18
Step =   1   Forces - Min =   0.001702 18 3    Min =   0.009437  6 2
Si   -0.206865   1.118783   0.000000   -0.361857   0.725163   0.000000
Si    0.206865  -1.118783   0.000000    0.361857  -0.725163   0.000000
Si   -0.198349  -2.209140   1.940351   -1.157031  -0.174130  -0.966653
Si    0.198349   2.209140   1.940351    1.157031   0.174130  -0.966653
Si   -0.198349   1.107904   3.825347   -0.878354  -1.887407   0.846555
Si    0.198349  -1.107904   3.825347    0.878354   1.887407   0.846555
Si    0.198349   2.209140  -1.940351    1.157031   0.174130   0.966653
Si   -0.198349  -2.209140  -1.940351   -1.157031  -0.174130   0.966653
Si   -0.198349   1.107904  -3.825347   -0.878354  -1.887407  -0.846555
Si    0.198349  -1.107904  -3.825347    0.878354   1.887407  -0.846555
H   -0.076102   3.676483   1.936181   -0.421161   0.270052   0.050184
H    0.015487   1.828864  -5.114309    0.264805   0.197756  -0.340316
H   -0.076102   3.676483  -1.936181   -0.421161   0.270052  -0.050184
H    0.076102  -3.676483  -1.936181    0.421161  -0.270052  -0.050184
H   -0.015487  -1.828864  -5.114309   -0.264805  -0.197756  -0.340316
H    0.076102  -3.676483   1.936181    0.421161  -0.270052   0.050184
H   -0.015487  -1.828864   5.114309   -0.264805  -0.197756   0.340316
H    0.015487   1.828864   5.114309    0.264805   0.197756   0.340316
18
Step =   2   Forces - Min =   0.000011 18 3    Min =   0.004484  4 1
Si   -0.194306   1.125417   0.000000   -0.460614   0.429573   0.000000
Si    0.194306  -1.125417   0.000000    0.460614  -0.429573   0.000000
Si   -0.220841  -2.205662   1.947979   -0.896814  -0.157959  -0.365571
Si    0.220841   2.205662   1.947979    0.896814   0.157959  -0.365571
Si   -0.220841   1.094728   3.840642   -0.719723  -0.464981   0.452358
Si    0.220841  -1.094728   3.840642    0.719723   0.464981   0.452358
Si    0.220841   2.205662  -1.947979    0.896814   0.157959   0.365571
Si   -0.220841  -2.205662  -1.947979   -0.896814  -0.157959   0.365571
Si   -0.220841   1.094728  -3.840642   -0.719723  -0.464981  -0.452358
Si    0.220841  -1.094728  -3.840642    0.719723   0.464981  -0.452358
H   -0.107650   3.667171   1.948948   -0.313614   0.018202   0.019970
H    0.006506   1.818680  -5.133089    0.174316   0.072503  -0.002110
H   -0.107650   3.667171  -1.948948   -0.313614   0.018202  -0.019970
H    0.107650  -3.667171  -1.948948    0.313614  -0.018202  -0.019970
H   -0.006506  -1.818680  -5.133089   -0.174316  -0.072503  -0.002110
H    0.107650  -3.667171   1.948948    0.313614  -0.018202   0.019970
H   -0.006506  -1.818680   5.133089   -0.174316  -0.072503   0.002110
H    0.006506   1.818680   5.133089    0.174316   0.072503   0.002110
18
Step =   3   Forces - Min =  -0.000561 18 3    Min =   0.004364  5 2
Si   -0.182172   1.136341   0.000000   -0.476037  -0.263391   0.000000
Si    0.182172  -1.136341   0.000000    0.476037   0.263391   0.000000
Si   -0.271728  -2.201766   1.954288   -0.248170  -0.138771   0.310522
Si    0.271728   2.201766   1.954288    0.248170   0.138771   0.310522
Si   -0.271728   1.076718   3.844406   -0.269860   0.872780  -0.067908
Si    0.271728  -1.076718   3.844406    0.269860  -0.872780  -0.067908
Si    0.271728   2.201766  -1.954288    0.248170   0.138771  -0.310522
Si   -0.271728  -2.201766  -1.954288   -0.248170  -0.138771  -0.310522
Si   -0.271728   1.076718  -3.844406   -0.269860   0.872780   0.067908
Si    0.271728  -1.076718  -3.844406    0.269860  -0.872780   0.067908
H   -0.185250   3.633777   1.958236   -0.049148  -0.037384  -0.034796
H   -0.012273   1.808784  -5.132009    0.023969   0.025265   0.112173
H   -0.185250   3.633777  -1.958236   -0.049148  -0.037384   0.034796
H    0.185250  -3.633777  -1.958236    0.049148   0.037384   0.034796
H    0.012273  -1.808784  -5.132009   -0.023969  -0.025265   0.112173
H    0.185250  -3.633777   1.958236    0.049148   0.037384  -0.034796
H    0.012273  -1.808784   5.132009   -0.023969  -0.025265  -0.112173
H   -0.012273   1.808784   5.132009    0.023969   0.025265  -0.112173
18
Step =   4   Forces - Min =  -0.000341 18 3    Min =   0.002412  5 2
Si   -0.192332   1.136694   0.000000   -0.284080  -0.282211   0.000000
Si    0.192332  -1.136694   0.000000    0.284080   0.282211   0.000000
Si   -0.282640  -2.204630   1.953279   -0.041701  -0.077114   0.256790
Si    0.282640   2.204630   1.953279    0.041701   0.077114   0.256790
Si   -0.282640   1.079412   3.841231   -0.068921   0.482345  -0.112516
Si    0.282640  -1.079412   3.841231    0.068921  -0.482345  -0.112516
Si    0.282640   2.204630  -1.953279    0.041701   0.077114  -0.256790
Si   -0.282640  -2.204630  -1.953279   -0.041701  -0.077114  -0.256790
Si   -0.282640   1.079412  -3.841231   -0.068921   0.482345   0.112516
Si    0.282640  -1.079412  -3.841231    0.068921  -0.482345   0.112516
H   -0.204539   3.627911   1.954155    0.022020  -0.028930  -0.020949
H   -0.011873   1.816710  -5.124094   -0.004594  -0.006003   0.068284
H   -0.204539   3.627911  -1.954155    0.022020  -0.028930   0.020949
H    0.204539  -3.627911  -1.954155   -0.022020   0.028930   0.020949
H    0.011873  -1.816710  -5.124094    0.004594   0.006003   0.068284
H    0.204539  -3.627911   1.954155   -0.022020   0.028930  -0.020949
H    0.011873  -1.816710   5.124094    0.004594   0.006003  -0.068284
H   -0.011873   1.816710   5.124094   -0.004594  -0.006003  -0.068284
18
Step =   5   Forces - Min =   0.000029 18 3    Min =   0.000402  2 1
Si   -0.207246   1.133348   0.000000   -0.080346  -0.060750   0.000000
Si    0.207246  -1.133348   0.000000    0.080346   0.060750   0.000000
Si   -0.282278  -2.206460   1.950936   -0.035194  -0.006022   0.037089
Si    0.282278   2.206460   1.950936    0.035194   0.006022   0.037089
Si   -0.282278   1.084380   3.837182   -0.039615   0.011289  -0.042730
Si    0.282278  -1.084380   3.837182    0.039615  -0.011289  -0.042730
Si    0.282278   2.206460  -1.950936    0.035194   0.006022  -0.037089
Si   -0.282278  -2.206460  -1.950936   -0.035194  -0.006022  -0.037089
Si   -0.282278   1.084380  -3.837182   -0.039615   0.011289   0.042730
Si    0.282278  -1.084380  -3.837182    0.039615  -0.011289   0.042730
H   -0.199817   3.631075   1.949882   -0.000117  -0.002982   0.002665
H   -0.007044   1.823371  -5.117111    0.009340  -0.010953  -0.005720
H   -0.199817   3.631075  -1.949882   -0.000117  -0.002982  -0.002665
H    0.199817  -3.631075  -1.949882    0.000117   0.002982  -0.002665
H    0.007044  -1.823371  -5.117111   -0.009340   0.010953  -0.005720
H    0.199817  -3.631075   1.949882    0.000117   0.002982   0.002665
H    0.007044  -1.823371   5.117111   -0.009340   0.010953   0.005720
H   -0.007044   1.823371   5.117111    0.009340  -0.010953   0.005720
18
Step =   6   Forces - Min =   0.000076 18 3    Min =   0.000227  3 1
Si   -0.213370   1.132385   0.000000    0.032599   0.000509   0.000000
Si    0.213370  -1.132385   0.000000   -0.032599  -0.000509   0.000000
Si   -0.287778  -2.205857   1.949891    0.045457  -0.005576  -0.011456
Si    0.287778   2.205857   1.949891   -0.045457   0.005576  -0.011456
Si   -0.287778   1.083623   3.833085    0.034384  -0.003353  -0.000131
Si    0.287778  -1.083623   3.833085   -0.034384   0.003353  -0.000131
Si    0.287778   2.205857  -1.949891   -0.045457   0.005576   0.011456
Si   -0.287778  -2.205857  -1.949891    0.045457  -0.005576   0.011456
Si   -0.287778   1.083623  -3.833085    0.034384  -0.003353   0.000131
Si    0.287778  -1.083623  -3.833085   -0.034384   0.003353   0.000131
H   -0.200938   3.628534   1.949022    0.016626   0.010481   0.000592
H   -0.007128   1.821588  -5.112796   -0.008120  -0.006909  -0.015278
H   -0.200938   3.628534  -1.949022    0.016626   0.010481  -0.000592
H    0.200938  -3.628534  -1.949022   -0.016626  -0.010481  -0.000592
H    0.007128  -1.821588  -5.112796    0.008120   0.006909  -0.015278
H    0.200938  -3.628534   1.949022   -0.016626  -0.010481   0.000592
H    0.007128  -1.821588   5.112796    0.008120   0.006909   0.015278
H   -0.007128   1.821588   5.112796   -0.008120  -0.006909   0.015278
18
Step =   7   Forces - Min =   0.000023 18 3    Min =   0.000032  7 3
Si   -0.211826   1.132477   0.000000   -0.006301   0.001377   0.000000
Si    0.211826  -1.132477   0.000000    0.006301  -0.001377   0.000000
Si   -0.284832  -2.206194   1.950160   -0.003892  -0.004382  -0.006338
Si    0.284832   2.206194   1.950160    0.003892   0.004382  -0.006338
Si   -0.284832   1.084102   3.834458   -0.005477  -0.004232  -0.000771
Si    0.284832  -1.084102   3.834458    0.005477   0.004232  -0.000771
Si    0.284832   2.206194  -1.950160    0.003892   0.004382   0.006338
Si   -0.284832  -2.206194  -1.950160   -0.003892  -0.004382   0.006338
Si   -0.284832   1.084102  -3.834458   -0.005477  -0.004232   0.000771
Si    0.284832  -1.084102  -3.834458    0.005477   0.004232   0.000771
H   -0.197211   3.630966   1.949546    0.000258   0.000199   0.000289
H   -0.006621   1.821224  -5.115069    0.001496  -0.005550  -0.004563
H   -0.197211   3.630966  -1.949546    0.000258   0.000199  -0.000289
H    0.197211  -3.630966  -1.949546   -0.000258  -0.000199  -0.000289
H    0.006621  -1.821224  -5.115069   -0.001496   0.005550  -0.004563
H    0.197211  -3.630966   1.949546   -0.000258  -0.000199   0.000289
H    0.006621  -1.821224   5.115069   -0.001496   0.005550   0.004563
H   -0.006621   1.821224   5.115069    0.001496  -0.005550   0.004563
18
Step =   8   Forces - Min =   0.000004 18 3    Min =   0.000011  4 2
Si   -0.212339   1.132498   0.000000    0.001639   0.000159   0.000000
Si    0.212339  -1.132498   0.000000   -0.001639  -0.000159   0.000000
Si   -0.285221  -2.206329   1.949977    0.000908  -0.002150  -0.001194
Si    0.285221   2.206329   1.949977   -0.000908   0.002150  -0.001194
Si   -0.285221   1.083975   3.834069    0.001661   0.002148   0.000147
Si    0.285221  -1.083975   3.834069   -0.001661  -0.002148   0.000147
Si    0.285221   2.206329  -1.949977   -0.000908   0.002150   0.001194
Si   -0.285221  -2.206329  -1.949977    0.000908  -0.002150   0.001194
Si   -0.285221   1.083975  -3.834069    0.001661   0.002148  -0.000147
Si    0.285221  -1.083975  -3.834069   -0.001661  -0.002148  -0.000147
H   -0.196789   3.631139   1.949464    0.000030  -0.000034  -0.000848
H   -0.006507   1.820142  -5.115189   -0.000199  -0.001873  -0.000830
H   -0.196789   3.631139  -1.949464    0.000030  -0.000034   0.000848
H    0.196789  -3.631139  -1.949464   -0.000030   0.000034   0.000848
H    0.006507  -1.820142  -5.115189    0.000199   0.001873  -0.000830
H    0.196789  -3.631139   1.949464   -0.000030   0.000034  -0.000848
H    0.006507  -1.820142   5.115189    0.000199   0.001873   0.000830
H   -0.006507   1.820142   5.115189   -0.000199  -0.001873   0.000830
18
Step =   9   Forces - Min =   0.000001 18 3    Min =   0.000011  2 2
Si   -0.212342   1.132525   0.000000    0.000707  -0.002127   0.000000
Si    0.212342  -1.132525   0.000000   -0.000707   0.002127   0.000000
Si   -0.285103  -2.206486   1.949901   -0.000273  -0.000813   0.001091
Si    0.285103   2.206486   1.949901    0.000273   0.000813   0.001091
Si   -0.285103   1.084008   3.834016    0.001081   0.000491  -0.000994
Si    0.285103  -1.084008   3.834016   -0.001081  -0.000491  -0.000994
Si    0.285103   2.206486  -1.949901    0.000273   0.000813  -0.001091
Si   -0.285103  -2.206486  -1.949901   -0.000273  -0.000813  -0.001091
Si   -0.285103   1.084008  -3.834016    0.001081   0.000491   0.000994
Si    0.285103  -1.084008  -3.834016   -0.001081  -0.000491   0.000994
H   -0.196894   3.631293   1.949316   -0.000347  -0.000182  -0.000546
H   -0.006418   1.819832  -5.115332   -0.000071  -0.000434  -0.000115
H   -0.196894   3.631293  -1.949316   -0.000347  -0.000182   0.000546
H    0.196894  -3.631293  -1.949316    0.000347   0.000182   0.000546
H    0.006418  -1.819832  -5.115332    0.000071   0.000434  -0.000115
H    0.196894  -3.631293   1.949316    0.000347   0.000182  -0.000546
H    0.006418  -1.819832   5.115332    0.000071   0.000434   0.000115
H   -0.006418   1.819832   5.115332   -0.000071  -0.000434   0.000115
18
Step =  10   Forces - Min =  -0.000001 18 3    Min =   0.000008  2 2
Si   -0.212318   1.132522   0.000000   -0.000025  -0.001699   0.000000
Si    0.212318  -1.132522   0.000000    0.000025   0.001699   0.000000
Si   -0.285054  -2.206590   1.949854   -0.000385  -0.000443   0.001071
Si    0.285054   2.206590   1.949854    0.000385   0.000443   0.001071
Si   -0.285054   1.084018   3.833933    0.000607  -0.000398  -0.000482
Si    0.285054  -1.084018   3.833933   -0.000607   0.000398  -0.000482
Si    0.285054   2.206590  -1.949854    0.000385   0.000443  -0.001071
Si   -0.285054  -2.206590  -1.949854   -0.000385  -0.000443  -0.001071
Si   -0.285054   1.084018  -3.833933    0.000607  -0.000398   0.000482
Si    0.285054  -1.084018  -3.833933   -0.000607   0.000398   0.000482
H   -0.197161   3.631321   1.949182   -0.000111  -0.000058  -0.000165
H   -0.006433   1.819688  -5.115347   -0.000123   0.000033   0.000121
H   -0.197161   3.631321  -1.949182   -0.000111  -0.000058   0.000165
H    0.197161  -3.631321  -1.949182    0.000111   0.000058   0.000165
H    0.006433  -1.819688  -5.115347    0.000123  -0.000033   0.000121
H    0.197161  -3.631321   1.949182    0.000111   0.000058  -0.000165
H    0.006433  -1.819688   5.115347    0.000123  -0.000033  -0.000121
H   -0.006433   1.819688   5.115347   -0.000123   0.000033  -0.000121
18
Step =  11   Forces - Min =  -0.000000 18 3    Min =   0.000002  6 2
Si   -0.212298   1.132513   0.000000   -0.000174  -0.000247   0.000000
Si    0.212298  -1.132513   0.000000    0.000174   0.000247   0.000000
Si   -0.285046  -2.206637   1.949848   -0.000181  -0.000163   0.000099
Si    0.285046   2.206637   1.949848    0.000181   0.000163   0.000099
Si   -0.285046   1.084014   3.833887    0.000214  -0.000362   0.000016
Si    0.285046  -1.084014   3.833887   -0.000214   0.000362   0.000016
Si    0.285046   2.206637  -1.949848    0.000181   0.000163  -0.000099
Si   -0.285046  -2.206637  -1.949848   -0.000181  -0.000163  -0.000099
Si   -0.285046   1.084014  -3.833887    0.000214  -0.000362  -0.000016
Si    0.285046  -1.084014  -3.833887   -0.000214   0.000362  -0.000016
H   -0.197318   3.631318   1.949133    0.000055   0.000012   0.000028
H   -0.006507   1.819653  -5.115333   -0.000063   0.000081   0.000004
H   -0.197318   3.631318  -1.949133    0.000055   0.000012  -0.000028
H    0.197318  -3.631318  -1.949133   -0.000055  -0.000012  -0.000028
H    0.006507  -1.819653  -5.115333    0.000063  -0.000081   0.000004
H    0.197318  -3.631318   1.949133   -0.000055  -0.000012   0.000028
H    0.006507  -1.819653   5.115333    0.000063  -0.000081  -0.000004
H   -0.006507   1.819653   5.115333   -0.000063   0.000081  -0.000004
18
Step =  12   Forces - Min =   0.000000 18 3    Min =   0.000001  6 2
Si   -0.212298   1.132513   0.000000   -0.000134  -0.000168   0.000000
Si    0.212298  -1.132513   0.000000    0.000134   0.000168   0.000000
Si   -0.285046  -2.206637   1.949848   -0.000136  -0.000187   0.000058
Si    0.285046   2.206637   1.949848    0.000136   0.000187   0.000058
Si   -0.285046   1.084014   3.833887    0.000173  -0.000275  -0.000072
Si    0.285046  -1.084014   3.833887   -0.000173   0.000275  -0.000072
Si    0.285046   2.206637  -1.949848    0.000136   0.000187  -0.000058
Si   -0.285046  -2.206637  -1.949848   -0.000136  -0.000187  -0.000058
Si   -0.285046   1.084014  -3.833887    0.000173  -0.000275   0.000072
Si    0.285046  -1.084014  -3.833887   -0.000173   0.000275   0.000072
H   -0.197318   3.631318   1.949133    0.000080  -0.000056   0.000032
H   -0.006507   1.819653  -5.115333   -0.000049   0.000110  -0.000064
H   -0.197318   3.631318  -1.949133    0.000080  -0.000056  -0.000032
H    0.197318  -3.631318  -1.949133   -0.000080   0.000056  -0.000032
H    0.006507  -1.819653  -5.115333    0.000049  -0.000110  -0.000064
H    0.197318  -3.631318   1.949133   -0.000080   0.000056   0.000032
H    0.006507  -1.819653   5.115333    0.000049  -0.000110   0.000064
H   -0.006507   1.819653   5.115333   -0.000049   0.000110   0.000064
