#MD System 2.0 @Title neb0_image02 @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 {} {0.205203370659 0.52891192416 0.309567820326} C1 1 1 14 {} {0.259091902113 0.491619231041 0.268173595956} Si1 2 1 14 {} {0.158371424194 0.537167634196 0.228970507152} Si2 3 1 8 {} {0.271554958766 0.523854435808 0.169696522956} O1 4 1 8 {} {0.299227333177 0.511994232149 0.338723573464} O2 5 1 6 {} {0.256989642876 0.398364963578 0.261537615506} C2 6 1 6 {} {0.126778942678 0.457506629277 0.211293603398} C3 7 1 8 {} {0.182598851881 0.562713698481 0.134326795349} O3 8 1 8 {} {0.12313977388 0.598189546049 0.256733598462} O4 9 1 14 {} {0.350586431437 0.541138204735 0.34437906592} Si3 10 1 7 {} {0.385433585408 0.478390758096 0.38602224781} N1 11 1 14 {} {0.43967310065 0.476029370325 0.344292784498} Si4 12 1 14 {} {0.365122846298 0.423901068268 0.468796131747} Si5 13 1 7 {} {0.335635064912 0.461266852482 0.554098367429} N2 14 1 7 {} {0.461643413961 0.555789547051 0.350183446024} N3 15 1 1 {} {0.193566677364 0.500467368284 0.368180285796} H1 16 1 1 {} {0.213111225659 0.579785622551 0.333531306312} H2 17 1 1 {} {0.246324898988 0.544811219461 0.139221836919} H3 18 1 1 {} {0.251715961747 0.375109342756 0.3271557867} H4 19 1 1 {} {0.288683592446 0.37932858141 0.234774140027} H5 20 1 1 {} {0.230210491156 0.381657045148 0.216549781994} H6 21 1 1 {} {0.100357611323 0.463907801289 0.161020180121} H7 22 1 1 {} {0.111073960636 0.43980157531 0.273337109763} H8 23 1 1 {} {0.1491132952 0.41758903723 0.187679758084} H9 24 1 1 {} {0.164037082351 0.586284823259 0.0915378169473} H10 25 1 1 {} {0.0946869366612 0.585638289108 0.282439735232} H11 26 1 1 {} {0.367093978634 0.561276305326 0.254875362377} H12 27 1 1 {} {0.34939481255 0.599827525868 0.405489427056} H13 28 1 1 {} {0.463602200839 0.42365050213 0.396747746455} H14 29 1 1 {} {0.441642461051 0.458533419804 0.247741960602} H15 30 1 1 {} {0.333773417228 0.374748191034 0.428108194423} H16 31 1 1 {} {0.404645468374 0.3895483596 0.507804773181} H17 32 1 1 {} {0.304071843102 0.477607410337 0.54245983693} H18 33 1 1 {} {0.351402801991 0.492301534041 0.597903473896} H19 34 1 1 {} {0.484848102494 0.570665380493 0.304639051715} H20 35 1 1 {} {0.466979965547 0.578377942854 0.409880542935} H21 36 1 6 {} {0.655269275512 0.637443672566 0.50267442585} C4 37 1 14 {} {0.615695835088 0.57335233721 0.455615325654} Si6 38 1 14 {} {0.652552863315 0.723909832735 0.457699725357} Si7 39 1 8 {} {0.612513953213 0.581818886397 0.346042754322} O5 40 1 8 {} {0.635763115441 0.498810601233 0.479203962156} O6 41 1 6 {} {0.558789325103 0.579362485916 0.505396166704} C5 42 1 6 {} {0.605046788461 0.774487782029 0.502776394092} C6 43 1 8 {} {0.648339217641 0.713038495897 0.347445218203} O7 44 1 8 {} {0.700222944357 0.765844056124 0.472868196174} O8 45 1 14 {} {0.646112978412 0.420841082748 0.45196920351} Si8 46 1 7 {} {0.600794406052 0.368238492804 0.468431232235} N4 47 1 14 {} {0.581299512838 0.319588630274 0.381066735744} Si9 48 1 14 {} {0.575877777945 0.364834028942 0.575512407707} Si10 49 1 7 {} {0.611866628215 0.384282098735 0.662528864559} N5 50 1 7 {} {0.615468396178 0.25651625798 0.34235492964} N6 51 1 1 {} {0.651219585103 0.638749385589 0.575695193907} H22 52 1 1 {} {0.689411548146 0.619060287721 0.489860697741} H23 53 1 1 {} {0.625344237763 0.623684531254 0.323559679896} H24 54 1 1 {} {0.558563248205 0.570028463393 0.577739093714} H25 55 1 1 {} {0.537105380763 0.541857795428 0.473718155519} H26 56 1 1 {} {0.5440512002 0.628993467158 0.493549706371} H27 57 1 1 {} {0.604352772904 0.824902100755 0.473187460409} H28 58 1 1 {} {0.607141986673 0.780169300242 0.575729865405} H29 59 1 1 {} {0.572950257147 0.750386378591 0.487738032945} H30 60 1 1 {} {0.656541956231 0.750262359167 0.309280781096} H31 61 1 1 {} {0.700584686871 0.80040976246 0.518017159697} H32 62 1 1 {} {0.657491033901 0.415708682925 0.354527856908} H33 63 1 1 {} {0.685290367259 0.400497754113 0.506351600704} H34 64 1 1 {} {0.539242961135 0.287938429007 0.413887042754} H35 65 1 1 {} {0.572988339383 0.362577684773 0.301183408177} H36 66 1 1 {} {0.538529778378 0.413666118168 0.582672729243} H37 67 1 1 {} {0.559110730922 0.295102387691 0.587670644541} H38 68 1 1 {} {0.617302695363 0.432351550165 0.677586952267} H39 69 1 1 {} {0.637975621987 0.355162017639 0.676192758287} H40 70 1 1 {} {0.640337457609 0.267446302695 0.298524884975} H41 71 1 1 {} {0.62514160185 0.218224038732 0.383675178533} 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