iterations/neb0_image08_iter53_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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0.6392765900000015 0.6445326999999992 0.5430672000000030
0.6851378100000005 0.6334939199999994 0.4659616900000003
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0.5634624899999991 0.5927412799999985 0.5856488299999967
0.5545490499999985 0.5302031399999976 0.5006206899999981
0.5345108599999975 0.6173366900000019 0.4836942499999992
0.5854031399999968 0.8273733899999982 0.4413650400000009
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0.6381401900000014 0.4177344200000022 0.3228843300000008
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0.6056609600000016 0.2215250499999968 0.3517036300000029
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