#MD System 2.0 @Title neb0_image07 @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 {} {0.219994620552 0.526142502146 0.333837244289} C1 1 1 14 {} {0.273570720688 0.488861138631 0.292043504992} Si1 2 1 14 {} {0.173447994132 0.53463291219 0.253296163273} Si2 3 1 8 {} {0.286389590389 0.520224885108 0.193154545077} O1 4 1 8 {} {0.312108361704 0.511568165172 0.364277325871} O2 5 1 6 {} {0.272228479026 0.395495202588 0.286077615304} C2 6 1 6 {} {0.142127280425 0.454878065338 0.235575664073} C3 7 1 8 {} {0.197882882395 0.561444285119 0.159677549447} O3 8 1 8 {} {0.13801297496 0.595041739282 0.281634141014} O4 9 1 14 {} {0.364136567376 0.53783791367 0.36740041746} Si3 10 1 7 {} {0.396481677788 0.471455684857 0.406092599905} N1 11 1 14 {} {0.447053583108 0.469994083158 0.350075111741} Si4 12 1 14 {} {0.379001040898 0.419968975803 0.493227521381} Si5 13 1 7 {} {0.350378485783 0.458059108885 0.579644059649} N2 14 1 7 {} {0.453959754094 0.558539585971 0.332421488412} N3 15 1 1 {} {0.208692680764 0.497526914103 0.392537513864} H1 16 1 1 {} {0.228436940469 0.576776428168 0.358014934388} H2 17 1 1 {} {0.261310428013 0.542162562542 0.163148423058} H3 18 1 1 {} {0.266976824248 0.372301396882 0.351764175316} H4 19 1 1 {} {0.30396245185 0.376468410441 0.25931381476} H5 20 1 1 {} {0.2454899137 0.378681921046 0.241132689981} H6 21 1 1 {} {0.115586300545 0.461123130464 0.18558726532} H7 22 1 1 {} {0.126518901849 0.437448132056 0.297897012218} H8 23 1 1 {} {0.1643389104 0.414726309321 0.212252922387} H9 24 1 1 {} {0.179119915848 0.583807149051 0.115892591627} H10 25 1 1 {} {0.109615802342 0.582044518075 0.307380280093} H11 26 1 1 {} {0.38003366707 0.557565241536 0.277618739265} H12 27 1 1 {} {0.36506031852 0.596589103566 0.429870202971} H13 28 1 1 {} {0.478403534285 0.433231421314 0.411685496488} H14 29 1 1 {} {0.452272330992 0.439032630772 0.260605303017} H15 30 1 1 {} {0.347270274456 0.368864627373 0.455272510602} H16 31 1 1 {} {0.419365113725 0.386656624421 0.532256333956} H17 32 1 1 {} {0.319050352732 0.475573174403 0.568188909158} H18 33 1 1 {} {0.366248480086 0.489462329742 0.622754188254} H19 34 1 1 {} {0.487620421335 0.563884389987 0.318089425773} H20 35 1 1 {} {0.444827533032 0.584421488546 0.393841703383} H21 36 1 6 {} {0.648791353358 0.64196024943 0.478759520111} C4 37 1 14 {} {0.608169751263 0.578770559215 0.439246057034} Si6 38 1 14 {} {0.639464960639 0.72782506909 0.432514169282} Si7 39 1 8 {} {0.594482948354 0.587066257734 0.334200461919} O5 40 1 8 {} {0.625353406745 0.501579457626 0.454868679932} O6 41 1 6 {} {0.557376885617 0.583262008056 0.508334154121} C5 42 1 6 {} {0.59036363019 0.776465440738 0.478010608664} C6 43 1 8 {} {0.633605056347 0.716213658667 0.322566084572} O7 44 1 8 {} {0.686223414743 0.772462601318 0.446659284723} O8 45 1 14 {} {0.63185800121 0.422912272123 0.427667455617} Si8 46 1 7 {} {0.585480219332 0.371129345461 0.444163031562} N4 47 1 14 {} {0.566076855659 0.322069652962 0.356558664848} Si9 48 1 14 {} {0.561267500302 0.367435787056 0.552546893972} Si10 49 1 7 {} {0.597364721449 0.386577170005 0.638058793507} N5 50 1 7 {} {0.600215219896 0.259014467916 0.317916000622} N6 51 1 1 {} {0.63990200109 0.642500497359 0.550166327245} H22 52 1 1 {} {0.684238810818 0.628291318456 0.469523120874} H23 53 1 1 {} {0.607491919033 0.624514090381 0.301596323025} H24 54 1 1 {} {0.559843965538 0.58590050681 0.581779516167} H25 55 1 1 {} {0.546722504596 0.533300165862 0.485944750787} H26 56 1 1 {} {0.535756739878 0.622504898147 0.483174334928} H27 57 1 1 {} {0.58942167219 0.827098577032 0.448509678042} H28 58 1 1 {} {0.592202465868 0.782635353198 0.550989290423} H29 59 1 1 {} {0.558007380913 0.752891901306 0.462897623061} H30 60 1 1 {} {0.641055123287 0.753016976968 0.283340652915} H31 61 1 1 {} {0.685857800786 0.805116396638 0.494262656664} H32 62 1 1 {} {0.642313898884 0.417795848358 0.329597282227} H33 63 1 1 {} {0.670812281382 0.401758626179 0.482098581691} H34 64 1 1 {} {0.524133409656 0.28973349706 0.389599994599} H35 65 1 1 {} {0.557757065881 0.365108052452 0.276889212523} H36 66 1 1 {} {0.524173216563 0.417030503516 0.561679712265} H37 67 1 1 {} {0.54370318018 0.297914709318 0.56329492037} H38 68 1 1 {} {0.602317913007 0.434404414511 0.653869459097} H39 69 1 1 {} {0.623571841196 0.357782510768 0.652226301386} H40 70 1 1 {} {0.6252584241 0.270122118826 0.274044576265} H41 71 1 1 {} {0.610067184246 0.22064580334 0.358714463698} 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