./iterations/neb0_image03_iter15_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
0.2076731800000005 0.5282367499999978 0.3140260999999995
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0.3674372999999989 0.4233434900000006 0.4726841100000030
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0.6230488599999973 0.6243849000000026 0.3192530399999995
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0.5340757100000033 0.5428824700000021 0.4681795600000029
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0.6018146999999985 0.8251156099999974 0.4691125399999976
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0.5561435099999983 0.2961764399999964 0.5834732499999973
0.6151171699999978 0.4330081900000025 0.6736315200000007
0.6355778200000017 0.3552913999999987 0.6718295599999990
0.6380693799999975 0.2681040200000027 0.2951674400000002
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