#MD System 2.0 @Title neb0_image05 @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 {} {0.214349842507 0.527017284256 0.323673505413} C1 1 1 14 {} {0.267860148708 0.489354452987 0.282408933556} Si1 2 1 14 {} {0.167609384595 0.535334950118 0.243387837309} Si2 3 1 8 {} {0.280587309316 0.52019687165 0.183338781241} O1 4 1 8 {} {0.306752323621 0.511966603024 0.354713264176} O2 5 1 6 {} {0.26615695373 0.396230289586 0.276654654262} C2 6 1 6 {} {0.13616676319 0.455524010797 0.225675773188} C3 7 1 8 {} {0.191676934897 0.562117067795 0.149393694395} O3 8 1 8 {} {0.132091919921 0.595554946621 0.272606795453} O4 9 1 14 {} {0.358250302939 0.539257311068 0.358342314807} Si3 10 1 7 {} {0.392030786085 0.47432378733 0.397254374849} N1 11 1 14 {} {0.443995414267 0.472734285753 0.347600325002} Si4 12 1 14 {} {0.373300501774 0.421282574854 0.483027758601} Si5 13 1 7 {} {0.344624868387 0.459658202333 0.568579394963} N2 14 1 7 {} {0.457620295579 0.556177695712 0.338850171644} N3 15 1 1 {} {0.202887524152 0.498864589588 0.382598526869} H1 16 1 1 {} {0.222566809125 0.577798476439 0.347361946239} H2 17 1 1 {} {0.255815586671 0.54268223638 0.15353767536} H3 18 1 1 {} {0.260674626654 0.372868355766 0.342148507695} H4 19 1 1 {} {0.297751102317 0.376885295322 0.249698068201} H5 20 1 1 {} {0.239370810983 0.379716328984 0.231487135046} H6 21 1 1 {} {0.109648268028 0.462124474148 0.175740650325} H7 22 1 1 {} {0.12050027952 0.438408089446 0.288056054772} H8 23 1 1 {} {0.158095705735 0.415062830683 0.202327014791} H9 24 1 1 {} {0.17273360774 0.585055167565 0.106384634025} H10 25 1 1 {} {0.103743935252 0.582036488812 0.298240029224} H11 26 1 1 {} {0.374360932477 0.559351614872 0.26865609758} H12 27 1 1 {} {0.35868462943 0.597571130652 0.421000538153} H13 28 1 1 {} {0.473407248405 0.430333293871 0.405008819897} H14 29 1 1 {} {0.446480398625 0.444087716131 0.255311748583} H15 30 1 1 {} {0.341864634047 0.371065197464 0.445251669237} H16 31 1 1 {} {0.413302270182 0.387991577007 0.522179566507} H17 32 1 1 {} {0.31313627464 0.476083308057 0.557837300659} H18 33 1 1 {} {0.36036274951 0.490589213884 0.612496490787} H19 34 1 1 {} {0.487985900667 0.565897565197 0.312599634898} H20 35 1 1 {} {0.453402834738 0.583137481611 0.395428832882} H21 36 1 6 {} {0.651993149671 0.6408436998 0.488155743395} C4 37 1 14 {} {0.6114333148 0.576607205985 0.447549398799} Si6 38 1 14 {} {0.645272914333 0.727078152769 0.442378004413} Si7 39 1 8 {} {0.599938978444 0.585517756249 0.339649259433} O5 40 1 8 {} {0.630455180224 0.500826313788 0.465335746963} O6 41 1 6 {} {0.557984000497 0.581383064712 0.509142034195} C5 42 1 6 {} {0.596595173288 0.775896523545 0.487417526448} C6 43 1 8 {} {0.639893370112 0.715232458545 0.332166879542} O7 44 1 8 {} {0.691905890507 0.77110301197 0.45627615497} O8 45 1 14 {} {0.637668098054 0.422211952028 0.436872191739} Si8 46 1 7 {} {0.591627213529 0.37132743785 0.455238381598} N4 47 1 14 {} {0.571623501327 0.321107568783 0.36587966129} Si9 48 1 14 {} {0.566774218018 0.366516503066 0.560273498684} Si10 49 1 7 {} {0.602173859171 0.385411078594 0.647581354671} N5 50 1 7 {} {0.606181143491 0.258181674982 0.327310815531} N6 51 1 1 {} {0.646361451898 0.642317403184 0.56084895263} H22 52 1 1 {} {0.687117139434 0.626165612143 0.477662427991} H23 53 1 1 {} {0.61394368713 0.624338899096 0.311158334301} H24 54 1 1 {} {0.560964343382 0.580509402823 0.581849480201} H25 55 1 1 {} {0.540495363361 0.535844324283 0.486872409116} H26 56 1 1 {} {0.538293052019 0.624943032688 0.489311367179} H27 57 1 1 {} {0.595471006317 0.826384003426 0.458094239455} H28 58 1 1 {} {0.598449002603 0.781965555588 0.560265953112} H29 59 1 1 {} {0.564387029713 0.75193214126 0.472469764313} H30 60 1 1 {} {0.647347541926 0.752040001941 0.292795590416} H31 61 1 1 {} {0.692212049108 0.803794327842 0.503223171022} H32 62 1 1 {} {0.648403695127 0.417212296438 0.34015507737} H33 63 1 1 {} {0.676750921312 0.400890801182 0.491739866796} H34 64 1 1 {} {0.530019064427 0.289446791194 0.399643422589} H35 65 1 1 {} {0.563594176944 0.364498161816 0.286278598937} H36 66 1 1 {} {0.529373217365 0.414953974425 0.56900003198} H37 67 1 1 {} {0.54993204867 0.296842294729 0.572393252006} H38 68 1 1 {} {0.608101593505 0.434818809714 0.663618614547} H39 69 1 1 {} {0.629384486846 0.35649363132 0.661574766522} H40 70 1 1 {} {0.630508486443 0.268940494526 0.283522985314} H41 71 1 1 {} {0.615198536735 0.219385752263 0.367244682571} 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