#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 WyckoffPosition int -1 @end @data 6 {} {0.20519546009 0.528699638149 0.310120216657} C1 1 1 14 {} {0.258940037451 0.491559006684 0.267995188111} Si1 2 1 14 {} {0.158451763658 0.537269860063 0.229110020128} Si2 3 1 8 {} {0.271771196818 0.524870920001 0.170196187404} O1 4 1 8 {} {0.298685973053 0.511789338367 0.338856372645} O2 5 1 6 {} {0.257050665013 0.398306862133 0.261071173948} C2 6 1 6 {} {0.126841590056 0.457514050834 0.211099463921} C3 7 1 8 {} {0.182834902093 0.56322564741 0.134538009394} O3 8 1 8 {} {0.12300498451 0.598285840412 0.255899683888} O4 9 1 14 {} {0.350556854298 0.541219440719 0.344188325256} Si3 10 1 7 {} {0.385351282868 0.477718731207 0.385751688065} N1 11 1 14 {} {0.439740770266 0.476436459365 0.344503265107} Si4 12 1 14 {} {0.364893106613 0.423552515608 0.469230385508} Si5 13 1 7 {} {0.335822173061 0.461732697087 0.553783137035} N2 14 1 7 {} {0.461787156747 0.556295408794 0.350629419869} N3 15 1 1 {} {0.19354759496 0.500037432698 0.368470277986} H1 16 1 1 {} {0.212993286474 0.579713251368 0.333758261883} H2 17 1 1 {} {0.246040017209 0.544765853905 0.139371313094} H3 18 1 1 {} {0.251892841021 0.375683878908 0.327001202117} H4 19 1 1 {} {0.288784906015 0.379367857159 0.234392626509} H5 20 1 1 {} {0.230316273863 0.381431625743 0.216440435596} H6 21 1 1 {} {0.100273986242 0.463669269728 0.160993397299} H7 22 1 1 {} {0.111303262788 0.439780714956 0.273382576616} H8 23 1 1 {} {0.149285529776 0.417606377297 0.187559441119} H9 24 1 1 {} {0.164426627744 0.586054098622 0.0915392124618} H10 25 1 1 {} {0.094728702202 0.585959172193 0.281913768555} H11 26 1 1 {} {0.367024814817 0.561085178153 0.253796888232} H12 27 1 1 {} {0.349319540867 0.599847967625 0.405455390714} H13 28 1 1 {} {0.463748825354 0.423861471929 0.397577832823} H14 29 1 1 {} {0.44163996792 0.45895884916 0.247765666406} H15 30 1 1 {} {0.333438859633 0.374591122583 0.428253528033} H16 31 1 1 {} {0.404252164256 0.38980268014 0.507729450685} H17 32 1 1 {} {0.303969409822 0.477960500018 0.542935317629} H18 33 1 1 {} {0.351719398547 0.491828849868 0.597648412003} H19 34 1 1 {} {0.484652223397 0.570839694521 0.304697817996} H20 35 1 1 {} {0.467417454505 0.578543717872 0.411317795678} H21 36 1 6 {} {0.65521788826 0.637623669026 0.502912687319} C4 37 1 14 {} {0.615592540417 0.573227056331 0.455028686541} Si6 38 1 14 {} {0.652645083025 0.723896278749 0.457976661667} Si7 39 1 8 {} {0.613226421792 0.581524131505 0.345095956622} O5 40 1 8 {} {0.635284366686 0.498455396518 0.479298417287} O6 41 1 6 {} {0.558510025009 0.579273455749 0.504344189904} C5 42 1 6 {} {0.605186699903 0.774256162499 0.502651678881} C6 43 1 8 {} {0.648376601405 0.713095273048 0.347237826724} O7 44 1 8 {} {0.700168183801 0.764849294165 0.473275142785} O8 45 1 14 {} {0.645746653275 0.420764450152 0.451810227081} Si8 46 1 7 {} {0.600477954034 0.368231739612 0.46894035564} N4 47 1 14 {} {0.581535696914 0.319155079829 0.381862177968} Si9 48 1 14 {} {0.575535886931 0.365200229556 0.575346749997} Si10 49 1 7 {} {0.612328311337 0.384917207979 0.664837450146} N5 50 1 7 {} {0.615471743933 0.256898129072 0.344183846919} N6 51 1 1 {} {0.65116482651 0.638829281231 0.575982385622} H22 52 1 1 {} {0.689099701808 0.618283603712 0.490329746191} H23 53 1 1 {} {0.625491396478 0.624009754305 0.323596854435} H24 54 1 1 {} {0.558880200868 0.569545820351 0.576426020622} H25 55 1 1 {} {0.536390487869 0.542296628217 0.472752950621} H26 56 1 1 {} {0.544016163852 0.629357548734 0.493255504704} H27 57 1 1 {} {0.604327510228 0.824611218915 0.473224190752} H28 58 1 1 {} {0.607233813918 0.779758233931 0.575518672546} H29 59 1 1 {} {0.573153945813 0.750168924774 0.487484283207} H30 60 1 1 {} {0.65644651053 0.750323822968 0.309580608983} H31 61 1 1 {} {0.700704101736 0.800476552788 0.518475872512} H32 62 1 1 {} {0.657665177283 0.415644341948 0.353868008186} H33 63 1 1 {} {0.685199153219 0.400174369372 0.506151235189} H34 64 1 1 {} {0.539096399279 0.287328890083 0.413573609007} H35 65 1 1 {} {0.572759224844 0.3625507182 0.300763650567} H36 66 1 1 {} {0.538854449168 0.414211002874 0.581808942799} H37 67 1 1 {} {0.558966533586 0.295556356034 0.587499439786} H38 68 1 1 {} {0.61751835739 0.430593652626 0.677178792382} H39 69 1 1 {} {0.637404929263 0.355967946458 0.675448675565} H40 70 1 1 {} {0.640948379608 0.267895413851 0.298213288642} H41 71 1 1 {} {0.625348927459 0.218485329784 0.384900208647} 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