iterations/neb0_image05_iter15_CONTCAR output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
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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0.5658875299999977 0.3738792199999992 0.2632090000000034
0.6206253200000020 0.3472497899999993 0.2895766999999978
0.6076169099999973 0.2794367099999988 0.4766882699999968
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0.5201054300000010 0.4056970399999997 0.5301589700000022
0.5045494499999990 0.3349878599999982 0.4653012099999998
0.4991436700000023 0.1893009699999979 0.2630057000000008
0.4991952299999980 0.2665611400000003 0.2042685300000002
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0.5873355599999996 0.1660641599999977 0.3832569100000001
0.5858704600000024 0.2120154999999997 0.1526422900000028
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0.5577170899999970 0.6294492099999971 0.4154809500000027
0.6244420800000015 0.6990989299999981 0.4259062100000008
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0.6501376300000032 0.6145377100000005 0.2739828400000022
0.7120698299999972 0.5867999399999988 0.6514334900000023
0.7076373700000005 0.6632007199999990 0.6063342699999978
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