iterations/neb0_image05_iter2_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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0.3375921599999998 0.5076320000000010 0.5337488400000012
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0.2323418900000007 0.4912578300000021 0.5564221500000031
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0.2282974800000019 0.3425261599999985 0.5239191900000009
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0.2010406300000014 0.3655575100000021 0.3762961700000034
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0.1064762199999976 0.4505822300000020 0.6227543999999980
0.5659161299999980 0.3737915600000008 0.2632295399999975
0.6206590000000034 0.3471691600000000 0.2895826099999965
0.6076303299999992 0.2793795799999970 0.4766965000000027
0.5021878900000019 0.4172605700000034 0.4182338000000030
0.5200848300000018 0.4057720200000006 0.5303046000000009
0.5045128399999967 0.3353823699999978 0.4651700900000009
0.4991417700000014 0.1892294399999983 0.2629668499999980
0.4992480499999985 0.2665152300000031 0.2042472799999970
0.4880560599999981 0.2652614599999978 0.3203505399999997
0.5873190800000003 0.1659590499999979 0.3832882000000026
0.5858894899999996 0.2119293000000013 0.1526541300000019
0.6689386700000028 0.4666624700000028 0.5404740900000036
0.6786653200000003 0.4950482599999972 0.3831856600000023
0.6104133400000009 0.6663647299999980 0.6040123499999979
0.6215588100000033 0.5511919500000033 0.6592393999999970
0.5578168500000018 0.6292977299999976 0.4156024099999982
0.6244816399999991 0.6989876900000027 0.4261256099999997
0.6022871899999984 0.5724217599999974 0.2683269500000023
0.6502249999999989 0.6144787500000035 0.2740330700000015
0.7120749700000033 0.5867653399999995 0.6514207700000014
0.7076535599999971 0.6630718799999968 0.6063024600000020
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