iterations/neb0_image05_iter1_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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0.6206591600000024 0.3471688200000003 0.2895826800000023
0.6076304799999974 0.2793789600000025 0.4766965900000031
0.5021840300000022 0.4172675699999999 0.4182307199999968
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0.5045125700000028 0.3353828300000004 0.4651697999999982
0.4991417999999967 0.1892291500000027 0.2629666600000036
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0.5858896499999986 0.2119288999999966 0.1526544399999992
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0.6244818500000022 0.6989874699999987 0.4261278899999965
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0.7076542200000020 0.6630726599999974 0.6063017600000009
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