iterations/neb0_image01_iter42_CONTCAR output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
No title
1.00000000000000
30.0000000000000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 20.0000000000000000 0.0000000000000000
0.0000000000000000 0.0000000000000000 15.0000000000000000
C Si O N H
6 10 8 6 42
Direct
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0.6920141700000002 0.6209258599999998 0.4934685599999966
0.6282270299999979 0.6230246300000033 0.3272946499999989
0.5594140999999979 0.5700087100000033 0.5827802000000020
0.5387180999999970 0.5413791000000003 0.4788422600000004
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0.6065924899999970 0.8253512699999987 0.4770176099999972
0.6099880399999975 0.7801337900000007 0.5795281400000007
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0.7028681999999975 0.8011507399999971 0.5235388400000005
0.6601691199999991 0.4156635000000009 0.3601466699999989
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0.5752413000000018 0.3622731099999967 0.3054704700000030
0.5400149299999981 0.4113550799999999 0.5873223700000025
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0.6195868699999991 0.4324731499999999 0.6802263800000006
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0.6415841299999983 0.2674655599999980 0.3014613900000001
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