iterations/neb0_image03_iter12_CONTCAR output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
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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0.2596381500000007 0.3980775799999989 0.2651913699999966
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0.6525223000000011 0.6375920799999975 0.4986571299999980
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0.6025844699999965 0.7746846699999992 0.4985240999999974
0.2616068000000027 0.4912583099999992 0.2722396599999968
0.1609865300000024 0.5367255900000032 0.2330229900000020
0.3530913399999989 0.5404567400000033 0.3483160999999981
0.4421937700000029 0.4759292600000009 0.3489394699999977
0.3674341700000028 0.4233519000000001 0.4726813199999995
0.6130561399999976 0.5737682199999981 0.4507453900000016
0.6501653199999993 0.7242257300000006 0.4537927800000006
0.6433270100000001 0.4211423699999983 0.4471265999999972
0.5784600599999976 0.3196795599999973 0.3767188799999985
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0.2741940299999968 0.5243485100000029 0.1744272099999975
0.3016033700000023 0.5115150499999999 0.3431375899999978
0.1855021200000024 0.5625421599999996 0.1387508899999972
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0.6459100100000015 0.7134674899999993 0.3433128499999967
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0.1139028500000023 0.4392698300000006 0.2774671000000026
0.1518487399999984 0.4172142800000032 0.1916678600000026
0.1669931699999978 0.5856483299999979 0.0955642799999978
0.0972617799999966 0.5855164500000001 0.2860218499999974
0.3694579300000029 0.5604306199999982 0.2584304399999979
0.3519349500000004 0.5993024200000008 0.4093345400000032
0.4662606300000007 0.4236075800000023 0.4016094999999993
0.4443539099999967 0.4586326599999992 0.2522264300000003
0.3359543600000023 0.3741798000000003 0.4324233199999981
0.4068999099999999 0.3890862499999983 0.5119811100000007
0.3066894299999987 0.4776326799999993 0.5471637699999974
0.3543034300000016 0.4915474100000026 0.6020985500000009
0.4870781699999966 0.5706284199999985 0.3092723899999967
0.4699364700000004 0.5778693600000011 0.4149035800000007
0.6483889399999967 0.6391253899999967 0.5717340799999988
0.6865869499999988 0.6188191600000010 0.4861961599999987
0.6230498999999980 0.6243785400000021 0.3192638900000020
0.5561114099999998 0.5699666200000024 0.5721147400000035
0.5340357899999972 0.5428893799999983 0.4681460999999985
0.5415309999999991 0.6298242900000020 0.4889988199999991
0.6018184400000024 0.8251161100000033 0.4691192700000002
0.6046289100000024 0.7802140200000025 0.5714683799999989
0.5705143899999996 0.7505348400000003 0.4833269700000002
0.6538871500000027 0.7508764100000036 0.3053457099999974
0.6981208400000014 0.8006431399999983 0.5140810500000015
0.6548765300000028 0.4160766700000025 0.3503883599999966
0.6825267800000034 0.4007593099999980 0.5019373900000019
0.5366687300000024 0.2877390100000028 0.4096026400000028
0.5702756299999976 0.3625912199999988 0.2971562500000005
0.5361397400000030 0.4150118199999966 0.5779961200000017
0.5561430699999974 0.2961875900000024 0.5834769800000004
0.6151217600000010 0.4330156899999977 0.6736454300000005
0.6355814799999990 0.3552831699999999 0.6718292400000010
0.6380764099999965 0.2681011600000005 0.2951812599999997
0.6230092400000018 0.2192646999999965 0.3806469199999967
0.00000000E+00 0.00000000E+00 0.00000000E+00
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