iterations/neb0_image03_iter4_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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0.5695966799999965 0.3641610000000028 0.2637586499999998
0.6243403400000034 0.3375371400000020 0.2901177899999965
0.6113123299999970 0.2697541000000001 0.4772285900000028
0.5058808100000007 0.4076111999999981 0.4187758400000021
0.5237645699999973 0.3961388800000023 0.5308375899999973
0.5081964900000031 0.3257482200000013 0.4657011099999977
0.5028273499999969 0.1795938899999996 0.2635082500000010
0.5029272299999974 0.2568768800000001 0.2047921799999983
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0.5910086399999983 0.1563306299999994 0.3838207499999982
0.5895711200000022 0.2022998300000012 0.1531819799999994
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0.5615060399999976 0.6196794000000025 0.4160975799999989
0.6281675800000031 0.6893561300000002 0.4265931999999992
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0.6539279699999980 0.6048517600000025 0.2745254399999979
0.7157363900000036 0.5771691699999977 0.6519277599999995
0.7113190999999972 0.6534027800000004 0.6068621800000003
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