iterations/neb0_image06_iter58_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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0.3764700099999985 0.4203766600000023 0.4879222400000032
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0.1238935200000029 0.4380687499999993 0.2933536099999969
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0.3625077499999989 0.5968093800000034 0.4259552899999974
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0.4442047599999981 0.5849968200000006 0.3842763600000012
0.6439716399999966 0.6429841499999966 0.5549217100000021
0.6870695200000014 0.6292561400000025 0.4745210700000015
0.6098435999999978 0.6238043500000003 0.3065323100000015
0.5634896299999994 0.5855952900000005 0.5847864999999999
0.5451625600000014 0.5330104100000028 0.4942880299999999
0.5373995200000010 0.6215180000000018 0.4881187299999965
0.5919018900000026 0.8265462399999990 0.4520750699999994
0.5949973600000007 0.7820423699999992 0.5541119900000027
0.5605264399999967 0.7524573999999973 0.4666716600000029
0.6439210699999975 0.7527333900000031 0.2868672900000035
0.6882467300000030 0.8055718199999973 0.4993784300000002
0.6447791200000026 0.4168960200000029 0.3342732400000017
0.6735216900000012 0.4003567399999994 0.4859458299999986
0.5266940099999999 0.2895225099999976 0.3937909400000024
0.5603076200000032 0.3645714299999980 0.2816099599999973
0.5261358699999974 0.4163624199999987 0.5652698999999970
0.5462623800000017 0.2975899300000009 0.5674239399999976
0.6048615099999992 0.4348486600000001 0.6586487200000022
0.6263417799999971 0.3572924699999973 0.6566772999999984
0.6274219900000020 0.2697534099999999 0.2776471600000008
0.6121993599999982 0.2199773399999998 0.3620339000000001
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