iterations/neb0_image03_iter56_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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0.3538350399999999 0.4917188399999972 0.6017314099999993
0.4871859000000001 0.5690239700000035 0.3079127099999965
0.4659727399999980 0.5786075600000018 0.4097054200000017
0.6490604299999987 0.6397447800000009 0.5713407699999991
0.6877809900000003 0.6205259199999986 0.4858763800000006
0.6222948699999975 0.6237275100000019 0.3192993500000014
0.5577078199999974 0.5719100299999980 0.5767608299999978
0.5368232499999976 0.5406759700000023 0.4736592499999972
0.5418676299999987 0.6286801400000002 0.4905308900000023
0.6016002100000009 0.8255017899999970 0.4685076199999969
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0.5704356199999978 0.7509133800000001 0.4830793400000033
0.6540229200000027 0.7508952700000009 0.3044822499999995
0.6979202400000020 0.8019021599999974 0.5145105699999988
0.6545937200000012 0.4163215499999993 0.3511394200000026
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0.5363177899999982 0.2888676500000003 0.4103635499999996
0.5699541299999993 0.3632791200000014 0.2978888600000005
0.5352746499999981 0.4139101600000004 0.5795314300000030
0.5564315199999967 0.2955741999999972 0.5839630299999996
0.6143623099999971 0.4345052299999992 0.6739744099999996
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0.6370020499999995 0.2683216400000035 0.2936531300000027
0.6217442499999990 0.2188489099999984 0.3779903499999975
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