#MD System 2.0 @Title neb0_image06 @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 {} {0.367261579361 0.571053640065 0.412456830293} C1 1 1 14 {} {0.34437946402 0.544518423598 0.522814083812} Si1 2 1 14 {} {0.428847767639 0.58071128927 0.407982957545} Si2 3 1 8 {} {0.357572073734 0.601344797743 0.598682060427} O1 4 1 8 {} {0.28947120286 0.542723085563 0.515619043983} O2 5 1 6 {} {0.363346152679 0.459329004295 0.557437729225} C2 6 1 6 {} {0.458056444331 0.498653882811 0.393128907655} C3 7 1 8 {} {0.442085380242 0.616321498132 0.50648674093} O3 8 1 8 {} {0.44103178127 0.63341659227 0.325539768188} O4 9 1 14 {} {0.239109805254 0.547433203039 0.556883316075} Si3 10 1 7 {} {0.219461103912 0.469253114009 0.591095662467} N1 11 1 14 {} {0.197063942779 0.460985547711 0.698626702618} Si4 12 1 14 {} {0.219992424179 0.401552570361 0.515981535936} Si5 13 1 7 {} {0.213893555359 0.422544230945 0.405450696668} N2 14 1 7 {} {0.146592882017 0.499952688352 0.718922032862} N3 15 1 1 {} {0.357815030103 0.535328341295 0.359748690537} H1 16 1 1 {} {0.352200274049 0.619676599744 0.395033586939} H2 17 1 1 {} {0.387469301746 0.619579343373 0.588969445391} H3 18 1 1 {} {0.354708828354 0.420726979778 0.508093871175} H4 19 1 1 {} {0.347632590686 0.445481428441 0.621090435539} H5 20 1 1 {} {0.399661772578 0.458075310323 0.567411425276} H6 21 1 1 {} {0.493996425317 0.507545331819 0.39048805615} H7 22 1 1 {} {0.448702817803 0.474495219661 0.330027556963} H8 23 1 1 {} {0.451586818955 0.46340099908 0.447759701523} H9 24 1 1 {} {0.47307477784 0.629521207183 0.513192080932} H10 25 1 1 {} {0.472419139613 0.631927452372 0.309072943201} H11 26 1 1 {} {0.23741142763 0.591596415772 0.637130217405} H12 27 1 1 {} {0.210208395944 0.575471956685 0.485291227501} H13 28 1 1 {} {0.190368851458 0.387910703673 0.712902006927} H14 29 1 1 {} {0.228598035155 0.490187308914 0.764661538741} H15 30 1 1 {} {0.263243647528 0.364962519917 0.521861021414} H16 31 1 1 {} {0.182366002031 0.35701553803 0.542669705424} H17 32 1 1 {} {0.240920724823 0.437451985975 0.36966371376} H18 33 1 1 {} {0.185951684846 0.446240298927 0.383481084682} H19 34 1 1 {} {0.145821503511 0.549608674191 0.733696725095} H20 35 1 1 {} {0.11857538011 0.486206459887 0.68526191926} H21 36 1 6 {} {0.624576509836 0.621756648319 0.350703727028} C4 37 1 14 {} {0.581352415344 0.560004840257 0.388476198368} Si6 38 1 14 {} {0.617974340962 0.710097071942 0.38748020696} Si7 39 1 8 {} {0.533120157203 0.601305635648 0.383425882747} O5 40 1 8 {} {0.580614691094 0.495446019642 0.321088004619} O6 41 1 6 {} {0.591324270078 0.527055145186 0.503304068771} C5 42 1 6 {} {0.635559953819 0.72704931615 0.504817274179} C6 43 1 8 {} {0.563072314267 0.725549675205 0.376082625418} O7 44 1 8 {} {0.645189574357 0.759691121675 0.317427720674} O8 45 1 14 {} {0.574280144111 0.43447534961 0.248618838873} Si8 46 1 7 {} {0.586749718211 0.356320366922 0.291568485125} N4 47 1 14 {} {0.543101932933 0.299843170849 0.314804929575} Si9 48 1 14 {} {0.641308657523 0.330823481995 0.316703613604} Si10 49 1 7 {} {0.682271942395 0.377089370827 0.265424188156} N5 50 1 7 {} {0.519348246544 0.25674118333 0.227731942857} N6 51 1 1 {} {0.658160468015 0.603899036603 0.368852996233} H22 52 1 1 {} {0.622720393051 0.622294794035 0.277062380368} H23 53 1 1 {} {0.537901915878 0.650335426222 0.379345895352} H24 54 1 1 {} {0.623272385596 0.500062650166 0.5071480183} H25 55 1 1 {} {0.564810081798 0.491901653384 0.522833435878} H26 56 1 1 {} {0.591939654946 0.5675927803 0.552920368573} H27 57 1 1 {} {0.630259733602 0.779820407701 0.522872968276} H28 58 1 1 {} {0.671130518799 0.715597022969 0.514092243503} H29 59 1 1 {} {0.616541815137 0.696446683092 0.552465372187} H30 60 1 1 {} {0.55198346463 0.771035493029 0.372875826258} H31 61 1 1 {} {0.663106489151 0.795311782602 0.342533484393} H32 62 1 1 {} {0.526666885366 0.432259620268 0.219613299331} H33 63 1 1 {} {0.603523525506 0.450310420714 0.170935327963} H34 64 1 1 {} {0.563090692853 0.24909982377 0.37601490536} H35 65 1 1 {} {0.50630458876 0.33784530587 0.358102372961} H36 66 1 1 {} {0.650647953815 0.336866789763 0.414207167127} H37 67 1 1 {} {0.645224856089 0.259393203884 0.288503121675} H38 68 1 1 {} {0.695808774191 0.417674380034 0.295766131135} H39 69 1 1 {} {0.685378768189 0.37986271045 0.198092065259} H40 70 1 1 {} {0.496981495005 0.279737986001 0.18701493748} H41 71 1 1 {} {0.536724007298 0.221136230745 0.194026557378} 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