iterations/neb0_image04_iter65_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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0.1171614200000022 0.4393258400000022 0.2833145500000001
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0.4610080699999983 0.5807258199999978 0.4050227800000030
0.6474201699999966 0.6410855299999980 0.5660080299999990
0.6869936699999997 0.6232060399999995 0.4814469299999971
0.6181467800000036 0.6238250700000023 0.3149618400000023
0.5586601899999977 0.5755057300000033 0.5790251100000035
0.5381148100000033 0.5382216699999987 0.4788315200000000
0.5400739099999967 0.6270968999999980 0.4890459599999986
0.5984550599999992 0.8261358000000030 0.4626837599999973
0.6015476899999967 0.7813393599999969 0.5646801099999976
0.5670367499999998 0.7518182499999995 0.4772847699999971
0.6507103900000004 0.7514990499999996 0.2984708199999986
0.6947018899999975 0.8028296199999971 0.5093154899999988
0.6517551800000021 0.4168328299999970 0.3455162899999991
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0.5332117499999995 0.2892669599999991 0.4038745000000006
0.5667806000000013 0.3640034700000001 0.2913118900000029
0.5323390000000003 0.4141483000000008 0.5738929999999982
0.5534991700000020 0.2959384099999980 0.5776676300000005
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0.6185490299999969 0.2193214600000033 0.3729239399999997
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