./iterations/neb0_image05_iter39_CONTCAR output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
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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0.4271111099999985 0.5762114899999986 0.4083468199999984
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0.6197602800000013 0.7150564599999996 0.3870327599999968
0.5762117399999980 0.4393615999999980 0.2480318599999976
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0.4507396799999981 0.4597155499999985 0.4480692099999999
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0.1166215499999979 0.4811491899999965 0.6856807599999968
0.6594241700000012 0.6086649800000004 0.3686168300000006
0.6245587299999968 0.6273223900000033 0.2767838299999994
0.5378690000000006 0.6529539200000016 0.3787312700000030
0.6250558600000033 0.5053036600000027 0.5063771100000025
0.5667344200000031 0.4968555000000023 0.5226814299999987
0.5938218100000014 0.5726494500000001 0.5524899300000001
0.6322594199999969 0.7847603800000016 0.5224685900000026
0.6731375399999990 0.7205429899999984 0.5137638499999966
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0.6054648599999979 0.4552373000000003 0.1705171699999966
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0.6526186700000025 0.3418847000000014 0.4137815400000022
0.6471784499999984 0.2644217400000031 0.2880890500000035
0.6977516999999978 0.4226738300000008 0.2953350299999968
0.6873441400000004 0.3848715800000022 0.1976627100000030
0.4989402499999969 0.2847582799999984 0.1865990699999998
0.5386688899999967 0.2261732400000014 0.1936638600000009
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