iterations/neb0_image06_iter74_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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0.6428261499999977 0.6423547699999972 0.5580875799999987
0.6801963200000003 0.6227963099999982 0.4723330599999969
0.6132746099999977 0.6261429500000020 0.3067786000000012
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0.5327377799999979 0.5401984100000021 0.4738964599999989
0.5342110799999986 0.6283807000000010 0.4815548699999965
0.5935331800000014 0.8257816500000033 0.4543297499999994
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