#MD System 2.0 @Title neb0_image01 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 WyckoffPosition int -1 @end @data 6 {} {0.202551504836 0.529217989293 0.305576379545} C1 1 1 14 {} {0.256426546896 0.492093737063 0.263754885632} Si1 2 1 14 {} {0.155845899402 0.537637741711 0.224647413006} Si2 3 1 8 {} {0.268979857131 0.525115338979 0.165824429793} O1 4 1 8 {} {0.296495115659 0.512275176814 0.334579033884} O2 5 1 6 {} {0.254448327726 0.398918638391 0.256879231101} C2 6 1 6 {} {0.124250302558 0.457987714344 0.2069260056} C3 7 1 8 {} {0.180276368823 0.563365264702 0.130249329675} O3 8 1 8 {} {0.120515589324 0.598750592594 0.251889945437} O4 9 1 14 {} {0.347937864886 0.541403274612 0.339848956473} Si3 10 1 7 {} {0.382717001876 0.478551629297 0.381649518459} N1 11 1 14 {} {0.437141504099 0.476906438524 0.340771156714} Si4 12 1 14 {} {0.362300118454 0.424260279674 0.464336157829} Si5 13 1 7 {} {0.333103225042 0.462011793463 0.549726669049} N2 14 1 7 {} {0.459182263175 0.55659685502 0.34691816198} N3 15 1 1 {} {0.1908837183 0.500632835965 0.364034706007} H1 16 1 1 {} {0.210393834417 0.580076519054 0.3296579944} H2 17 1 1 {} {0.2435174177 0.545445196131 0.135156600228} H3 18 1 1 {} {0.24928411864 0.375899615225 0.322695230117} H4 19 1 1 {} {0.286164906264 0.379887055452 0.23013053783} H5 20 1 1 {} {0.227662731288 0.381916847532 0.212158389548} H6 21 1 1 {} {0.0977368360529 0.464246768252 0.156861375918} H7 22 1 1 {} {0.108688378295 0.440313580694 0.269124921694} H8 23 1 1 {} {0.146610921093 0.418115488905 0.183322046946} H9 24 1 1 {} {0.161795106874 0.586636658315 0.0872284258321} H10 25 1 1 {} {0.0921284255335 0.586332709597 0.277727789426} H11 26 1 1 {} {0.364346100558 0.561458474227 0.250064247249} H12 27 1 1 {} {0.346742683766 0.600206824585 0.400926923873} H13 28 1 1 {} {0.461066307599 0.424357960028 0.393198280177} H14 29 1 1 {} {0.439180535025 0.459582034166 0.243960755364} H15 30 1 1 {} {0.33084405632 0.375154470075 0.423950051023} H16 31 1 1 {} {0.401769981018 0.39000326602 0.503532521623} H17 32 1 1 {} {0.301464901047 0.478458874392 0.538655911602} H18 33 1 1 {} {0.349045989126 0.492506313968 0.593634616024} H19 34 1 1 {} {0.481963506135 0.571546492139 0.300919043244} H20 35 1 1 {} {0.465024136491 0.578850505402 0.40691461964} H21 36 1 6 {} {0.657682898761 0.636767414517 0.507023175868} C4 37 1 14 {} {0.618209349097 0.572844673684 0.459239121351} Si6 38 1 14 {} {0.655340360413 0.723380862807 0.462057444959} Si7 39 1 8 {} {0.615980875518 0.581029891888 0.349572013686} O5 40 1 8 {} {0.638054898275 0.4981520468 0.483597840935} O6 41 1 6 {} {0.561054410734 0.578901358527 0.508308159715} C5 42 1 6 {} {0.607720648905 0.773809085789 0.506821208336} C6 43 1 8 {} {0.65136788805 0.712435467877 0.351584358103} O7 44 1 8 {} {0.702855884997 0.76493659327 0.477702586883} O8 45 1 14 {} {0.648562525977 0.420234338956 0.455649810892} Si8 46 1 7 {} {0.603169984406 0.368087861695 0.473676127166} N4 47 1 14 {} {0.58357992867 0.318892170728 0.385153867249} Si9 48 1 14 {} {0.578506197906 0.364582963985 0.580076818621} Si10 49 1 7 {} {0.613639146367 0.383430046646 0.667146082996} N5 50 1 7 {} {0.61856991914 0.256139761752 0.347801381997} N6 51 1 1 {} {0.653613467314 0.638267093526 0.580108715484} H22 52 1 1 {} {0.691767186611 0.618084743272 0.494466810465} H23 53 1 1 {} {0.628228938315 0.623419616771 0.327604771038} H24 54 1 1 {} {0.561104997323 0.56905521681 0.580485917027} H25 55 1 1 {} {0.538980459911 0.541937704076 0.47657261277} H26 56 1 1 {} {0.546576091483 0.628814482776 0.497364586315} H27 57 1 1 {} {0.606962857638 0.824264150375 0.477472992704} H28 58 1 1 {} {0.609821561303 0.779326638007 0.579783026398} H29 59 1 1 {} {0.575627036392 0.749673904134 0.491764336684} H30 60 1 1 {} {0.659161999671 0.749959470597 0.31364381718} H31 61 1 1 {} {0.703250813441 0.799814195613 0.52256282781} H32 62 1 1 {} {0.660057480403 0.415161400879 0.358881142244} H33 63 1 1 {} {0.687732956215 0.399764390011 0.51045082732} H34 64 1 1 {} {0.541805665852 0.286935083811 0.417959040276} H35 65 1 1 {} {0.575433426604 0.361693967146 0.305491250048} H36 66 1 1 {} {0.541213212794 0.413837802227 0.586369450188} H37 67 1 1 {} {0.561388663135 0.295085119438 0.591732224365} H38 68 1 1 {} {0.620225267925 0.432045172333 0.681844410427} H39 69 1 1 {} {0.640720206297 0.35439098087 0.680239036392} H40 70 1 1 {} {0.643152524975 0.267175126538 0.303357534392} H41 71 1 1 {} {0.628072047204 0.218251236377 0.388810547009} H42 72 1 @end @Columns Cell Constraints string {a b c A B G} Origin int {{0 0 0}} Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}} PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} SpaceGroup string P1 SpaceGroupNumber int 1 ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}} ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}} @end @data {a b c A B G} {0 0 0} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 56 41 0 0 50 47 0 0 2 0 0 0 58 42 0 0 44 38 0 0 70 50 0 0 69 49 0 0 34 14 0 0 48 46 0 0 52 36 0 0 6 2 0 0 49 48 0 0 62 45 0 0 21 6 0 0 7 2 0 0 22 6 0 0 8 2 0 0 27 9 0 0 33 13 0 0 37 36 0 0 23 6 0 0 59 42 0 0 12 10 0 0 54 41 0 0 51 36 0 0 61 44 0 0 16 0 0 0 19 5 0 0 20 5 0 0 13 12 0 0 1 0 0 0 43 38 0 0 10 9 0 0 68 49 0 0 53 39 0 0 3 1 0 0 47 46 0 0 60 43 0 0 4 1 0 0 18 5 0 0 5 1 0 0 67 48 0 0 26 9 0 0 32 13 0 0 46 45 0 0 17 3 0 0 11 10 0 0 9 4 0 0 15 0 0 0 25 8 0 0 31 12 0 0 42 38 0 0 64 47 0 0 24 7 0 0 29 11 0 0 40 37 0 0 39 37 0 0 41 37 0 0 66 48 0 0 57 42 0 0 38 36 0 0 65 47 0 0 30 12 0 0 28 11 0 0 71 50 0 0 45 40 0 0 35 14 0 0 55 41 0 0 14 11 0 0 63 45 0 0 @end @Columns Bond AsymmetricBond reference AsymmetricBond Atom1 reference Atom Atom2 reference Atom CellOffset2 int {{0 0 0}} Key int 0 @end @data 0 56 41 {0 0 0} 0 1 47 50 {0 0 0} 0 2 0 2 {0 0 0} 0 3 58 42 {0 0 0} 0 4 38 44 {0 0 0} 0 5 50 70 {0 0 0} 0 6 49 69 {0 0 0} 0 7 14 34 {0 0 0} 0 8 46 48 {0 0 0} 0 9 36 52 {0 0 0} 0 10 2 6 {0 0 0} 0 11 48 49 {0 0 0} 0 12 45 62 {0 0 0} 0 13 21 6 {0 0 0} 0 14 7 2 {0 0 0} 0 15 22 6 {0 0 0} 0 16 8 2 {0 0 0} 0 17 9 27 {0 0 0} 0 18 13 33 {0 0 0} 0 19 36 37 {0 0 0} 0 20 23 6 {0 0 0} 0 21 59 42 {0 0 0} 0 22 10 12 {0 0 0} 0 23 41 54 {0 0 0} 0 24 51 36 {0 0 0} 0 25 44 61 {0 0 0} 0 26 0 16 {0 0 0} 0 27 5 19 {0 0 0} 0 28 5 20 {0 0 0} 0 29 12 13 {0 0 0} 0 30 0 1 {0 0 0} 0 31 38 43 {0 0 0} 0 32 10 9 {0 0 0} 0 33 49 68 {0 0 0} 0 34 39 53 {0 0 0} 0 35 3 1 {0 0 0} 0 36 46 47 {0 0 0} 0 37 43 60 {0 0 0} 0 38 4 1 {0 0 0} 0 39 18 5 {0 0 0} 0 40 1 5 {0 0 0} 0 41 48 67 {0 0 0} 0 42 9 26 {0 0 0} 0 43 13 32 {0 0 0} 0 44 45 46 {0 0 0} 0 45 3 17 {0 0 0} 0 46 10 11 {0 0 0} 0 47 4 9 {0 0 0} 0 48 15 0 {0 0 0} 0 49 8 25 {0 0 0} 0 50 12 31 {0 0 0} 0 51 38 42 {0 0 0} 0 52 64 47 {0 0 0} 0 53 7 24 {0 0 0} 0 54 11 29 {0 0 0} 0 55 40 37 {0 0 0} 0 56 39 37 {0 0 0} 0 57 37 41 {0 0 0} 0 58 66 48 {0 0 0} 0 59 42 57 {0 0 0} 0 60 38 36 {0 0 0} 0 61 65 47 {0 0 0} 0 62 30 12 {0 0 0} 0 63 28 11 {0 0 0} 0 64 50 71 {0 0 0} 0 65 45 40 {0 0 0} 0 66 14 35 {0 0 0} 0 67 55 41 {0 0 0} 0 68 11 14 {0 0 0} 0 69 63 45 {0 0 0} 0 @end @Columns Subset Color string {{#65d9f0}} Criteria string {{}} DisplayLine int 0 IeqJ int 1 IgtJ int 0 IltJ int 0 Length int 1 Name string {{}} Table string {{}} Type string atom UseColor int 0 @end @data @end