./iterations/neb0_image05_iter34_CONTCAR output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
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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0.3613385399999984 0.4543381399999973 0.5578360000000018
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0.6593337899999980 0.6085780100000022 0.3687851299999991
0.6244542800000019 0.6273274300000011 0.2767341099999996
0.5378242600000007 0.6529858299999987 0.3787485499999974
0.6250957900000031 0.5053249699999967 0.5063093300000006
0.5667425600000016 0.4968310699999989 0.5227662300000020
0.5938206200000025 0.5726798299999984 0.5524770500000002
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0.5386959800000000 0.2261669399999988 0.1936621999999986
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