iterations/neb0_image03_iter25_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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0.5695978800000034 0.3642108199999967 0.2637831300000002
0.6243403400000034 0.3375729300000003 0.2901233300000001
0.6113297500000030 0.2697434999999970 0.4772152899999966
0.5059927200000018 0.4074486299999975 0.4186617100000021
0.5237437500000013 0.3960822499999992 0.5308063299999972
0.5082022100000003 0.3256201700000005 0.4656967800000018
0.5028817399999994 0.1795746100000031 0.2635794799999971
0.5028442600000034 0.2568540899999974 0.2048182500000024
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0.6726441300000019 0.4570721099999986 0.5410413999999975
0.6823012699999964 0.4854361299999965 0.3836756600000015
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0.6251819699999999 0.5415162600000016 0.6592976199999967
0.5613868699999998 0.6198837800000021 0.4160321399999987
0.6281652300000005 0.6893732599999964 0.4262996499999971
0.6057805700000003 0.5628884300000010 0.2686144199999987
0.6538669199999987 0.6048491499999997 0.2745250799999965
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0.7113106999999985 0.6534529600000027 0.6070285699999971
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