iterations/neb0_image06_iter5_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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0.3710848699999971 0.4268189100000015 0.5694162100000000
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0.3394065100000034 0.5027849599999996 0.5340260799999967
0.4136815900000030 0.5780356100000006 0.4187329399999982
0.2341845500000019 0.4863714399999992 0.5566981699999971
0.1785135699999998 0.4033568700000032 0.6799623200000013
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0.5786753499999975 0.3803147699999982 0.4259798000000004
0.5675291700000002 0.2577792599999995 0.2909715300000002
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0.2865427500000024 0.4807837899999967 0.5260801000000015
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0.4613043900000022 0.4898171600000012 0.3515451600000006
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0.2577985699999985 0.3740485399999969 0.3826339100000027
0.2028944099999990 0.3607143600000029 0.3765714299999985
0.1308076400000004 0.4992580600000025 0.6965668499999964
0.1083307399999995 0.4457340100000025 0.6230251400000029
0.5640622800000017 0.3786397200000025 0.2629444800000016
0.6188085799999996 0.3520157999999967 0.2893100599999983
0.6057801199999986 0.2842335899999995 0.4764257200000017
0.5006272400000000 0.4215617899999984 0.4181132800000000
0.5182440099999965 0.4105951599999997 0.5300023799999991
0.5026885199999995 0.3401510999999999 0.4649279400000026
0.4972929099999988 0.1940728800000002 0.2627034799999990
0.4973919400000000 0.2713516000000027 0.2039828300000011
0.4862081500000031 0.2700953599999991 0.3200908100000035
0.5854760699999986 0.1708043200000020 0.3830158100000034
0.5840366199999991 0.2167763599999972 0.1523787499999969
0.6670849599999968 0.4715159699999987 0.5401933699999972
0.6768043100000014 0.4999059100000025 0.3829077999999981
0.6085395899999995 0.6711986400000001 0.6037071200000028
0.6196892500000004 0.5560259499999987 0.6589107900000002
0.5559544600000024 0.6341516700000014 0.4152871300000029
0.6226271199999971 0.7038356899999982 0.4257860700000009
0.6004116800000006 0.5772423100000026 0.2679858099999990
0.6483979899999994 0.6193294400000013 0.2737150600000007
0.7101960700000021 0.5916515500000017 0.6511195400000034
0.7057821499999974 0.6678741599999967 0.6060629099999986
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