iterations/neb0_image03_iter57_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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0.4661902799999993 0.5785647499999982 0.4100078499999995
0.6489923700000020 0.6396827800000011 0.5713292300000035
0.6877018300000017 0.6204352000000029 0.4858660000000015
0.6223569300000023 0.6238281199999989 0.3192200599999993
0.5575911399999995 0.5718021100000001 0.5765772900000030
0.5367388599999998 0.5407808900000006 0.4733161999999993
0.5418724199999971 0.6287039099999987 0.4904589400000035
0.6016037200000000 0.8255127600000023 0.4685241999999974
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0.6540097500000002 0.7509154099999975 0.3044873300000006
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0.6546008700000030 0.4163000300000022 0.3509114000000011
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0.5363303199999976 0.2888000599999998 0.4102648900000005
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0.5352929599999996 0.4139735400000006 0.5794147499999980
0.5563804399999981 0.2955100599999980 0.5838895999999991
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0.6370475800000008 0.2683011199999967 0.2937422700000027
0.6218272699999972 0.2188057799999967 0.3782129200000028
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