iterations/neb0_image09_iter30_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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0.2762427299999999 0.3950034200000019 0.2921592100000012
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0.3685225799999969 0.5374391499999973 0.3742573299999989
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0.6014162999999968 0.5792191199999976 0.4305557599999972
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0.1195000800000017 0.4601963400000031 0.1920475800000006
0.1304799500000016 0.4363214799999966 0.3042847899999970
0.1683849499999965 0.4140718600000000 0.2185111800000001
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0.1138146899999981 0.5821802700000021 0.3130888399999989
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0.4820601699999969 0.4265868600000005 0.4230435999999997
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0.3229630200000031 0.4746907299999990 0.5742731599999971
0.3708336799999969 0.4887424699999983 0.6294969100000003
0.4962716000000000 0.5658574799999982 0.3258133000000001
0.4632118399999996 0.5795658899999978 0.4205795800000018
0.6332278499999973 0.6421556900000027 0.5436904399999989
0.6764280200000030 0.6252086499999976 0.4609904599999979
0.6049327799999986 0.6263908700000016 0.2933165700000018
0.5482687900000016 0.5809063000000023 0.5640094500000004
0.5330076700000035 0.5375065899999996 0.4584084800000028
0.5286618299999972 0.6285894299999981 0.4689675899999983
0.5853670899999983 0.8278221200000004 0.4421909300000024
0.5881288699999985 0.7832052099999984 0.5444795200000030
0.5539270700000003 0.7535576200000023 0.4564179199999998
0.6371858799999970 0.7537903699999973 0.2780030099999991
0.6816655699999998 0.8045902100000006 0.4875803600000026
0.6383433999999966 0.4188504899999970 0.3231392799999995
0.6663494900000018 0.4033467000000002 0.4753524099999993
0.5201945499999994 0.2906413400000005 0.3828285900000026
0.5537156400000001 0.3656828200000035 0.2706026800000032
0.5203543100000019 0.4179975099999993 0.5542228999999992
0.5395960099999968 0.2989871999999991 0.5567125500000003
0.5985688399999987 0.4359016599999990 0.6471673499999966
0.6195881200000031 0.3582153899999980 0.6457602999999992
0.6215026899999998 0.2710587099999984 0.2681453100000013
0.6063925500000025 0.2220591299999981 0.3534084699999980
0.00000000E+00 0.00000000E+00 0.00000000E+00
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