iterations/neb0_image05_iter28_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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0.3595826600000009 0.4906456800000001 0.6107431399999967
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0.4725624800000006 0.5772233200000016 0.4207021900000001
0.6431825299999971 0.6401018600000015 0.5629756299999968
0.6817751399999992 0.6201276700000022 0.4775814300000008
0.6175918400000029 0.6251950099999988 0.3107849800000011
0.5517471400000034 0.5717834000000011 0.5661910199999980
0.5311940100000001 0.5427789800000014 0.4620344499999973
0.5367163399999981 0.6305812200000034 0.4813292300000001
0.5965207799999988 0.8261134500000011 0.4604922600000023
0.5993354499999981 0.7812427400000033 0.5628492399999985
0.5652094699999992 0.7515683199999970 0.4747367499999982
0.6485826999999986 0.7518018999999967 0.2966569299999975
0.6928383600000032 0.8016647000000034 0.5054264099999983
0.6495607900000024 0.4171184599999975 0.3418165900000005
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0.5649882200000036 0.3635773600000007 0.2886906499999995
0.5307666300000022 0.4159743399999982 0.5697153400000019
0.5508499499999999 0.2971148700000015 0.5748890599999967
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0.6302014700000029 0.3562823600000016 0.6632285299999978
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0.6176318300000005 0.2200857400000018 0.3718779900000015
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