./iterations/neb0_image08_iter17_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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0.6536465699999994 0.5939208300000018 0.3701414299999968
0.6186053300000012 0.6126495500000004 0.2779903200000007
0.5322666599999977 0.6424724600000005 0.3790279600000019
0.6194145500000019 0.4906842099999977 0.5072293999999999
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0.5881254999999967 0.5580065099999985 0.5536099699999966
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0.6592604800000004 0.7854827099999966 0.3434181599999988
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0.6468662899999984 0.3272120299999983 0.4149159400000002
0.6413891699999965 0.2497048099999972 0.2892636799999977
0.6919187399999984 0.4081143000000012 0.2965552599999981
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0.4932952200000003 0.2702695199999994 0.1877742699999985
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