iterations/neb0_image04_iter44_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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0.4670177699999982 0.5781125700000018 0.4122670200000016
0.6459064800000007 0.6397745399999977 0.5665743400000025
0.6848778800000019 0.6206918399999992 0.4813939900000008
0.6196206500000017 0.6243672399999980 0.3146462500000027
0.5551941100000022 0.5726290699999979 0.5739299999999972
0.5368178499999985 0.5408491399999988 0.4697967899999966
0.5398088600000008 0.6293007800000012 0.4865583099999995
0.5988348599999966 0.8259681899999975 0.4639609099999973
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0.6951619299999976 0.8015987300000020 0.5093925600000020
0.6519617699999998 0.4168896799999970 0.3459615200000030
0.6798310499999971 0.4013228100000035 0.4977412799999996
0.5337365199999979 0.2886514699999978 0.4044971499999974
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0.5329330300000024 0.4150490999999974 0.5740571400000007
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0.6327376799999982 0.3560474299999967 0.6673758299999974
0.6348335899999995 0.2686353499999967 0.2897030999999970
0.6196129200000016 0.2195188099999967 0.3749489900000000
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