iterations/neb0_image05_iter45_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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0.2655116899999967 0.3967695700000036 0.2750999499999978
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0.1670429600000034 0.5353818000000032 0.2423626799999994
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0.3730495399999967 0.4218870400000014 0.4830180299999967
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0.3599037600000017 0.4908000799999996 0.6116878899999989
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0.4627675799999977 0.5788112600000019 0.4089200800000015
0.6433759499999994 0.6404137500000004 0.5613979299999983
0.6833601800000011 0.6220459099999971 0.4767812099999986
0.6162823299999971 0.6246722300000016 0.3103275900000000
0.5549684499999969 0.5753708299999971 0.5756664399999991
0.5400341699999984 0.5389868899999968 0.4720682499999995
0.5381021900000036 0.6288575900000026 0.4843735500000008
0.5959177000000011 0.8263816999999989 0.4592918199999971
0.5987818400000009 0.7816207099999986 0.5618682200000009
0.5646537599999988 0.7519827200000009 0.4738010299999971
0.6480165199999988 0.7517894599999977 0.2950341900000026
0.6923777499999986 0.8021681800000025 0.5042517500000017
0.6489481899999987 0.4174484500000020 0.3407224700000029
0.6769021300000020 0.4021791300000004 0.4927362199999976
0.5308115099999995 0.2892070600000025 0.4003811500000012
0.5643723499999993 0.3638897900000018 0.2879144400000015
0.5299672200000032 0.4157510699999989 0.5701000899999968
0.5503729799999988 0.2967679400000023 0.5740221499999976
0.6088462299999975 0.4341009700000029 0.6641376299999990
0.6296566700000028 0.3563769000000008 0.6625492800000004
0.6317385500000015 0.2691431200000025 0.2850431499999999
0.6165516499999981 0.2197543999999994 0.3698361499999976
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