iterations/neb0_image07_iter31_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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0.2706188399999974 0.3959859499999965 0.2830969400000001
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0.1719466300000008 0.5347761100000028 0.2508334600000026
0.3636613500000010 0.5385245800000007 0.3656536100000025
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0.3780054400000026 0.4207930000000033 0.4910539099999980
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0.1139002899999966 0.4612471000000014 0.1829773799999970
0.1248768399999989 0.4373706800000008 0.2952447300000003
0.1627955599999993 0.4151409400000006 0.2094776799999991
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0.3801065600000015 0.5582922099999976 0.2758099999999999
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0.3175073499999996 0.4757110600000019 0.5649883900000034
0.3651424199999980 0.4896754299999984 0.6200627999999995
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0.4691862800000024 0.5779821499999969 0.4213214700000023
0.6380030799999972 0.6411233700000025 0.5534756400000020
0.6783116599999985 0.6223150900000007 0.4690392600000024
0.6114044300000003 0.6258718899999991 0.3019165799999968
0.5495998999999969 0.5757311500000029 0.5643980299999996
0.5319237900000005 0.5405581699999971 0.4603043899999975
0.5326231199999967 0.6298697599999983 0.4749901499999964
0.5909149200000030 0.8270415100000008 0.4513269899999983
0.5936927400000016 0.7822665300000011 0.5536973099999969
0.5595248099999992 0.7526112999999981 0.4656031299999981
0.6428682299999977 0.7527925300000007 0.2873279200000027
0.6871930300000031 0.8030556599999983 0.4964282400000002
0.6439153299999987 0.4180599399999991 0.3325070900000000
0.6717596700000001 0.4026673799999969 0.4843656700000025
0.5257626900000005 0.2896834499999983 0.3919859700000003
0.5593464199999971 0.3646967500000002 0.2794147600000016
0.5253920700000023 0.4169386599999996 0.5614530100000010
0.5451972400000002 0.2980637200000018 0.5658003599999972
0.6040743399999968 0.4349875799999978 0.6560924899999989
0.6248142800000025 0.3571787099999995 0.6543053799999967
0.6270755099999974 0.2700045599999967 0.2773036299999987
0.6119968499999970 0.2210669400000000 0.3624416500000009
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