iterations/neb0_image02_iter33_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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0.4044160500000018 0.3895464599999983 0.5077721400000001
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0.3516062099999999 0.4920814399999998 0.5978584799999993
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0.4673072399999967 0.5783717300000006 0.4106384099999971
0.6510398400000028 0.6386581900000010 0.5758321699999982
0.6892467400000015 0.6185619800000026 0.4902305499999997
0.6255630799999992 0.6238436599999986 0.3234725599999990
0.5586063399999972 0.5696477999999985 0.5766831199999984
0.5367018999999971 0.5422803800000011 0.4726654999999980
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0.6043959300000026 0.8247015500000003 0.4732716999999980
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0.7006687100000022 0.8002370499999998 0.5181992500000021
0.6574605699999978 0.4156273999999982 0.3545512399999993
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0.5392894699999999 0.2875032500000003 0.4138125300000013
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0.5588394899999969 0.2955058699999995 0.5877047899999965
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0.6383267499999974 0.3546960199999987 0.6762156699999977
0.6405451099999979 0.2675872200000029 0.2991508799999991
0.6254318100000020 0.2187314800000024 0.3843937099999977
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