iterations/neb0_image04_iter1_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
0.2102506800000015 0.5277474000000026 0.3182021000000006
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0.1320179599999989 0.4565448900000035 0.2194511800000001
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0.5533536100000020 0.5803604000000036 0.4955962299999968
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0.2641918200000006 0.4907822899999985 0.2763514199999975
0.1635445399999966 0.5362725900000029 0.2372324199999980
0.3556349799999978 0.5399596700000018 0.3524177899999970
0.4448296400000018 0.4755281799999977 0.3532208000000026
0.3699953300000018 0.4228661499999973 0.4768525200000013
0.6104537599999986 0.5742156800000018 0.4465686099999999
0.6475781099999978 0.7246926400000007 0.4496352199999976
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0.2570606100000035 0.3746506499999995 0.3352298399999967
0.2939421800000019 0.3786123900000007 0.2425437799999983
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0.1054956199999992 0.4627058000000019 0.1694027699999978
0.1164850899999976 0.4387797300000003 0.2816218600000013
0.1544256099999970 0.4167462999999998 0.1958248999999981
0.1695705799999985 0.5851772999999980 0.0996872799999977
0.0998222400000017 0.5850630999999993 0.2901691900000003
0.3720335499999976 0.5599483199999966 0.2624831600000022
0.3545037199999967 0.5988457899999986 0.4135089199999982
0.4688396399999988 0.4230987999999982 0.4058369700000029
0.4469296199999988 0.4582026300000024 0.2564019499999972
0.3385099199999999 0.3736965800000007 0.4365941100000015
0.4094625800000031 0.3886318899999992 0.5161700399999987
0.3092590999999985 0.4771597399999976 0.5513254600000010
0.3569063099999994 0.4910642999999979 0.6062917499999969
0.4896600100000015 0.5701763599999978 0.3133450500000023
0.4726181799999978 0.5773859800000025 0.4193692500000026
0.6458064500000020 0.6395967999999996 0.5675791600000011
0.6840068599999967 0.6192314500000009 0.4820433699999995
0.6204871699999970 0.6248570400000020 0.3151196800000022
0.5535343499999996 0.5703850700000004 0.5677432000000024
0.5312728700000022 0.5434146400000017 0.4638197800000015
0.5389328199999994 0.6303341599999968 0.4847796500000001
0.5992577199999971 0.8255829900000009 0.4649788799999968
0.6020683899999995 0.7806686999999997 0.5672812800000031
0.5679419399999972 0.7509763999999990 0.4791500999999982
0.6513097300000013 0.7513356299999998 0.3012312800000032
0.6955539799999997 0.8011000400000015 0.5099285399999971
0.6523121199999977 0.4165327799999972 0.3462173899999996
0.6799430700000002 0.4012131300000021 0.4977323999999967
0.5341037600000007 0.2881714900000034 0.4054471600000014
0.5677173199999999 0.3630567800000009 0.2929793599999968
0.5335874800000013 0.4155018499999983 0.5737489500000024
0.5535537000000019 0.2967100600000023 0.5792755900000017
0.6125559099999975 0.4334527099999974 0.6694821399999995
0.6329835399999979 0.3557524599999979 0.6676085599999979
0.6355442099999991 0.2685603899999975 0.2910485199999968
0.6204807200000033 0.2197327800000011 0.3765466899999979
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