iterations/neb0_image03_iter47_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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0.2595629799999983 0.3975552100000002 0.2661421000000033
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0.4668399099999974 0.5781883399999970 0.4110307899999981
0.6486089599999971 0.6393715000000029 0.5711863599999987
0.6872808700000022 0.6201608100000016 0.4857197299999996
0.6225409799999966 0.6240685400000032 0.3188440099999994
0.5569853399999971 0.5715132199999999 0.5759429100000020
0.5368375299999997 0.5411484500000014 0.4719025300000013
0.5418967499999994 0.6290101299999975 0.4901635000000013
0.6015933600000025 0.8254616799999965 0.4685760799999983
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0.5703159899999974 0.7509037900000024 0.4832159600000026
0.6539370899999994 0.7510719300000019 0.3043746800000022
0.6978877999999966 0.8012552799999995 0.5138945899999996
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0.5363275599999966 0.2886190299999996 0.4098168399999977
0.5699267899999967 0.3631181299999966 0.2973130999999967
0.5355080900000004 0.4142325199999988 0.5792884999999970
0.5563283899999973 0.2955103899999969 0.5838621500000016
0.6142925899999980 0.4324400400000030 0.6729927000000018
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0.6372734500000021 0.2682895800000011 0.2939014600000007
0.6221809399999998 0.2184383199999971 0.3792603999999997
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