iterations/neb0_image01_iter63_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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0.2542101299999970 0.3983046500000000 0.2570710099999971
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0.3624681699999996 0.4242072699999966 0.4642160799999999
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0.3463972300000009 0.6000183700000008 0.4009241299999999
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0.4824564299999992 0.5712887999999978 0.3009312000000008
0.4656727799999985 0.5785851799999975 0.4069827499999974
0.6540131699999989 0.6391433599999985 0.5803347000000016
0.6918278599999965 0.6190650300000016 0.4939164399999996
0.6283717299999978 0.6229761100000033 0.3280397500000021
0.5607456899999974 0.5694338999999999 0.5813115699999969
0.5391087200000015 0.5414342500000018 0.4775406400000008
0.5463220500000006 0.6284473300000002 0.4973064200000010
0.6067170099999970 0.8248706700000028 0.4771638699999983
0.6101162000000002 0.7796542199999976 0.5789404000000005
0.5753863799999976 0.7502480200000008 0.4918560799999980
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0.7029590499999969 0.8005258900000030 0.5233971899999972
0.6602596899999966 0.4155947100000006 0.3597795100000027
0.6877948699999976 0.3997118599999965 0.5112955499999998
0.5415956200000025 0.2880408600000024 0.4182093599999988
0.5753816699999987 0.3624200699999989 0.3055283500000030
0.5406599000000014 0.4122941199999985 0.5868009100000009
0.5620504600000018 0.2940450600000020 0.5914262300000033
0.6198708699999997 0.4322960499999979 0.6812544900000006
0.6405920199999997 0.3547718299999971 0.6806972999999985
0.6423728999999980 0.2672336500000014 0.3023638900000023
0.6272937499999998 0.2178921699999989 0.3874994199999975
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