12
Step =   1   Forces - Min =   0.000004 12 3    Min =   0.000082  5 2
Si    0.000000  -2.199666   0.195267   -0.014156  -0.008173   0.000517
Si   -1.904967  -1.099833  -0.195267    0.000000  -0.016346  -0.000517
Si   -1.904967   1.099833   0.195267    0.014156  -0.008173   0.000517
Si    0.000000   2.199666  -0.195267    0.014156   0.008173  -0.000517
Si    1.904967   1.099833   0.195267    0.000000   0.016346   0.000517
Si    1.904967  -1.099833  -0.195267   -0.014156   0.008173  -0.000517
H    3.180645   1.836346  -0.043189    0.000000  -0.012647  -0.000838
H    0.000000   3.672692   0.043189   -0.010953  -0.006324   0.000838
H   -3.180645   1.836346  -0.043189   -0.010953   0.006324  -0.000838
H   -3.180645  -1.836346   0.043189    0.000000   0.012647   0.000838
H    0.000000  -3.672692  -0.043189    0.010953   0.006324  -0.000838
H    3.180645  -1.836346   0.043189    0.010953  -0.006324   0.000838
12
Step =   2   Forces - Min =  -0.000003 12 3    Min =   0.000003  7 3
Si    0.000000  -2.199737   0.195227   -0.000217  -0.000125  -0.000561
Si   -1.905028  -1.099869  -0.195227    0.000000  -0.000251   0.000561
Si   -1.905028   1.099869   0.195227    0.000217  -0.000125  -0.000561
Si    0.000000   2.199737  -0.195227    0.000217   0.000125   0.000561
Si    1.905028   1.099869   0.195227    0.000000   0.000251  -0.000561
Si    1.905028  -1.099869  -0.195227   -0.000217   0.000125   0.000561
H    3.180514   1.836271  -0.043384    0.000000   0.000496   0.000627
H    0.000000   3.672541   0.043384    0.000429   0.000248  -0.000627
H   -3.180514   1.836271  -0.043384    0.000429  -0.000248   0.000627
H   -3.180514  -1.836271   0.043384    0.000000  -0.000496  -0.000627
H    0.000000  -3.672541  -0.043384   -0.000429  -0.000248   0.000627
H    3.180514  -1.836271   0.043384   -0.000429   0.000248  -0.000627
12
Step =   3   Forces - Min =  -0.000001 12 3    Min =   0.000002  2 3
Si    0.000000  -2.199756   0.195211   -0.000086  -0.000050  -0.000461
Si   -1.905044  -1.099878  -0.195211    0.000000  -0.000099   0.000461
Si   -1.905044   1.099878   0.195211    0.000086  -0.000050  -0.000461
Si    0.000000   2.199756  -0.195211    0.000086   0.000050   0.000461
Si    1.905044   1.099878   0.195211    0.000000   0.000099  -0.000461
Si    1.905044  -1.099878  -0.195211   -0.000086   0.000050   0.000461
H    3.180522   1.836275  -0.043490    0.000000   0.000187   0.000285
H    0.000000   3.672550   0.043490    0.000162   0.000093  -0.000285
H   -3.180522   1.836275  -0.043490    0.000162  -0.000093   0.000285
H   -3.180522  -1.836275   0.043490    0.000000  -0.000187  -0.000285
H    0.000000  -3.672550  -0.043490   -0.000162  -0.000093   0.000285
H    3.180522  -1.836275   0.043490   -0.000162   0.000093  -0.000285
12
Step =   4   Forces - Min =  -0.000000 12 3    Min =   0.000001  2 3
Si    0.000000  -2.199765   0.195211    0.000236   0.000136  -0.000276
Si   -1.905053  -1.099883  -0.195211    0.000000   0.000272   0.000276
Si   -1.905053   1.099883   0.195211   -0.000236   0.000136  -0.000276
Si    0.000000   2.199765  -0.195211   -0.000236  -0.000136   0.000276
Si    1.905053   1.099883   0.195211    0.000000  -0.000272  -0.000276
Si    1.905053  -1.099883  -0.195211    0.000236  -0.000136   0.000276
H    3.180523   1.836276  -0.043561    0.000000   0.000068   0.000054
H    0.000000   3.672551   0.043561    0.000059   0.000034  -0.000054
H   -3.180523   1.836276  -0.043561    0.000059  -0.000034   0.000054
H   -3.180523  -1.836276   0.043561    0.000000  -0.000068  -0.000054
H    0.000000  -3.672551  -0.043561   -0.000059  -0.000034   0.000054
H    3.180523  -1.836276   0.043561   -0.000059   0.000034  -0.000054
12
Step =   5   Forces - Min =  -0.000000 12 3    Min =   0.000001  2 3
Si    0.000000  -2.199765   0.195211    0.000236   0.000136  -0.000277
Si   -1.905053  -1.099883  -0.195211    0.000000   0.000273   0.000277
Si   -1.905053   1.099883   0.195211   -0.000236   0.000136  -0.000277
Si    0.000000   2.199765  -0.195211   -0.000236  -0.000136   0.000277
Si    1.905053   1.099883   0.195211    0.000000  -0.000273  -0.000277
Si    1.905053  -1.099883  -0.195211    0.000236  -0.000136   0.000277
H    3.180523   1.836276  -0.043561    0.000000   0.000069   0.000055
H    0.000000   3.672551   0.043561    0.000060   0.000034  -0.000055
H   -3.180523   1.836276  -0.043561    0.000060  -0.000034   0.000055
H   -3.180523  -1.836276   0.043561    0.000000  -0.000069  -0.000055
H    0.000000  -3.672551  -0.043561   -0.000060  -0.000034   0.000055
H    3.180523  -1.836276   0.043561   -0.000060   0.000034  -0.000055
