iterations/neb0_image03_iter50_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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0.1138428900000008 0.4396453199999968 0.2774942599999974
0.1517087900000007 0.4169822900000000 0.1918299000000019
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0.4676186000000015 0.5781973599999972 0.4120894200000009
0.6486208600000012 0.6393578799999986 0.5713707399999990
0.6871939899999973 0.6198103199999991 0.4858892800000021
0.6226604300000034 0.6241373100000018 0.3190335199999978
0.5568812300000019 0.5711057999999980 0.5749877100000020
0.5359281200000012 0.5415500800000004 0.4710687899999968
0.5417908499999982 0.6291522400000034 0.4898920999999987
0.6016655800000024 0.8254096599999983 0.4687306599999985
0.6046230899999969 0.7805242800000016 0.5710342799999992
0.5704046399999996 0.7507821199999967 0.4832237299999989
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0.6979731099999995 0.8012487000000021 0.5141406700000033
0.6546687299999974 0.4162436000000014 0.3504625400000023
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0.5364218599999973 0.2883681499999966 0.4098561599999968
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0.5562458300000017 0.2956541699999988 0.5836773899999983
0.6145149099999969 0.4326896099999971 0.6732196199999976
0.6350499799999980 0.3557893999999990 0.6717550600000024
0.6375006999999968 0.2682371000000003 0.2941898099999989
0.6223854799999984 0.2186514699999975 0.3795457100000021
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