iterations/neb0_image05_iter21_CONTCAR output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
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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0.3692924599999969 0.4314791299999996 0.5691695800000005
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0.4115639099999981 0.5833536499999994 0.4182708199999965
0.2323210699999976 0.4910521299999999 0.5564133999999967
0.1767350599999986 0.4080603600000003 0.6797584799999967
0.2283611000000008 0.3423624899999993 0.5238863000000009
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0.1065682600000031 0.4503904199999980 0.6228341200000003
0.5658610199999998 0.3739839899999993 0.2632289599999993
0.6206060900000026 0.3473341899999980 0.2895321999999965
0.6076287400000027 0.2794555299999999 0.4767125199999995
0.5030344899999974 0.4156832899999969 0.4177777499999991
0.5201461099999989 0.4055792699999969 0.5302374199999988
0.5046469400000007 0.3344417200000009 0.4655538499999992
0.4991501399999976 0.1893624200000019 0.2630436700000018
0.4991376700000032 0.2666158700000025 0.2042910300000003
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0.5873521299999993 0.1661929500000028 0.3832171999999971
0.5858560300000022 0.2121066999999996 0.1526503300000002
0.6688855700000005 0.4668777799999972 0.5404041700000022
0.6785676000000009 0.4952349300000023 0.3830605799999987
0.6103401000000019 0.6663028899999972 0.6036704400000019
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0.5576413799999997 0.6295907000000014 0.4154031200000006
0.6243926599999980 0.6991620900000015 0.4257294700000003
0.6021360200000032 0.5726835199999982 0.2680726500000006
0.6501305700000017 0.6146150399999968 0.2739249999999984
0.7120375399999972 0.5869076099999972 0.6514181200000024
0.7076037699999986 0.6632550899999998 0.6064469200000033
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