iterations/neb0_image03_iter16_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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0.3655559999999980 0.4412659999999988 0.5686414500000012
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0.1028055499999994 0.4601962999999998 0.6222364300000010
0.5695979500000021 0.3641753499999965 0.2637628199999966
0.6243363099999968 0.3375527000000034 0.2901254300000033
0.6113156300000000 0.2697591399999979 0.4772160699999972
0.5059304299999994 0.4075422000000017 0.4187367299999991
0.5237559199999993 0.3961226099999990 0.5308144400000003
0.5081930500000027 0.3256954399999969 0.4656912100000028
0.5028493800000007 0.1795893399999997 0.2635391800000022
0.5028996300000017 0.2568641700000001 0.2048082900000026
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0.5910439900000029 0.1563673300000019 0.3837972299999990
0.5895649300000017 0.2023180300000007 0.1531270500000019
0.6726323800000031 0.4570619699999980 0.5410289800000001
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0.6140662099999972 0.6566498899999971 0.6044008800000000
0.6252185999999966 0.5415860299999977 0.6594692800000033
0.5614205500000011 0.6197713299999990 0.4160536899999983
0.6281724400000002 0.6893984800000013 0.4264556400000004
0.6059175500000009 0.5628804999999986 0.2687641999999997
0.6538563399999973 0.6048363399999985 0.2745293400000008
0.7157543699999991 0.5771294899999972 0.6519546999999974
0.7113249399999972 0.6534605599999992 0.6068952500000009
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