iterations/neb0_image02_iter19_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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0.2570537699999988 0.3985831199999978 0.2610488799999970
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0.4674191000000008 0.5783650300000005 0.4107923400000004
0.6509945199999976 0.6386445999999992 0.5758752200000004
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0.6256222199999968 0.6238949700000020 0.3234495600000002
0.5586352899999980 0.5695207799999977 0.5763584099999974
0.5365603400000012 0.5424045099999972 0.4723463899999985
0.5440814500000002 0.6293436300000010 0.4931912699999970
0.6044015000000016 0.8246572899999975 0.4732872900000018
0.6072005899999979 0.7797754500000025 0.5756974000000028
0.5731006399999998 0.7500939800000026 0.4875341600000027
0.6564778300000000 0.7503724899999966 0.3095391000000021
0.7006996200000017 0.8001921600000017 0.5182553799999994
0.6574488400000007 0.4155955000000020 0.3545607399999966
0.6851101499999999 0.4003019100000031 0.5061403200000001
0.5393054500000005 0.2873603999999972 0.4137693899999988
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0.5386864099999968 0.4144957199999979 0.5822479899999990
0.5587556899999981 0.2956373399999990 0.5876738099999983
0.6176803899999967 0.4324837200000005 0.6777980800000023
0.6381531199999984 0.3548493300000004 0.6760459400000016
0.6406468200000006 0.2676359800000014 0.2992732000000018
0.6255562600000033 0.2187436600000012 0.3847586899999982
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