#MD System 2.0 @Title neb0_image03 @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 {} {0.361860215701 0.556193768082 0.413291676888} C1 1 1 14 {} {0.338588268311 0.529714844809 0.523861428447} Si1 2 1 14 {} {0.423549232407 0.566851504307 0.408933519885} Si2 3 1 8 {} {0.351776329943 0.586438850759 0.59991074048} O1 4 1 8 {} {0.283695378527 0.528280643991 0.516722195165} O2 5 1 6 {} {0.357468952989 0.444458144573 0.558623842562} C2 6 1 6 {} {0.454565231493 0.48649745831 0.394281909512} C3 7 1 8 {} {0.436495467461 0.601858295468 0.507891578931} O3 8 1 8 {} {0.436472494108 0.618515509465 0.326026289471} O4 9 1 14 {} {0.233211731037 0.532731668263 0.558176951214} Si3 10 1 7 {} {0.213632408385 0.454390078583 0.592336085386} N1 11 1 14 {} {0.191187346467 0.446092116883 0.699855174789} Si4 12 1 14 {} {0.214140505635 0.386682738059 0.517199983519} Si5 13 1 7 {} {0.208030096499 0.407860896424 0.406756666762} N2 14 1 7 {} {0.140724886815 0.485156449699 0.720012856465} N3 15 1 1 {} {0.351961314277 0.520453683697 0.360876146962} H1 16 1 1 {} {0.346385912965 0.604633129512 0.396152620902} H2 17 1 1 {} {0.381690488497 0.604766959157 0.59037428324} H3 18 1 1 {} {0.348805756492 0.405836846463 0.509268200857} H4 19 1 1 {} {0.341748353307 0.430606385987 0.622304967846} H5 20 1 1 {} {0.393795486995 0.443216250956 0.568642557484} H6 21 1 1 {} {0.49061140484 0.496066718717 0.391326126683} H7 22 1 1 {} {0.445035134115 0.462104899488 0.331332586665} H8 23 1 1 {} {0.448312577232 0.451049512755 0.448862293074} H9 24 1 1 {} {0.46735856626 0.615914233874 0.513908840253} H10 25 1 1 {} {0.468434129734 0.61949654648 0.314283480433} H11 26 1 1 {} {0.23153218668 0.576740823848 0.638451030344} H12 27 1 1 {} {0.204309750679 0.560624899115 0.486600044028} H13 28 1 1 {} {0.184460126504 0.373071101989 0.714077754526} H14 29 1 1 {} {0.22270693471 0.475286810406 0.765830378204} H15 30 1 1 {} {0.257365843868 0.350117286302 0.523064305621} H16 31 1 1 {} {0.176507857532 0.342193844407 0.54388473338} H17 32 1 1 {} {0.235059097721 0.422586814533 0.370794316864} H18 33 1 1 {} {0.180062183593 0.431352212186 0.384693739731} H19 34 1 1 {} {0.139934822056 0.534799138426 0.734950732906} H20 35 1 1 {} {0.112683451989 0.471346190024 0.686533569827} H21 36 1 6 {} {0.629018225372 0.636392542649 0.349703000702} C4 37 1 14 {} {0.585931028785 0.57400463099 0.387174449759} Si6 38 1 14 {} {0.623301089492 0.724837508094 0.386238380965} Si7 39 1 8 {} {0.535981935205 0.610711815198 0.381678386495} O5 40 1 8 {} {0.586406874049 0.509447114323 0.319956784096} O6 41 1 6 {} {0.596736654231 0.541993504757 0.502073234467} C5 42 1 6 {} {0.641387404176 0.741855818443 0.50345617336} C6 43 1 8 {} {0.568433048643 0.739716637946 0.374812567457} O7 44 1 8 {} {0.651032636715 0.774217206827 0.316330575571} O8 45 1 14 {} {0.580158642237 0.448924855407 0.247232654593} Si8 46 1 7 {} {0.59270206389 0.370963114272 0.290176789153} N4 47 1 14 {} {0.54907342725 0.314553855041 0.313508109271} Si9 48 1 14 {} {0.647244402836 0.345622205401 0.31532603445} Si10 49 1 7 {} {0.688253961466 0.391810995788 0.264236567263} N5 50 1 7 {} {0.525187314405 0.271481299374 0.226464187418} N6 51 1 1 {} {0.662431247199 0.618058759315 0.368353504417} H22 52 1 1 {} {0.628119047042 0.637145588177 0.27604677654} H23 53 1 1 {} {0.53887210546 0.659805258681 0.377237617438} H24 54 1 1 {} {0.628826409006 0.515372447865 0.505007110062} H25 55 1 1 {} {0.570577679069 0.506530061769 0.522317651687} H26 56 1 1 {} {0.597613651982 0.58255299391 0.551610776744} H27 57 1 1 {} {0.636136168631 0.794633834305 0.521641278034} H28 58 1 1 {} {0.676970688257 0.730424335539 0.512826734882} H29 59 1 1 {} {0.622386043341 0.711301062012 0.551173929803} H30 60 1 1 {} {0.557846215878 0.785482968232 0.37183653988} H31 61 1 1 {} {0.668915023302 0.809920677093 0.341367058685} H32 62 1 1 {} {0.532524250232 0.446973737258 0.21834170808} H33 63 1 1 {} {0.609386391417 0.465084817785 0.169670283987} H34 64 1 1 {} {0.569013296944 0.263809488728 0.374775344327} H35 65 1 1 {} {0.51226707071 0.352484498596 0.356843525136} H36 66 1 1 {} {0.656539769041 0.351713539596 0.412922650394} H37 67 1 1 {} {0.651111964683 0.274164255924 0.287252161822} H38 68 1 1 {} {0.701623563875 0.432550808306 0.294512503058} H39 69 1 1 {} {0.691234302993 0.394751122871 0.196811706196} H40 70 1 1 {} {0.502940291141 0.294630827896 0.185810449922} H41 71 1 1 {} {0.542578519856 0.236024834316 0.192730807216} 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