iterations/neb0_image04_iter46_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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0.6862319099999965 0.6221702599999972 0.4810758500000034
0.6187229399999978 0.6237601500000025 0.3145581100000001
0.5572639399999986 0.5749338899999969 0.5781783199999992
0.5395540299999979 0.5386709499999967 0.4747354900000005
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0.5325151300000002 0.4144561900000028 0.5742509800000022
0.5534272399999978 0.2959914099999992 0.5780085999999969
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0.6342181899999986 0.2685597500000014 0.2888192500000031
0.6189805599999971 0.2192337299999991 0.3736589199999969
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