iterations/neb0_image01_iter15_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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0.2544797999999986 0.3990298599999988 0.2568194799999972
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0.4017368599999998 0.3900348199999968 0.5036169899999976
0.3015176099999977 0.4785761400000013 0.5387991099999994
0.3491265199999987 0.4924904100000020 0.5937211600000012
0.4819222499999967 0.5715974900000020 0.3009004099999970
0.4649259799999967 0.5788291900000004 0.4067957199999981
0.6535642099999990 0.6381833900000018 0.5800995600000007
0.6917483399999966 0.6178839999999965 0.4945688899999965
0.6282218799999981 0.6234441900000007 0.3276178400000020
0.5612229299999996 0.5689881699999972 0.5803318800000028
0.5390007800000021 0.5419943500000031 0.4763967000000022
0.5466444999999993 0.6288810699999985 0.4973273000000020
0.6069860500000033 0.8241777100000007 0.4774904300000031
0.6097994400000033 0.7792637200000030 0.5798419699999968
0.5756779399999985 0.7495842299999964 0.4917000700000003
0.6590695800000006 0.7499333199999967 0.3137208200000003
0.7032888900000032 0.7996990199999985 0.5224590500000019
0.6600471799999994 0.4151148899999981 0.3587537200000028
0.6877026200000032 0.3997795300000035 0.5103197399999999
0.5418380600000035 0.2867914300000010 0.4179574699999975
0.5754492599999992 0.3616352399999982 0.3055102800000000
0.5412907300000001 0.4140492900000012 0.5863031199999966
0.5613057899999987 0.2952242200000015 0.5917972000000020
0.6202838499999999 0.4320356200000006 0.6819778200000002
0.6407288300000005 0.3543471199999999 0.6801713799999973
0.6432524100000023 0.2671523500000035 0.3035288900000026
0.6281834500000016 0.2182986999999983 0.3890280099999970
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