iterations/neb0_image07_iter75_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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0.4943914699999965 0.5744293099999993 0.4547842699999975
0.6352201300000004 0.6402458100000032 0.5579637000000019
0.6673339399999989 0.6109609399999982 0.4615616700000018
0.6166257100000010 0.6289209299999996 0.3025632299999970
0.5364359900000011 0.5631279300000003 0.5471349500000002
0.5203225500000030 0.5494985699999972 0.4338164600000027
0.5284347300000007 0.6418427699999967 0.4678579300000010
0.5934928300000024 0.8255496000000022 0.4535275699999985
0.5955111500000001 0.7812136900000013 0.5567879099999971
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0.6446432700000031 0.7526309100000006 0.2941582799999978
0.6886237499999979 0.8010723900000016 0.4981235799999979
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0.6726251899999980 0.4023663899999974 0.4853663199999971
0.5278586599999997 0.2909878399999997 0.3949706100000014
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0.5266278900000003 0.4164924600000006 0.5598261800000017
0.5470798099999996 0.2983749500000030 0.5675115700000006
0.6055250300000026 0.4347305900000009 0.6580848199999991
0.6255795399999968 0.3565098500000019 0.6552809000000011
0.6289287399999992 0.2701160900000019 0.2806742499999970
0.6138125900000020 0.2217544499999988 0.3664422299999970
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