iterations/neb0_image04_iter62_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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0.6473904200000007 0.6410470200000020 0.5661148100000020
0.6869601799999998 0.6230796400000003 0.4815665499999966
0.6182440500000013 0.6238424499999979 0.3150250899999989
0.5584954999999994 0.5753009199999966 0.5781344099999970
0.5374479099999974 0.5385732700000005 0.4780677899999972
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0.5985017100000007 0.8260999600000005 0.4628441099999989
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0.6518044999999972 0.4167823299999966 0.3455064699999966
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0.5668458099999967 0.3639948799999999 0.2913634800000011
0.5324460000000002 0.4141607600000015 0.5738716299999993
0.5535033999999968 0.2959961500000006 0.5777647500000000
0.6115594999999985 0.4338827799999976 0.6676735799999989
0.6323256000000015 0.3563460000000021 0.6667960199999996
0.6340874899999989 0.2686476100000021 0.2883045700000011
0.6186752200000001 0.2193049299999998 0.3731486900000007
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