iterations/neb0_image01_iter38_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
0.2025672899999975 0.5293191100000030 0.3053904799999998
0.2544045699999984 0.3988192500000025 0.2569752400000027
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0.6576808700000001 0.6369831800000014 0.5069974600000009
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0.6077033799999967 0.7739596799999973 0.5067346900000018
0.2563696200000010 0.4919697400000018 0.2636794200000026
0.1558782299999990 0.5375557600000036 0.2245123800000002
0.3480028700000020 0.5414359399999995 0.3398014500000031
0.4372212800000028 0.4768098099999989 0.3408848300000002
0.3623855700000007 0.4242545999999976 0.4642838999999981
0.6182255599999991 0.5729268300000001 0.4594793199999998
0.6553434899999999 0.7235079800000008 0.4618826000000027
0.6486511299999975 0.4203501699999990 0.4559391299999973
0.5835443900000001 0.3190572500000002 0.3852389799999969
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0.2966801099999969 0.5119477000000003 0.3340978700000008
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0.1085916600000019 0.4404953100000029 0.2691824899999986
0.1464830399999997 0.4180431999999996 0.1833776499999971
0.1617124200000006 0.5867123399999983 0.0873287200000021
0.0921418399999965 0.5860630000000029 0.2779270300000007
0.3644139399999986 0.5615850100000017 0.2503142799999978
0.3467053899999968 0.6000733500000024 0.4008006500000008
0.4609969799999973 0.4241319599999969 0.3929885000000013
0.4391606900000014 0.4595255899999984 0.2441680199999965
0.3309544600000009 0.3752108799999974 0.4237793100000005
0.4018500999999972 0.3899030199999984 0.5033807300000035
0.3014058700000035 0.4782634399999992 0.5384730700000020
0.3488377999999983 0.4925744199999968 0.5934595200000032
0.4820736900000000 0.5715092599999991 0.3010658899999967
0.4652630900000005 0.5788716100000002 0.4067987800000026
0.6537385900000032 0.6384177300000005 0.5800984600000021
0.6918063199999978 0.6185373699999985 0.4943149799999986
0.6282269299999967 0.6233592900000033 0.3275494000000023
0.5608339300000011 0.5692070400000020 0.5808540299999976
0.5389373900000010 0.5418527799999993 0.4769297599999973
0.5464233100000015 0.6286500300000029 0.4974494599999986
0.6069042800000020 0.8244321900000031 0.4773990200000000
0.6098447700000023 0.7794538799999984 0.5797532899999993
0.5755621200000007 0.7498770500000020 0.4918962899999997
0.6593508400000019 0.7500268300000030 0.3134475700000010
0.7031925799999996 0.8000223599999998 0.5227099299999978
0.6600735099999966 0.4152381700000021 0.3590754000000018
0.6878329700000023 0.3997101900000004 0.5107825700000035
0.5417434499999985 0.2872401300000007 0.4179324099999988
0.5754030900000018 0.3617799900000023 0.3054915900000026
0.5410217599999996 0.4134524199999987 0.5865210300000001
0.5615491100000014 0.2947266400000004 0.5916213900000002
0.6201265699999965 0.4321129599999978 0.6815895900000015
0.6407066299999968 0.3545194900000013 0.6804073500000030
0.6429025500000023 0.2672219900000030 0.3030622100000002
0.6278408100000021 0.2181088999999972 0.3884324599999971
0.00000000E+00 0.00000000E+00 0.00000000E+00
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