iterations/neb0_image02_iter39_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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0.1094990799999991 0.4405050000000017 0.2741277800000006
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0.0947420099999974 0.5832021000000012 0.2865124499999965
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0.4411239000000009 0.4546797699999985 0.2460980299999989
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0.3040366099999972 0.4750132799999989 0.5398245499999987
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0.4867921800000019 0.5683298599999986 0.3041286300000010
0.4642044599999977 0.5789118499999972 0.4006922800000012
0.6527670099999980 0.6390185500000030 0.5736787600000000
0.6909252399999986 0.6245371899999981 0.4868320300000022
0.6236997500000001 0.6222545600000018 0.3235928699999988
0.5568953300000032 0.5740212899999975 0.5891037900000029
0.5423522399999996 0.5383592600000000 0.4831249400000033
0.5437863100000015 0.6265111800000014 0.4963871799999993
0.6038861099999977 0.8263284599999992 0.4718059300000021
0.6063266000000027 0.7829771500000007 0.5773063700000023
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0.6571023699999969 0.7496900100000019 0.3070629099999991
0.6998232500000015 0.8015336500000032 0.5157133599999995
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0.6866417700000014 0.4019632899999976 0.5093384600000022
0.5398624600000019 0.2933593599999966 0.4138113899999993
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0.5369283100000004 0.4088222999999971 0.5881411100000022
0.5617145900000011 0.2904283100000029 0.5891657299999977
0.6149126600000017 0.4318014600000026 0.6760676899999964
0.6370612899999983 0.3575865199999981 0.6786344400000033
0.6375710299999966 0.2670223399999969 0.2933561999999981
0.6217710600000004 0.2149791900000011 0.3764736999999982
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