iterations/neb0_image05_iter24.sci output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
#MD System 2.0
@Title neb0_image05
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
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@data
6 {} {0.356610431757 0.540538261247 0.422726251361} C1 1 1
14 {} {0.337624167922 0.507421799531 0.533787883229} Si1 2 1
14 {} {0.411571324274 0.583422006053 0.418223741968} Si2 3 1
8 {} {0.340924484958 0.567705036676 0.609032713142} O1 4 1
8 {} {0.284671867186 0.485531180139 0.52579160725} O2 5 1
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6 {} {0.46056924846 0.526196126485 0.41192887672} C3 7 1
8 {} {0.413418433826 0.627200970026 0.51384247101} O3 8 1
8 {} {0.411965915897 0.63417103159 0.330263391885} O4 9 1
14 {} {0.232353237885 0.491052741183 0.556386885229} Si3 10 1
7 {} {0.212768752789 0.412318089491 0.58789444656} N1 11 1
14 {} {0.176750879217 0.408043215428 0.679784577379} Si4 12 1
14 {} {0.228369128426 0.342337010785 0.523885330872} Si5 13 1
7 {} {0.229561113068 0.354850310112 0.410318756244} N2 14 1
7 {} {0.129244379714 0.45638079319 0.672622317297} N3 15 1
1 {} {0.356309416524 0.500073025338 0.372710848158} H1 16 1
1 {} {0.331569186662 0.577505675619 0.400691157329} H2 17 1
1 {} {0.364688484045 0.599826213754 0.595947922254} H3 18 1
1 {} {0.365973791735 0.390427721134 0.520710848851} H4 19 1
1 {} {0.356645151942 0.413375114582 0.633684940638} H5 20 1
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1 {} {0.492607808538 0.553191812851 0.411565357679} H7 22 1
1 {} {0.459093014591 0.495164468419 0.35134810609} H8 23 1
1 {} {0.461061160329 0.492429544256 0.469744319485} H9 24 1
1 {} {0.438762901275 0.656386339884 0.523891622075} H10 25 1
1 {} {0.440541634892 0.642389340996 0.302096240746} H11 26 1
1 {} {0.22661495369 0.536721205941 0.634407268558} H12 27 1
1 {} {0.206866303251 0.517641437977 0.478633063667} H13 28 1
1 {} {0.163879121664 0.336325039861 0.687951947923} H14 29 1
1 {} {0.199815678412 0.432400778002 0.761639465081} H15 30 1
1 {} {0.274299076256 0.320614380579 0.548745215685} H16 31 1
1 {} {0.195242886994 0.288911154701 0.544206742463} H17 32 1
1 {} {0.256015328508 0.378716481462 0.382318231944} H18 33 1
1 {} {0.201075335961 0.365437392868 0.376276459591} H19 34 1
1 {} {0.129059358996 0.503985733321 0.696272656896} H20 35 1
1 {} {0.106572895686 0.450370150121 0.622836815185} H21 36 1
6 {} {0.585316495227 0.342211525248 0.309140238471} C4 37 1
14 {} {0.580833565901 0.375353775087 0.426354973924} Si6 38 1
14 {} {0.569327837174 0.25317176656 0.291216367586} Si7 39 1
8 {} {0.609656023881 0.326514811098 0.494275404638} O5 40 1
8 {} {0.60306101249 0.450732404878 0.431095837184} O6 41 1
6 {} {0.521715598638 0.383065029102 0.463256619498} C5 42 1
6 {} {0.508426381032 0.242506784601 0.267668477284} C6 43 1
8 {} {0.584624033248 0.214564675506 0.385490603112} O7 44 1
8 {} {0.599052347457 0.216167787524 0.211383060911} O8 45 1
14 {} {0.646861869441 0.495578770025 0.459749827217} Si8 46 1
7 {} {0.631326295326 0.576619542964 0.48683893175} N4 47 1
14 {} {0.63792585265 0.604383491385 0.597229358692} Si9 48 1
14 {} {0.607393877814 0.630284029935 0.40796148641} Si10 49 1
7 {} {0.618615269466 0.610861338338 0.298351509287} N5 50 1
7 {} {0.690667302865 0.624236967832 0.633933570463} N6 51 1
1 {} {0.56585816386 0.374018287585 0.263272131309} H22 52 1
1 {} {0.62062461025 0.34735328662 0.289476079631} H23 53 1
1 {} {0.607653635432 0.279387108588 0.476734137829} H24 54 1
1 {} {0.503045680506 0.415597305546 0.417628231606} H25 55 1
1 {} {0.520159313476 0.405472698277 0.530180318458} H26 56 1
1 {} {0.504729328405 0.334328794327 0.465666944114} H27 57 1
1 {} {0.499154742314 0.189380537112 0.263052358497} H28 58 1
1 {} {0.499123823821 0.266631690543 0.204303371862} H29 59 1
1 {} {0.48800603048 0.265339023981 0.320463164459} H30 60 1
1 {} {0.587358476692 0.166204318338 0.383207781117} H31 61 1
1 {} {0.585844325727 0.212126441423 0.152614051616} H32 62 1
1 {} {0.668886223165 0.466875148648 0.540426810371} H33 63 1
1 {} {0.678547536804 0.495240893706 0.383072762573} H34 64 1
1 {} {0.610325665513 0.666351522552 0.603641048169} H35 65 1
1 {} {0.621460468399 0.551318679432 0.658661123041} H36 66 1
1 {} {0.557630085357 0.629616719572 0.415407285948} H37 67 1
1 {} {0.624375180254 0.699152910872 0.425710658629} H38 68 1
1 {} {0.602081718879 0.572667628436 0.268019258668} H39 69 1
1 {} {0.650117575332 0.614638463247 0.273954919823} H40 70 1
1 {} {0.712033426999 0.586961655844 0.651404040473} H41 71 1
1 {} {0.707614528532 0.663275557579 0.606480440364} H42 72 1
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