iterations/neb0_image08_iter73_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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0.4370704299999986 0.5731781499999968 0.3386766799999990
0.6449921899999964 0.6484374200000005 0.5444345000000013
0.6847300900000022 0.6358525500000027 0.4624455000000012
0.5994487600000014 0.6245598300000026 0.3021245400000012
0.5681347599999995 0.5952330599999982 0.5784316299999972
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0.6043210599999966 0.2213831299999995 0.3498254699999990
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