179013   3.869710   -0.000931  -0.001622  -0.001623
Si   -2.216307  -0.197095   0.000000    0.000000   0.000499  -0.002547
Si   -2.214605  -0.179013  -3.869710    0.000931  -0.001622  -0.001623
Si   -1.122418   0.229366  -5.782848   -0.000573   0.000601   0.000415
Si    1.122418  -0.229366  -5.782848   -0.000573  -0.000601  -0.000415
Si    2.225581   0.122019   7.739193    0.000605  -0.000680  -0.000508
Si   -2.225581  -0.122019   7.739193    0.000605   0.000680   0.000508
Si    2.225581   0.122019  -7.739193   -0.000605  -0.000680  -0.000508
Si   -2.225581  -0.122019  -7.739193   -0.000605   0.000680   0.000508
Si    1.104957  -0.241525   9.609342   -0.000787   0.001580   0.000731
Si   -1.104957   0.241525   9.609342   -0.000787  -0.001580  -0.000731
Si    1.104957  -0.241525  -9.609342    0.000787   0.001580   0.000731
Si   -1.104957   0.241525  -9.609342    0.000787  -0.001580  -0.000731
H    3.681039  -0.208282   7.731289   -0.000415  -0.000012  -0.000164
H   -3.681039   0.208282   7.731289   -0.000415   0.000012   0.000164
H    3.681039  -0.208282  -7.731289    0.000415  -0.000012  -0.000164
H   -3.681039   0.208282  -7.731289    0.000415   0.000012   0.000164
H    1.821806  -0.073690  10.907209    0.000453  -0.001306  -0.000010
H   -1.821806   0.073690  10.907209    0.000453   0.001306   0.000010
H    1.821806  -0.073690 -10.907209   -0.000453  -0.001306  -0.000010
H   -1.821806   0.073690 -10.907209   -0.000453   0.001306   0.000010
H   -3.669765   0.159672   3.866911    0.000289  -0.000112   0.000509
H   -3.673162   0.134422   0.000000    0.000000  -0.000428   0.000935
H   -3.669765   0.159672  -3.866911   -0.000289  -0.000112   0.000509
H    3.669765  -0.159672   3.866911    0.000289   0.000112  -0.000509
H    3.673162  -0.134422   0.000000    0.000000   0.000428  -0.000935
H    3.669765  -0.159672  -3.866911   -0.000289   0.000112  -0.000509
36
Step =   9   Forces - Min =  -0.000002 36 3    Min =   0.000005 19 2
Si    2.214675   0.179095   3.869666   -0.000635   0.000463   0.000805
Si    2.216281   0.197287   0.000000    0.000000  -0.000956   0.000965
Si    2.214675   0.179095  -3.869666    0.000635   0.000463   0.000805
Si    1.122411  -0.229457   5.782760    0.000501  -0.000694   0.000276
Si    1.127416  -0.211413   1.927552    0.000570  -0.000006  -0.000446
Si    1.127416  -0.211413  -1.927552   -0.000570  -0.000006  -0.000446
Si   -1.122411   0.229457   5.782760    0.000501   0.000694  -0.000276
Si   -1.127416   0.211413   1.927552    0.000570   0.000006   0.000446
Si   -1.127416   0.211413  -1.927552   -0.000570   0.000006   0.000446
Si   -2.214675  -0.179095   3.869666   -0.000635  -0.000463  -0.000805
Si   -2.216281  -0.197287   0.000000    0.000000   0.000956  -0.000965
Si   -2.214675  -0.179095  -3.869666    0.000635  -0.000463  -0.000805
Si   -1.122411   0.229457  -5.782760   -0.000501   0.000694  -0.000276
Si    1.122411  -0.229457  -5.782760   -0.000501  -0.000694   0.000276
Si    2.225571   0.121926   7.739112    0.000429  -0.000152  -0.000569
Si   -2.225571  -0.121926   7.739112    0.000429   0.000152   0.000569
Si    2.225571   0.121926  -7.739112   -0.000429  -0.000152  -0.000569
Si   -2.225571  -0.121926  -7.739112   -0.000429   0.000152   0.000569
Si    1.104957  -0.241468   9.609284   -0.000888   0.001086   0.000223
Si   -1.104957   0.241468   9.609284   -0.000888  -0.001086  -0.000223
Si    1.104957  -0.241468  -9.609284    0.000888   0.001086   0.000223
Si   -1.104957   0.241468  -9.609284    0.000888  -0.001086  -0.000223
H    3.681011  -0.208457   7.731191   -0.000179  -0.000006   0.000043
H   -3.681011   0.208457   7.731191   -0.000179   0.000006  -0.000043
H    3.681011  -0.208457  -7.731191    0.000179  -0.000006   0.000043
H   -3.681011   0.208457  -7.731191    0.000179   0.000006  -0.000043
H    1.821668  -0.073689  10.907225    0.000318  -0.000374  -0.000006
H   -1.821668   0.073689  10.907225    0.000318   0.000374   0.000006
H    1.821668  -0.073689 -10.907225   -0.000318  -0.000374  -0.000006
H   -1.821668   0.073689 -10.907225   -0.000318   0.000374   0.000006
H   -3.669806   0.159741   3.866826    0.000597  -0.000056   0.000378
H   -3.673106   0.134436   0.000000    0.000000  -0.000065   0.000508
H   -3.669806   0.159741  -3.866826   -0.000597  -0.000056   0.000378
H    3.669806  -0.159741   3.866826    0.000597   0.000056  -0.000378
H    3.673106  -0.134436   0.000000    0.000000   0.000065  -0.000508
H    3.669806  -0.159741  -3.866826   -0.000597   0.000056  -0.000378
36
Step =  10   Forces - Min =  -0.000000 36 3    Min =   0.000003 15 2
Si    2.214716   0.179186   3.869685   -0.000353   0.000085  -0.000011
Si    2.216211   0.197417   0.000000    0.000000  -0.000468   0.000004
Si    2.214716   0.179186  -3.869685    0.000353   0.000085  -0.000011
Si    1.122406  -0.229458   5.782753    0.000041  -0.000278   0.000150
Si    1.127416  -0.211418   1.927594   -0.000039   0.000380  -0.000204
Si    1.127416  -0.211418  -1.927594    0.000039   0.000380  -0.000204
Si   -1.122406   0.229458   5.782753    0.000041   0.000278  -0.000150
Si   -1.127416   0.211418   1.927594   -0.000039  -0.000380   0.000204
Si   -1.127416   0.211418  -1.927594    0.000039  -0.000380   0.000204
Si   -2.214716  -0.179186   3.869685   -0.000353  -0.000085   0.000011
Si   -2.216211  -0.197417   0.000000    0.000000   0.000468  -0.000004
Si   -2.214716  -0.179186  -3.869685    0.000353  -0.000085   0.000011
Si   -1.122406   0.229458  -5.782753   -0.000041   0.000278  -0.000150
Si    1.122406  -0.229458  -5.782753   -0.000041  -0.000278   0.000150
Si    2.225591   0.121813   7.739103   -0.000016   0.000507  -0.000269
Si   -2.225591  -0.121813   7.739103   -0.000016  -0.000507   0.000269
Si    2.225591   0.121813  -7.739103    0.000016   0.000507  -0.000269
Si   -2.225591  -0.121813  -7.739103    0.000016  -0.000507   0.000269
Si    1.104958  -0.241480   9.609259   -0.000034  -0.000141   0.000138
Si   -1.104958   0.241480   9.609259   -0.000034   0.000141  -0.000138
Si    1.104958  -0.241480  -9.609259    0.000034  -0.000141   0.000138
Si   -1.104958   0.241480  -9.609259    0.000034   0.000141  -0.000138
H    3.681020  -0.208616   7.731145    0.000002  -0.000039   0.000110
H   -3.681020   0.208616   7.731145    0.000002   0.000039  -0.000110
H    3.681020  -0.208616  -7.731145   -0.000002  -0.000039   0.000110
H   -3.681020   0.208616  -7.731145   -0.000002   0.000039  -0.000110
H    1.821571  -0.073753  10.907260    0.000048   0.000101  -0.000090
H   -1.821571   0.073753  10.907260    0.000048  -0.000101   0.000090
H    1.821571  -0.073753 -10.907260   -0.000048   0.000101  -0.000090
H   -1.821571   0.073753 -10.907260   -0.000048  -0.000101   0.000090
H   -3.669812   0.159829   3.866925    0.000252   0.000116   0.000005
H   -3.673007   0.134474   0.000000    0.000000   0.000135   0.000018
H   -3.669812   0.159829  -3.866925   -0.000252   0.000116   0.000005
H    3.669812  -0.159829   3.866925    0.000252  -0.000116  -0.000005
H    3.673007  -0.134474   0.000000    0.000000  -0.000135  -0.000018
H    3.669812  -0.159829  -3.866925   -0.000252  -0.000116  -0.000005
36
Step =  11   Forces - Min =  -0.000000 36 3    Min =   0.000001 20 2
Si    2.214721   0.179203   3.869683   -0.000158  -0.000092  -0.000035
Si    2.216183   0.197435   0.000000    0.000000  -0.000112  -0.000001
Si    2.214721   0.179203  -3.869683    0.000158  -0.000092  -0.000035
Si    1.122407  -0.229446   5.782751    0.000098  -0.000063   0.000048
Si    1.127416  -0.211431   1.927601   -0.000011   0.000100  -0.000121
Si    1.127416  -0.211431  -1.927601    0.000011   0.000100  -0.000121
Si   -1.122407   0.229446   5.782751    0.000098   0.000063  -0.000048
Si   -1.127416   0.211431   1.927601   -0.000011  -0.000100   0.000121
Si   -1.127416   0.211431  -1.927601    0.000011  -0.000100   0.000121
Si   -2.214721  -0.179203   3.869683   -0.000158   0.000092   0.000035
Si   -2.216183  -0.197435   0.000000    0.000000   0.000112   0.000001
Si   -2.214721  -0.179203  -3.869683    0.000158   0.000092   0.000035
Si   -1.122407   0.229446  -5.782751   -0.000098   0.000063  -0.000048
Si    1.122407  -0.229446  -5.782751   -0.000098  -0.000063   0.000048
Si    2.225610   0.121790   7.739100    0.000142   0.000019  -0.000096
Si   -2.225610  -0.121790   7.739100    0.000142  -0.000019   0.000096
Si    2.225610   0.121790  -7.739100   -0.000142   0.000019  -0.000096
Si   -2.225610  -0.121790  -7.739100   -0.000142  -0.000019   0.000096
Si    1.104960  -0.241482   9.609251    0.000047  -0.000300   0.000229
Si   -1.104960   0.241482   9.609251    0.000047   0.000300  -0.000229
Si    1.104960  -0.241482  -9.609251   -0.000047  -0.000300   0.000229
Si   -1.104960   0.241482  -9.609251   -0.000047   0.000300  -0.000229
H    3.681042  -0.208621   7.731133    0.000021   0.000073  -0.000013
H   -3.681042   0.208621   7.731133    0.000021  -0.000073   0.000013
H    3.681042  -0.208621  -7.731133   -0.000021   0.000073  -0.000013
H   -3.681042   0.208621  -7.731133   -0.000021  -0.000073   0.000013
H    1.821564  -0.073782  10.907262   -0.000198  -0.000025  -0.000103
H   -1.821564   0.073782  10.907262   -0.000198   0.000025   0.000103
H    1.821564  -0.073782 -10.907262    0.000198  -0.000025  -0.000103
H   -1.821564   0.073782 -10.907262    0.000198   0.000025   0.000103
H   -3.669809   0.159829   3.866961    0.000091  -0.000111   0.000025
H   -3.672975   0.134464   0.000000    0.000000  -0.000082   0.000014
H   -3.669809   0.159829  -3.866961   -0.000091  -0.000111   0.000025
H    3.669809  -0.159829   3.866961    0.000091   0.000111  -0.000025
H    3.672975  -0.134464   0.000000    0.000000   0.000082  -0.000014
H    3.669809  -0.159829  -3.866961   -0.000091   0.000111  -0.000025
36
Step =  12   Forces - Min =  -0.000000 36 3    Min =   0.000001 20 2
Si    2.214721   0.179203   3.869683   -0.000087  -0.000131  -0.000076
Si    2.216183   0.197435   0.000000    0.000000  -0.000133   0.000013
Si    2.214721   0.179203  -3.869683    0.000087  -0.000131  -0.000076
Si    1.122407  -0.229446   5.782751    0.000087  -0.000038   0.000132
Si    1.127416  -0.211431   1.927601    0.000055   0.000110  -0.000120
Si    1.127416  -0.211431  -1.927601   -0.000055   0.000110  -0.000120
Si   -1.122407   0.229446   5.782751    0.000087   0.000038  -0.000132
Si   -1.127416   0.211431   1.927601    0.000055  -0.000110   0.000120
Si   -1.127416   0.211431  -1.927601   -0.000055  -0.000110   0.000120
Si   -2.214721  -0.179203   3.869683   -0.000087   0.000131   0.000076
Si   -2.216183  -0.197435   0.000000    0.000000   0.000133  -0.000013
Si   -2.214721  -0.179203  -3.869683    0.000087   0.000131   0.000076
Si   -1.122407   0.229446  -5.782751   -0.000087   0.000038  -0.000132
Si    1.122407  -0.229446  -5.782751   -0.000087  -0.000038   0.000132
Si    2.225610   0.121790   7.739100   -0.000054   0.000079  -0.000166
Si   -2.225610  -0.121790   7.739100   -0.000054  -0.000079   0.000166
Si    2.225610   0.121790  -7.739100    0.000054   0.000079  -0.000166
Si   -2.225610  -0.121790  -7.739100    0.000054  -0.000079   0.000166
Si    1.104960  -0.241482   9.609251   -0.000084  -0.000175   0.000134
Si   -1.104960   0.241482   9.609251   -0.000084   0.000175  -0.000134
Si    1.104960  -0.241482  -9.609251    0.000084  -0.000175   0.000134
Si   -1.104960   0.241482  -9.609251    0.000084   0.000175  -0.000134
H    3.681042  -0.208621   7.731133    0.000046  -0.000022   0.000026
H   -3.681042   0.208621   7.731133    0.000046   0.000022  -0.000026
H    3.681042  -0.208621  -7.731133   -0.000046  -0.000022   0.000026
H   -3.681042   0.208621  -7.731133   -0.000046   0.000022  -0.000026
H    1.821564  -0.073782  10.907262   -0.000025   0.000050  -0.000060
H   -1.821564   0.073782  10.907262   -0.000025  -0.000050   0.000060
H    1.821564  -0.073782 -10.907262    0.000025   0.000050  -0.000060
H   -1.821564   0.073782 -10.907262    0.000025  -0.000050   0.000060
H   -3.669809   0.159829   3.866961    0.000089  -0.000047   0.000005
H   -3.672975   0.134464   0.000000    0.000000  -0.000079   0.000015
H   -3.669809   0.159829  -3.866961   -0.000089  -0.000047   0.000005
H    3.669809  -0.159829   3.866961    0.000089   0.000047  -0.000005
H    3.672975  -0.134464   0.000000    0.000000   0.000079  -0.000015
H    3.669809  -0.159829  -3.866961   -0.000089   0.000047  -0.000005
