iterations/neb0_image02_iter3.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_image02
@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 {} {0.351118419022 0.555097507402 0.421885059842} C1 1 1
14 {} {0.33200948223 0.522064494817 0.532964241408} Si1 2 1
14 {} {0.406313394264 0.597202769599 0.417723002968} Si2 3 1
8 {} {0.335321864342 0.582349265914 0.60820845304} O1 4 1
8 {} {0.27918498987 0.500097389268 0.524996897383} O2 5 1
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6 {} {0.455429995882 0.539603223294 0.411425604956} C3 7 1
8 {} {0.40795482177 0.641625246233 0.51278765148} O3 8 1
8 {} {0.406671224001 0.648100029165 0.32991486235} O4 9 1
14 {} {0.226787511194 0.505652903041 0.555644244916} Si3 10 1
7 {} {0.207175711003 0.426995829436 0.587051271061} N1 11 1
14 {} {0.171131398003 0.422671380647 0.67887441162} Si4 12 1
14 {} {0.222769670501 0.35699584437 0.523061412352} Si5 13 1
7 {} {0.223993114995 0.369320488017 0.409500139326} N2 14 1
7 {} {0.123624426178 0.470961876124 0.671736546348} N3 15 1
1 {} {0.350656964957 0.514651366476 0.371859132034} H1 16 1
1 {} {0.326175605068 0.592246402703 0.399893798753} H2 17 1
1 {} {0.359095596309 0.614488009256 0.595157534647} H3 18 1
1 {} {0.360380657935 0.405116577244 0.519845307171} H4 19 1
1 {} {0.351028514477 0.428057330506 0.632844248458} H5 20 1
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1 {} {0.487198682274 0.567250457455 0.410657284582} H7 22 1
1 {} {0.453991982225 0.509011937755 0.350457374424} H8 23 1
1 {} {0.456383242953 0.505437475631 0.468865878126} H9 24 1
1 {} {0.433196151971 0.670930852102 0.523088018049} H10 25 1
1 {} {0.435010516099 0.656899164869 0.301139970688} H11 26 1
1 {} {0.221034275884 0.551357331138 0.633626462299} H12 27 1
1 {} {0.201297895381 0.532259145829 0.477910509737} H13 28 1
1 {} {0.158244829133 0.350929973739 0.687036416735} H14 29 1
1 {} {0.194170799073 0.446976065133 0.760804484003} H15 30 1
1 {} {0.26870134512 0.335281718523 0.548018713212} H16 31 1
1 {} {0.189640380215 0.30355602491 0.543394562361} H17 32 1
1 {} {0.250422172985 0.393342445478 0.381560413618} H18 33 1
1 {} {0.195518427258 0.380009425246 0.375499052853} H19 34 1
1 {} {0.123432339219 0.518553254739 0.695493681071} H20 35 1
1 {} {0.10095408889 0.465029315341 0.621951693878} H21 36 1
6 {} {0.590858682232 0.327590524553 0.309990176798} C4 37 1
14 {} {0.586067694653 0.361072487602 0.426957488852} Si6 38 1
14 {} {0.574904072957 0.23850070928 0.292042327002} Si7 39 1
8 {} {0.614703155721 0.312070441028 0.494981332453} O5 40 1
8 {} {0.608736616823 0.43620892491 0.431968025785} O6 41 1
6 {} {0.526832138623 0.369855926718 0.463600663293} C5 42 1
6 {} {0.514008729185 0.227885218648 0.268422287138} C6 43 1
8 {} {0.590182840489 0.199851194787 0.386338493823} O7 44 1
8 {} {0.604626894825 0.201513501204 0.212190940173} O8 45 1
14 {} {0.652468829933 0.480990972734 0.460718517623} Si8 46 1
7 {} {0.636902706371 0.562097041845 0.48735747694} N4 47 1
14 {} {0.643437141267 0.589783148508 0.598232688089} Si9 48 1
14 {} {0.612998832711 0.615784410706 0.408790327356} Si10 49 1
7 {} {0.624125745766 0.596643663339 0.298520055273} N5 50 1
7 {} {0.696144835507 0.609453367152 0.63417647442} N6 51 1
1 {} {0.571437616728 0.35934491513 0.264025079258} H22 52 1
1 {} {0.626184544222 0.332718505377 0.290385732217} H23 53 1
1 {} {0.613155210183 0.264938322945 0.477496366171} H24 54 1
1 {} {0.50770310318 0.40282472757 0.419026162001} H25 55 1
1 {} {0.525605857654 0.391321273763 0.531104600383} H26 56 1
1 {} {0.510036020442 0.320936608681 0.465964455536} H27 57 1
1 {} {0.504668934965 0.174774440658 0.263775757513} H28 58 1
1 {} {0.504768648412 0.252058784587 0.205061770891} H29 59 1
1 {} {0.493581937919 0.250801767116 0.321158207244} H30 60 1
1 {} {0.592852405275 0.151512783007 0.384088264743} H31 61 1
1 {} {0.591412139619 0.197483090626 0.153448299345} H32 62 1
1 {} {0.674459995753 0.452219972121 0.541257800082} H33 63 1
1 {} {0.684179945942 0.480608885127 0.383976138886} H34 64 1
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1 {} {0.627063930393 0.536726061717 0.659992042388} H36 66 1
1 {} {0.563353461859 0.614862344831 0.416361706884} H37 67 1
1 {} {0.630012676768 0.684538698911 0.426854164832} H38 68 1
1 {} {0.607780413675 0.55795551765 0.269068684126} H39 69 1
1 {} {0.655773321013 0.600034479299 0.274790354659} H40 70 1
1 {} {0.717575645574 0.572352732881 0.652192659165} H41 71 1
1 {} {0.713162073358 0.648582425876 0.607128705986} H42 72 1
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