./iterations/neb0_image05_iter18_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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0.4735038099999969 0.5770401199999995 0.4211117999999985
0.6431535500000010 0.6400710699999976 0.5630717599999997
0.6814768799999982 0.6199220900000029 0.4776349799999977
0.6177250000000001 0.6252407099999999 0.3108145699999980
0.5513091400000008 0.5712904299999977 0.5653538700000027
0.5308038200000027 0.5432506399999966 0.4614079199999992
0.5366162299999999 0.6306396599999999 0.4809531399999969
0.5965540300000001 0.8260972300000020 0.4605607299999974
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0.6772573800000004 0.4018143999999992 0.4934094099999982
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0.6327874099999988 0.2690892800000029 0.2865890899999997
0.6176920799999976 0.2201810999999978 0.3720301600000013
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