#MD System 2.0 @Title neb0_image08 @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 {} {0.22177311656 0.525177677231 0.338718295111} C1 1 1 14 {} {0.274919299799 0.48749356115 0.297643406262} Si1 2 1 14 {} {0.175886943765 0.534335334058 0.2583329493} Si2 3 1 8 {} {0.289030536745 0.520062288547 0.200313578507} O1 4 1 8 {} {0.312088652946 0.509046934935 0.375657809166} O2 5 1 6 {} {0.27499938343 0.394922557827 0.290629625884} C2 6 1 6 {} {0.144702975634 0.454225509917 0.240136342459} C3 7 1 8 {} {0.200631363654 0.560658695894 0.163917473807} O3 8 1 8 {} {0.14004368883 0.594931696481 0.285021445324} O4 9 1 14 {} {0.364286100985 0.538268422191 0.3749658906} Si3 10 1 7 {} {0.398009561728 0.46934085586 0.409055392231} N1 11 1 14 {} {0.451111380563 0.475366602228 0.352666289353} Si4 12 1 14 {} {0.380431316238 0.417822548827 0.499484420956} Si5 13 1 7 {} {0.353155806642 0.460518304045 0.583119181299} N2 14 1 7 {} {0.456314091941 0.561567371191 0.345524857592} N3 15 1 1 {} {0.210984061337 0.496625034272 0.397925646166} H1 16 1 1 {} {0.230933484746 0.575818504393 0.36247745236} H2 17 1 1 {} {0.264364263649 0.541696658348 0.168610831517} H3 18 1 1 {} {0.270056347046 0.372229749287 0.356456613831} H4 19 1 1 {} {0.306912026121 0.37666716012 0.26430413728} H5 20 1 1 {} {0.24873330872 0.377343036185 0.246100716045} H6 21 1 1 {} {0.118152365796 0.459851939805 0.189877899274} H7 22 1 1 {} {0.129410950745 0.436539306592 0.302753460856} H8 23 1 1 {} {0.167512714165 0.414584140826 0.216950519474} H9 24 1 1 {} {0.182496975133 0.583220224872 0.120673395328} H10 25 1 1 {} {0.112331678421 0.582290220814 0.312340478281} H11 26 1 1 {} {0.368721385642 0.554364958788 0.280971131015} H12 27 1 1 {} {0.367759358359 0.59237361486 0.432744064167} H13 28 1 1 {} {0.47922823837 0.435594718062 0.407055067742} H14 29 1 1 {} {0.451568858615 0.447040721337 0.274277757163} H15 30 1 1 {} {0.349582321817 0.366272753959 0.461550332474} H16 31 1 1 {} {0.422882149691 0.387368262046 0.533715071874} H17 32 1 1 {} {0.320976970577 0.473849490198 0.571688240677} H18 33 1 1 {} {0.371564940606 0.487548819624 0.62629235447} H19 34 1 1 {} {0.491432208448 0.574163769987 0.322911845722} H20 35 1 1 {} {0.461719911013 0.562664392694 0.374485287058} H21 36 1 6 {} {0.644111068424 0.651975445074 0.475219145595} C4 37 1 14 {} {0.607187180767 0.577677347789 0.438972347693} Si6 38 1 14 {} {0.635557735808 0.733542989262 0.425670231356} Si7 39 1 8 {} {0.593696092707 0.587473238482 0.333207125277} O5 40 1 8 {} {0.624034486863 0.499748756935 0.444856815123} O6 41 1 6 {} {0.554103385267 0.582290200339 0.504513421914} C5 42 1 6 {} {0.588830168494 0.775624743615 0.47328092125} C6 43 1 8 {} {0.63288431014 0.715151390466 0.318823517773} O7 44 1 8 {} {0.680960758474 0.771518403713 0.441275452128} O8 45 1 14 {} {0.629935638036 0.419546117115 0.422799392351} Si8 46 1 7 {} {0.581827509766 0.37234226721 0.438685757383} N4 47 1 14 {} {0.564090482184 0.32438105746 0.354602269868} Si9 48 1 14 {} {0.558880988071 0.36967840079 0.548891059059} Si10 49 1 7 {} {0.594510434049 0.38685464263 0.634207203793} N5 50 1 7 {} {0.597387334851 0.260760663995 0.314331234334} N6 51 1 1 {} {0.639915742301 0.645461864773 0.548321197361} H22 52 1 1 {} {0.677705053421 0.625712116951 0.458325039847} H23 53 1 1 {} {0.604765954945 0.625931331656 0.301788475151} H24 54 1 1 {} {0.555689480906 0.584115011872 0.566523617427} H25 55 1 1 {} {0.546068341085 0.541281695791 0.489822174319} H26 56 1 1 {} {0.535319816214 0.620152241794 0.488822546952} H27 57 1 1 {} {0.588176407814 0.82487001356 0.443041675857} H28 58 1 1 {} {0.58984868817 0.781921913887 0.545723108483} H29 59 1 1 {} {0.557851670198 0.750541012235 0.457124942794} H30 60 1 1 {} {0.638031772491 0.754199762339 0.281033707096} H31 61 1 1 {} {0.683473922314 0.807207535618 0.488623777468} H32 62 1 1 {} {0.63970443505 0.417945566159 0.324325173789} H33 63 1 1 {} {0.668258494772 0.398795546661 0.475699494499} H34 64 1 1 {} {0.52189691374 0.291695582831 0.385505492651} H35 65 1 1 {} {0.554491067475 0.36631002376 0.271852980532} H36 66 1 1 {} {0.522028247123 0.416976193747 0.556277809968} H37 67 1 1 {} {0.54140777592 0.299147638222 0.557411907423} H38 68 1 1 {} {0.599725648572 0.434340911177 0.650168473077} H39 69 1 1 {} {0.621360903596 0.357796224725 0.646879646344} H40 70 1 1 {} {0.622263634954 0.270906914422 0.269525203845} H41 71 1 1 {} {0.606987585932 0.221582387396 0.354326482691} 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