iterations/neb0_image04_iter11_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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0.3674009599999977 0.4364584599999972 0.5688934300000028
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0.4575881600000002 0.4994927300000001 0.3510599499999998
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0.5677473300000031 0.3690220499999981 0.2634639300000003
0.6225088899999989 0.3423937800000019 0.2898416199999971
0.6094776799999977 0.2745924000000031 0.4769442200000000
0.5042541600000021 0.4120547400000021 0.4185066599999985
0.5219331500000024 0.4009175899999988 0.5304590800000000
0.5063777900000019 0.3304422599999981 0.4654545200000015
0.5010026699999983 0.1844488999999996 0.2632759299999989
0.5010599499999984 0.2616959100000003 0.2045549600000029
0.4899010299999986 0.2604249500000009 0.3206719599999985
0.5892062100000004 0.1611661199999972 0.3835316699999964
0.5877198700000008 0.2071640899999991 0.1528878599999999
0.6707791999999984 0.4619049499999974 0.5407595100000009
0.6804626600000034 0.4902833800000010 0.3834331700000035
0.6122026899999966 0.6614989400000013 0.6041366700000026
0.6233625599999968 0.5464236600000021 0.6591868699999992
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0.6263258700000023 0.6942686200000026 0.4261500799999993
0.6040521500000011 0.5676392499999992 0.2684020599999997
0.6520712000000017 0.6096753699999979 0.2741772500000010
0.7138506900000010 0.5820396599999995 0.6516408000000027
0.7094546499999979 0.6582420800000008 0.6066455899999994
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