iterations/neb0_image02_iter69_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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0.4674174499999992 0.5785437199999990 0.4113177999999991
0.6511648299999990 0.6388292800000031 0.5759823900000001
0.6890996999999999 0.6182835999999980 0.4903297500000008
0.6254914000000014 0.6240097499999990 0.3235968500000013
0.5588801999999973 0.5695458200000019 0.5764260199999995
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0.6043275099999974 0.8246112200000013 0.4732241900000034
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0.6253489300000012 0.2184853300000000 0.3849002099999979
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