iterations/neb0_image08_iter4_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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0.1739726799999985 0.5343527499999965 0.2540846300000013
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0.4199018699999968 0.3867052399999977 0.5329935399999997
0.3196965799999987 0.4752415999999968 0.5681836400000009
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0.4815468800000033 0.5759765500000000 0.4346020699999968
0.6353827200000026 0.6414990399999994 0.5506842300000017
0.6736045700000020 0.6211811399999974 0.4651698999999994
0.6100812899999966 0.6268242700000002 0.2982208399999990
0.5433045099999987 0.5724591199999978 0.5512097399999973
0.5229304300000024 0.5448022799999990 0.4486833200000007
0.5286405900000020 0.6323260099999999 0.4680220199999994
0.5888382199999995 0.8274930999999981 0.4481052699999992
0.5916505799999996 0.7825842800000018 0.5504208799999972
0.5575192700000002 0.7529016000000013 0.4622854300000014
0.6408960699999966 0.7532575800000032 0.2843442200000013
0.6851389999999995 0.8030177500000022 0.4930532300000010
0.6419005400000017 0.4184706799999987 0.3293581399999965
0.6695388400000013 0.4031523600000000 0.4808997000000019
0.5236851299999969 0.2901205900000008 0.3885936799999996
0.5572882499999992 0.3650088400000016 0.2761135900000014
0.5232238600000017 0.4173901799999982 0.5570646199999985
0.5431474199999968 0.2986164799999997 0.5624739100000014
0.6021353000000005 0.4353934900000027 0.6526588199999992
0.6225980600000014 0.3576426999999995 0.6507944900000027
0.6251113000000004 0.2704815700000012 0.2742020700000012
0.6100441000000032 0.2216806899999995 0.3596344600000023
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