iterations/neb0_image03_iter22_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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0.5695981599999982 0.3642030199999979 0.2637750900000029
0.6243340500000016 0.3375725300000028 0.2901297700000001
0.6113250499999978 0.2697678500000009 0.4772116899999972
0.5059945900000002 0.4074498399999982 0.4186710399999996
0.5237435100000027 0.3960950399999987 0.5308118100000030
0.5081949699999981 0.3256173099999984 0.4656889299999989
0.5028808799999993 0.1795743400000021 0.2635801400000020
0.5028526999999983 0.2568513000000010 0.2048220699999987
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0.5613557900000004 0.6198869500000015 0.4160100799999995
0.6281700899999976 0.6894008700000001 0.4262761700000013
0.6058295400000020 0.5629680999999991 0.2686671399999980
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0.7157461600000019 0.5771441400000015 0.6519533999999965
0.7113187100000005 0.6534839999999988 0.6069903900000000
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