iterations/neb0_image01_iter16_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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0.6917501300000026 0.6179021599999999 0.4945656100000022
0.6282214599999989 0.6234452300000015 0.3276111300000011
0.5612107700000024 0.5689941400000009 0.5803490799999977
0.5389979699999969 0.5419926000000004 0.4764091199999996
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0.5412831299999965 0.4140383800000009 0.5863090599999978
0.5613108800000006 0.2952106999999984 0.5917936800000021
0.6202808299999987 0.4320346700000002 0.6819677000000013
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