./iterations/neb0_image07_iter43_CONTCAR output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
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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0.6211502299999978 0.4943969799999977 0.5086601499999972
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0.6281543500000026 0.7744831500000018 0.5236033300000003
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0.5345715899999988 0.2157513499999979 0.1945431500000012
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