iterations/neb0_image03_iter12_CONTCAR output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
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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0.1028067800000017 0.4601863099999974 0.6222313299999982
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0.6243361000000007 0.3375540899999976 0.2901258300000009
0.6113142399999987 0.2697591200000033 0.4772092999999984
0.5059418600000001 0.4075244499999968 0.4187480399999970
0.5237545199999971 0.3961220200000000 0.5307984499999989
0.5081934600000011 0.3256994700000035 0.4656850900000009
0.5028510699999984 0.1795918199999988 0.2635434900000035
0.5028998900000019 0.2568589299999999 0.2048179299999973
0.4917492200000027 0.2555876200000000 0.3209357900000001
0.5910494399999990 0.1563679699999980 0.3837982200000027
0.5895642699999968 0.2023193300000017 0.1531182000000015
0.6726362599999973 0.4570659500000005 0.5410436399999980
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0.6140533000000019 0.6566418099999964 0.6043930100000026
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0.5614112599999999 0.6197842699999967 0.4160231199999984
0.6281775599999975 0.6894167000000024 0.4264113899999984
0.6059038900000004 0.5628554999999977 0.2687146199999972
0.6538725899999989 0.6048329799999976 0.2744836000000035
0.7157371899999987 0.5771556999999987 0.6519380299999966
0.7113073900000018 0.6534318499999969 0.6069127299999977
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