iterations/neb0_image03_iter52_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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0.4418684400000004 0.4754176599999980 0.3475985299999991
0.3675841299999973 0.4232398199999992 0.4729629400000022
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0.4676250899999985 0.5781901599999983 0.4120182799999981
0.6486140199999966 0.6393527500000005 0.5713703799999976
0.6871682100000029 0.6198191000000008 0.4858842100000018
0.6226613199999989 0.6241369500000005 0.3190221400000013
0.5568525600000029 0.5711118799999966 0.5749715899999970
0.5359903000000017 0.5415699500000031 0.4710690599999978
0.5417870100000002 0.6291827399999974 0.4898818699999978
0.6016600499999996 0.8253898999999976 0.4687248099999977
0.6046101100000030 0.7805249999999972 0.5710492500000015
0.5703980199999990 0.7507929100000013 0.4832267600000009
0.6539332999999985 0.7509701199999981 0.3046896299999986
0.6979673700000006 0.8012269099999969 0.5141089099999974
0.6546657399999987 0.4162584199999984 0.3505098099999984
0.6825603400000020 0.4009837799999971 0.5022403099999977
0.5364261300000024 0.2883769299999983 0.4098286999999985
0.5700397900000027 0.3629869999999968 0.2973490600000019
0.5356129899999971 0.4144185999999976 0.5788753300000025
0.5562561699999975 0.2956630600000025 0.5836859300000015
0.6145310100000003 0.4327630399999975 0.6732373700000025
0.6350976700000004 0.3557535899999991 0.6717999899999967
0.6374912899999998 0.2682432800000001 0.2941913299999968
0.6223695199999995 0.2186978100000019 0.3795121799999990
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