iterations/neb0_image03_iter39_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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0.4423607800000013 0.4480748000000006 0.2460237599999999
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0.4086857699999982 0.3872104300000032 0.5110648900000001
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0.4524946000000014 0.5797631699999997 0.3889933600000006
0.6495098199999987 0.6402926399999984 0.5685574900000034
0.6899053200000012 0.6267694300000031 0.4832692199999968
0.6202244400000012 0.6228494699999985 0.3163207799999981
0.5601522199999991 0.5786847800000032 0.5959740099999991
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0.5437955100000025 0.6250148499999995 0.4956813499999981
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0.6967062399999975 0.8042611199999996 0.5128518900000003
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0.5346938599999973 0.2928099700000004 0.4097897400000008
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0.5570299999999975 0.2912825900000016 0.5850729300000026
0.6110675199999989 0.4310548899999986 0.6696538099999998
0.6317994999999996 0.3601245899999981 0.6721545700000036
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0.6176395700000015 0.2157035600000015 0.3718826400000026
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