iterations/neb0_image02_iter6_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
0.2050799499999982 0.5287174400000012 0.3098487500000005
0.2570490700000008 0.3985741999999988 0.2609989999999982
0.1268506199999990 0.4574802099999999 0.2110947299999992
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0.2590018499999971 0.4917492100000018 0.2680546699999979
0.1583728499999992 0.5372193800000034 0.2288622100000026
0.3505038099999993 0.5409679300000008 0.3440850900000001
0.4396530699999985 0.4764521000000030 0.3448132500000014
0.3648732199999998 0.4238290600000028 0.4685301499999994
0.6156124099999971 0.5732548200000025 0.4549430200000018
0.6527630499999972 0.7237649799999986 0.4580471900000020
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0.2990146899999999 0.5119849700000003 0.3389980700000024
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0.1113196900000020 0.4397348199999982 0.2732863800000018
0.1492716799999982 0.4176855500000016 0.1874740700000004
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0.0946733800000032 0.5859997100000029 0.2818310600000018
0.3668681199999995 0.5608934899999980 0.2542116799999974
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0.4636730200000017 0.4240564400000011 0.3974464100000006
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0.4043119800000028 0.3895683300000030 0.5078055500000005
0.3041013599999971 0.4781082900000015 0.5429770800000000
0.3517197099999976 0.4920093599999973 0.5979032600000025
0.4844996400000028 0.5711235099999996 0.3050665800000019
0.4674621999999999 0.5783546700000031 0.4109318000000002
0.6509732399999990 0.6386514399999967 0.5759251500000033
0.6891638600000007 0.6183287400000026 0.4903913400000022
0.6256448700000021 0.6239228900000029 0.3234500499999982
0.5586737900000003 0.5694651600000000 0.5761326699999998
0.5364764899999983 0.5424640100000033 0.4722213299999964
0.5440858099999986 0.6293785399999976 0.4931455299999996
0.6044090500000010 0.8246355799999989 0.4733151200000023
0.6072187099999979 0.7797306900000009 0.5756592799999964
0.5730943000000011 0.7500443599999969 0.4875074400000017
0.6564730500000024 0.7503974400000004 0.3095561399999980
0.7007084399999997 0.8001531499999999 0.5182622700000010
0.6574687000000026 0.4155907199999973 0.3545616099999975
0.6851146400000019 0.4002687999999992 0.5061234400000032
0.5392707700000017 0.2872604599999988 0.4137821599999967
0.5728710400000026 0.3621180399999986 0.3013265900000022
0.5387336000000005 0.4145415500000027 0.5821506999999997
0.5587246999999991 0.2957225099999974 0.5876538799999977
0.6177065600000020 0.4325206299999991 0.6778302900000028
0.6381576300000020 0.3547995699999973 0.6759975200000028
0.6406821899999997 0.2676198099999993 0.2993769099999994
0.6256121899999982 0.2187953399999998 0.3848500900000005
0.00000000E+00 0.00000000E+00 0.00000000E+00
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