#MD System 2.0 @Title neb0_image04 @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 {} {0.363763546671 0.561039961615 0.412874235927} C1 1 1 14 {} {0.340476974862 0.534367330701 0.523550240611} Si1 2 1 14 {} {0.425505187821 0.571774497529 0.408467084258} Si2 3 1 8 {} {0.353632138686 0.591142391198 0.599578099024} O1 4 1 8 {} {0.285522654575 0.532514915247 0.516603652968} O2 5 1 6 {} {0.359424236837 0.44917259443 0.558260088691} C2 6 1 6 {} {0.456660435629 0.491501198268 0.393805644074} C3 7 1 8 {} {0.438334662779 0.606885568043 0.507398677304} O3 8 1 8 {} {0.438371340905 0.623353262997 0.325291755742} O4 9 1 14 {} {0.235079271042 0.537076597762 0.557841959616} Si3 10 1 7 {} {0.215394675942 0.459035167635 0.592011535549} N1 11 1 14 {} {0.192934022171 0.45074881092 0.699410977731} Si4 12 1 14 {} {0.215951137997 0.391370366139 0.516963968802} Si5 13 1 7 {} {0.209891506072 0.412709528293 0.406612187649} N2 14 1 7 {} {0.142505716406 0.489787425894 0.719551403764} N3 15 1 1 {} {0.353760650082 0.525288125069 0.360568662215} H1 16 1 1 {} {0.34814397039 0.609376132555 0.395869569138} H2 17 1 1 {} {0.383494098052 0.609549076913 0.589952234411} H3 18 1 1 {} {0.350701620321 0.410591374952 0.508923451129} H4 19 1 1 {} {0.343708249908 0.435374157589 0.621970306854} H5 20 1 1 {} {0.395755571848 0.447958849169 0.568228116548} H6 21 1 1 {} {0.492619941098 0.501217574929 0.390648869867} H7 22 1 1 {} {0.447050992013 0.467330313092 0.330793332147} H8 23 1 1 {} {0.450496837585 0.456028826937 0.448305958405} H9 24 1 1 {} {0.469101939773 0.621373037038 0.513535216115} H10 25 1 1 {} {0.470348100074 0.625805916601 0.314010484903} H11 26 1 1 {} {0.233358817948 0.581340698028 0.638106201936} H12 27 1 1 {} {0.206220719065 0.565274897316 0.48619185844} H13 28 1 1 {} {0.186227850617 0.377654832816 0.71373360624} H14 29 1 1 {} {0.224480037538 0.47994077713 0.765486941336} H15 30 1 1 {} {0.259261227177 0.354827238173 0.522772076302} H16 31 1 1 {} {0.178376813838 0.34664626216 0.543532706369} H17 32 1 1 {} {0.236886219013 0.42718619771 0.37044551044} H18 33 1 1 {} {0.181857108573 0.435923742259 0.384308958328} H19 34 1 1 {} {0.141733126206 0.539374074864 0.734619866927} H20 35 1 1 {} {0.114465670776 0.476040682756 0.686040787057} H21 36 1 6 {} {0.627047737004 0.631631766134 0.350105360338} C4 37 1 14 {} {0.584076501584 0.569093150726 0.387557163409} Si6 38 1 14 {} {0.621426461965 0.720154126775 0.386606572917} Si7 39 1 8 {} {0.533779700545 0.605044833706 0.382098550019} O5 40 1 8 {} {0.584730756932 0.504670235079 0.320420423772} O6 41 1 6 {} {0.594998374533 0.537179325005 0.502404371055} C5 42 1 6 {} {0.63955576589 0.737183823647 0.503805781891} C6 43 1 8 {} {0.566539680168 0.734938654613 0.375066497188} O7 44 1 8 {} {0.649246514421 0.769432568929 0.316791417783} O8 45 1 14 {} {0.578290173672 0.444254165909 0.247470705925} Si8 46 1 7 {} {0.590830691349 0.366181353569 0.290492394815} N4 47 1 14 {} {0.547199615473 0.309844023672 0.313984538446} Si9 48 1 14 {} {0.645379291032 0.340812837375 0.315770337283} Si10 49 1 7 {} {0.68647674983 0.386959115894 0.264625395286} N5 50 1 7 {} {0.523207993157 0.266677722077 0.227097108551} N6 51 1 1 {} {0.660447695424 0.613307245071 0.368897653218} H22 52 1 1 {} {0.626311279734 0.632438633377 0.276461097882} H23 53 1 1 {} {0.536067632754 0.653961391667 0.377233623498} H24 54 1 1 {} {0.627121510407 0.510617865677 0.505092382992} H25 55 1 1 {} {0.568911476042 0.501633578286 0.522744605303} H26 56 1 1 {} {0.595929477911 0.577694466294 0.552024129667} H27 57 1 1 {} {0.634295534046 0.789960516298 0.521998354118} H28 58 1 1 {} {0.675148022423 0.725788708953 0.513196985691} H29 59 1 1 {} {0.620578173287 0.706632708733 0.55158280263} H30 60 1 1 {} {0.556121592293 0.780822049983 0.372208740512} H31 61 1 1 {} {0.667087304139 0.805199587161 0.341883711025} H32 62 1 1 {} {0.530682921231 0.442351831312 0.218777540333} H33 63 1 1 {} {0.607538715301 0.460331492476 0.170008464845} H34 64 1 1 {} {0.567171422716 0.259170281589 0.375187506946} H35 65 1 1 {} {0.510457117318 0.347858488359 0.357251776537} H36 66 1 1 {} {0.654667325723 0.346895200403 0.413248294258} H37 67 1 1 {} {0.649163853037 0.269407619011 0.2876676456} H38 68 1 1 {} {0.699662378772 0.427826329064 0.294934038618} H39 69 1 1 {} {0.689418979842 0.389995087446 0.197261551832} H40 70 1 1 {} {0.501136225859 0.29006843298 0.186129068595} H41 71 1 1 {} {0.54072060757 0.231334626954 0.19319880471} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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