#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 {} {0.351093595353 0.555079884897 0.421925675664} C1 1 1 14 {} {0.332031874566 0.522069586079 0.532973536805} Si1 2 1 14 {} {0.406323545471 0.597215018582 0.417706377918} Si2 3 1 8 {} {0.335327750267 0.582312878452 0.608217875538} O1 4 1 8 {} {0.279071670704 0.500047767776 0.525006137186} O2 5 1 6 {} {0.363702013305 0.446098527324 0.568355089036} C2 6 1 6 {} {0.455414226404 0.539613822552 0.411439529797} C3 7 1 8 {} {0.407944013766 0.641622813421 0.512784520614} O3 8 1 8 {} {0.406657912472 0.648120587175 0.329934403633} O4 9 1 14 {} {0.226814199137 0.505660256836 0.555605665628} Si3 10 1 7 {} {0.207176938009 0.426969105645 0.587050159079} N1 11 1 14 {} {0.171131697737 0.422680184218 0.678922317134} Si4 12 1 14 {} {0.222783033535 0.35694906483 0.523004768765} Si5 13 1 7 {} {0.223987587155 0.369301479141 0.409435681057} N2 14 1 7 {} {0.123603543536 0.470969891531 0.671753234872} N3 15 1 1 {} {0.350659314754 0.514659134914 0.371873751186} H1 16 1 1 {} {0.326173682777 0.592227976719 0.399890656501} H2 17 1 1 {} {0.359107168318 0.61449715849 0.595145660295} H3 18 1 1 {} {0.360377472869 0.405103194586 0.519852540779} H4 19 1 1 {} {0.351030647912 0.428041684954 0.632857567314} H5 20 1 1 {} {0.399421799895 0.457091211476 0.576634985372} H6 21 1 1 {} {0.487206263592 0.567261052144 0.410663803746} H7 22 1 1 {} {0.453993938671 0.509015889182 0.350459576787} H8 23 1 1 {} {0.456386183451 0.505436512683 0.46887264146} H9 24 1 1 {} {0.433193717444 0.670954600474 0.523084986687} H10 25 1 1 {} {0.435015084195 0.656891162437 0.301127528359} H11 26 1 1 {} {0.221040856279 0.551352261727 0.633602220425} H12 27 1 1 {} {0.201307968223 0.532264500529 0.477898888256} H13 28 1 1 {} {0.158260497855 0.350957114809 0.687048125026} H14 29 1 1 {} {0.194181782339 0.446999454122 0.760798063452} H15 30 1 1 {} {0.26869043129 0.335289970563 0.547997593311} H16 31 1 1 {} {0.189646001439 0.303575089936 0.543392290357} H17 32 1 1 {} {0.250416905974 0.393334742397 0.38155358594} H18 33 1 1 {} {0.195516031119 0.380016241309 0.375503731391} H19 34 1 1 {} {0.123441454419 0.518569541674 0.695492670137} H20 35 1 1 {} {0.100957231474 0.465024492583 0.621961185995} H21 36 1 6 {} {0.590854505568 0.327594717984 0.309983107541} C4 37 1 14 {} {0.586088520064 0.361112187356 0.426949677618} Si6 38 1 14 {} {0.574915389332 0.23856051796 0.292035484851} Si7 39 1 8 {} {0.614707820345 0.312040140626 0.495019027337} O5 40 1 8 {} {0.608718228575 0.436102787392 0.431971672906} O6 41 1 6 {} {0.526827256675 0.369861027833 0.463591664039} C5 42 1 6 {} {0.514016378531 0.227868750293 0.268425924884} C6 43 1 8 {} {0.590166665487 0.199855285802 0.386317569413} O7 44 1 8 {} {0.60463798744 0.201563367177 0.212149922876} O8 45 1 14 {} {0.652449679342 0.481025312448 0.4606164235} Si8 46 1 7 {} {0.636977641065 0.562060098923 0.487771594567} N4 47 1 14 {} {0.643312124082 0.589683864352 0.597943406534} Si9 48 1 14 {} {0.613009056185 0.61574414296 0.408516844301} Si10 49 1 7 {} {0.624055541625 0.596642504459 0.299006763599} N5 50 1 7 {} {0.696339709598 0.609556434445 0.634326389714} N6 51 1 1 {} {0.571438555998 0.359356613774 0.26402131261} H22 52 1 1 {} {0.626188288032 0.332722923451 0.290392964947} H23 53 1 1 {} {0.613161451302 0.264935575737 0.477484918934} H24 54 1 1 {} {0.507704945544 0.402834389695 0.419018608703} H25 55 1 1 {} {0.525601702542 0.391326486792 0.531116730675} H26 56 1 1 {} {0.510037255616 0.320959388929 0.465942744011} H27 57 1 1 {} {0.504684737968 0.174764584022 0.263792689177} H28 58 1 1 {} {0.504756348574 0.252044605982 0.205077037722} H29 59 1 1 {} {0.493593355873 0.250770280934 0.321170546833} H30 60 1 1 {} {0.592884067094 0.151511248966 0.38407158732} H31 61 1 1 {} {0.591421245789 0.197497579782 0.15346711963} H32 62 1 1 {} {0.674476346758 0.452224954631 0.541312653631} H33 63 1 1 {} {0.684161132819 0.480608981489 0.383996641559} H34 64 1 1 {} {0.615922855416 0.651861738962 0.604745116572} H35 65 1 1 {} {0.627073927558 0.536765381704 0.659850279957} H36 66 1 1 {} {0.563284814306 0.61491836609 0.416335944621} H37 67 1 1 {} {0.630027846819 0.684586022311 0.426779117738} H38 68 1 1 {} {0.607750254275 0.557938256282 0.268986851184} H39 69 1 1 {} {0.655838457373 0.60001607856 0.274692113989} H40 70 1 1 {} {0.717531875726 0.572407462012 0.65217697176} H41 71 1 1 {} {0.713127961988 0.64853041152 0.607201860828} 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