iterations/neb0_image08_iter6_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
0.2207760599999986 0.5258415400000018 0.3353026799999981
0.2727532400000001 0.3956645900000026 0.2864069499999999
0.1425499200000004 0.4546113600000012 0.2365431899999990
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0.2747509900000011 0.4888230700000022 0.2934706599999970
0.1741101100000009 0.5343232499999999 0.2542661100000032
0.3661796800000019 0.5379041200000003 0.3695422300000004
0.4539911000000032 0.4725816899999984 0.3687530699999968
0.3803616499999976 0.4211772499999995 0.4944825500000007
0.6004257100000032 0.5763544100000004 0.4305649699999989
0.6371032600000035 0.7266454900000028 0.4326288800000029
0.6301368900000028 0.4232699800000006 0.4258288999999991
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0.5599951599999997 0.3679894599999969 0.5496755899999997
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0.3044779499999990 0.3766397200000000 0.2596519900000018
0.2459872200000035 0.3785577599999996 0.2417288600000020
0.1160385900000023 0.4607890699999970 0.1864704700000033
0.1270193000000006 0.4368497199999979 0.2987158199999982
0.1649651199999980 0.4148049799999995 0.2129052000000016
0.1801037899999969 0.5832401500000017 0.1167802499999979
0.1103705399999981 0.5831032700000023 0.3072607699999992
0.3825666600000019 0.5580368899999968 0.2796444700000009
0.3650597000000033 0.5968807499999969 0.4305323500000000
0.4794304699999969 0.4216290499999999 0.4226997299999979
0.4575593599999976 0.4561015800000021 0.2733885800000024
0.3490876099999980 0.3717744300000021 0.4536191799999969
0.4200437800000003 0.3866828299999980 0.5331354799999986
0.3198587199999992 0.4752035799999987 0.5683783400000024
0.3673982700000025 0.4890792899999994 0.6232508300000035
0.4997568799999996 0.5683073599999986 0.3304556000000005
0.4796082800000008 0.5762773100000018 0.4320328800000013
0.6352477900000011 0.6415045099999972 0.5504138000000012
0.6735189700000035 0.6212549700000025 0.4649537499999994
0.6099407399999990 0.6268541700000014 0.2980241899999996
0.5434654100000031 0.5726261699999995 0.5522827500000034
0.5255256200000034 0.5442401899999965 0.4508057199999982
0.5288131599999986 0.6321554499999991 0.4681037699999990
0.5887059499999978 0.8275185899999968 0.4478879300000003
0.5915201500000009 0.7826107599999972 0.5502179699999985
0.5573876400000017 0.7529430399999981 0.4620846099999980
0.6407686100000021 0.7532799000000026 0.2841221899999979
0.6850131400000024 0.8030406999999968 0.4928293700000026
0.6417742399999966 0.4185195199999967 0.3291473999999965
0.6694214099999982 0.4032130300000034 0.4807195599999972
0.5235652900000005 0.2901821499999997 0.3883987500000003
0.5571515000000034 0.3650520799999981 0.2759478400000006
0.5231417999999977 0.4174000599999985 0.5570901000000035
0.5430216199999975 0.2986144899999985 0.5623254699999976
0.6020125000000007 0.4354629199999991 0.6525051200000007
0.6225316499999991 0.3576256999999998 0.6506617200000022
0.6249492700000019 0.2705135799999994 0.2740296899999990
0.6098821300000026 0.2217547099999990 0.3593568200000021
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