iterations/neb0_image01_iter75_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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0.2494693000000012 0.3764442499999987 0.3225575800000016
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0.6534556900000013 0.6379250700000014 0.5800386499999988
0.6916871900000032 0.6172206900000035 0.4950491700000015
0.6282544500000000 0.6236317400000004 0.3275154000000029
0.5616234900000023 0.5688403600000029 0.5799700299999984
0.5391364800000034 0.5421623599999990 0.4758309600000032
0.5468332299999972 0.6290721399999981 0.4972767100000013
0.6070931000000002 0.8239947200000017 0.4772857299999984
0.6096900100000013 0.7791623800000025 0.5804132000000024
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0.6600249399999996 0.4151043700000017 0.3584601199999966
0.6875173500000002 0.3999539900000002 0.5099843799999988
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0.5754873400000022 0.3616360400000005 0.3054497899999973
0.5415022199999981 0.4146454400000010 0.5861762799999966
0.5611447200000015 0.2956570899999988 0.5921814599999990
0.6203989600000028 0.4317124000000021 0.6824356099999989
0.6407185400000017 0.3542635800000014 0.6800178399999979
0.6437669000000028 0.2671761599999982 0.3036061899999964
0.6284676200000021 0.2184692699999999 0.3897151099999974
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