iterations/neb0_image06_iter48_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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0.4494996600000007 0.5824511000000001 0.3990492599999982
0.6413815000000014 0.6414252499999975 0.5555049900000029
0.6848010100000010 0.6258370500000012 0.4731298600000002
0.6116396999999978 0.6244064600000030 0.3055556699999968
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0.6131220799999966 0.2201994899999988 0.3634358199999994
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