iterations/neb0_image01_iter20_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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0.2544751599999984 0.3990051500000007 0.2568359799999982
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0.4649476199999967 0.5788381200000003 0.4068338299999965
0.6535759200000015 0.6381980099999964 0.5800952900000027
0.6917558299999982 0.6179293499999972 0.4945466499999966
0.6282216099999971 0.6234412199999966 0.3276068099999989
0.5611905399999984 0.5690025800000029 0.5803883900000031
0.5389900200000000 0.5419776299999981 0.4764330000000001
0.5466223800000023 0.6288746900000035 0.4973386899999994
0.6069821899999965 0.8241903300000004 0.4774895099999981
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0.5412749899999980 0.4140018299999966 0.5863174699999973
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0.6407201900000032 0.3543688999999972 0.6801844700000004
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0.6281576100000024 0.2182894700000020 0.3889767000000006
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