#MD System 2.0 @Title neb0_image05 @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 {} {0.356641452385 0.540603051234 0.42271655489} C1 1 1 14 {} {0.337603803361 0.507596320891 0.533749193397} Si1 2 1 14 {} {0.411805836755 0.582895311317 0.418458903605} Si2 3 1 8 {} {0.34084651748 0.567855074788 0.609004859468} O1 4 1 8 {} {0.284632651231 0.485625867694 0.525819362978} O2 5 1 6 {} {0.369242252902 0.431631479233 0.569153664069} C2 6 1 6 {} {0.460787400215 0.52546527458 0.412176975333} C3 7 1 8 {} {0.413489774476 0.627115023194 0.51362681624} O3 8 1 8 {} {0.412180645171 0.633662473596 0.330667619473} O4 9 1 14 {} {0.232341641695 0.491227494205 0.556408400464} Si3 10 1 7 {} {0.212710418094 0.412490263782 0.587863274157} N1 11 1 14 {} {0.176674366126 0.408162807869 0.679725373056} Si4 12 1 14 {} {0.228313403837 0.342483717015 0.523891192278} Si5 13 1 7 {} {0.229518767612 0.35489218857 0.410302774613} N2 14 1 7 {} {0.129156495926 0.45649596034 0.672530927098} N3 15 1 1 {} {0.356195830982 0.500172216953 0.37267074651} H1 16 1 1 {} {0.331708465078 0.577752748934 0.400702477033} H2 17 1 1 {} {0.364637548953 0.600016066711 0.595954281863} H3 18 1 1 {} {0.365917370584 0.390630635361 0.520658056158} H4 19 1 1 {} {0.356568007034 0.413569608555 0.633652706227} H5 20 1 1 {} {0.404958376064 0.442604951749 0.577438885401} H6 21 1 1 {} {0.492702069071 0.55278775587 0.411508000772} H7 22 1 1 {} {0.459457649014 0.494663862319 0.351346420629} H8 23 1 1 {} {0.461776120017 0.491304459925 0.469561895195} H9 24 1 1 {} {0.438728789771 0.656452454727 0.523880081039} H10 25 1 1 {} {0.440546709184 0.642436590653 0.301971406598} H11 26 1 1 {} {0.226570605213 0.536871036577 0.6344281483} H12 27 1 1 {} {0.206832087592 0.517777623908 0.47870683463} H13 28 1 1 {} {0.16378483335 0.336455918834 0.687847620365} H14 29 1 1 {} {0.199712221057 0.432499601934 0.761606157091} H15 30 1 1 {} {0.274230295329 0.320802734892 0.548817050295} H16 31 1 1 {} {0.195177931538 0.289080418241 0.544200383549} H17 32 1 1 {} {0.255963491891 0.378863135507 0.38236207402} H18 33 1 1 {} {0.201047700436 0.365532501469 0.376301588541} H19 34 1 1 {} {0.128971951896 0.504093728929 0.6963059238} H20 35 1 1 {} {0.106492032653 0.450541130351 0.622762562082} H21 36 1 6 {} {0.585318521027 0.342068856034 0.309190546985} C4 37 1 14 {} {0.58055926178 0.375579236728 0.426198881879} Si6 38 1 14 {} {0.569367097256 0.253001191822 0.291255016585} Si7 39 1 8 {} {0.609210065206 0.326534321477 0.494185232896} O5 40 1 8 {} {0.603166228748 0.450643660749 0.431143432113} O6 41 1 6 {} {0.52143241763 0.38402240098 0.462870795103} C5 42 1 6 {} {0.508470430509 0.242363115452 0.267629822217} C6 43 1 8 {} {0.584657391709 0.214339565617 0.385523175047} O7 44 1 8 {} {0.59909079216 0.21597124794 0.211366410956} O8 45 1 14 {} {0.646931845823 0.495505781651 0.459796002483} Si8 46 1 7 {} {0.631400825625 0.576542987782 0.486855676105} N4 47 1 14 {} {0.637807599632 0.604179338889 0.597201471628} Si9 48 1 14 {} {0.607531783529 0.630201478039 0.407704511247} Si10 49 1 7 {} {0.618515423086 0.611167487135 0.298042475979} N5 50 1 7 {} {0.690778003637 0.623986269671 0.633446645433} N6 51 1 1 {} {0.56590376206 0.373823662686 0.263213104839} H22 52 1 1 {} {0.620647634371 0.347198791021 0.289581333586} H23 53 1 1 {} {0.607621982525 0.279420934355 0.476693805109} H24 54 1 1 {} {0.502407287067 0.416860301242 0.41828167281} H25 55 1 1 {} {0.520086571326 0.405748695156 0.53018915412} H26 56 1 1 {} {0.504523616236 0.335293848853 0.465194510692} H27 57 1 1 {} {0.499141626807 0.189261121526 0.262981727295} H28 58 1 1 {} {0.49922961262 0.26652988932 0.204257795084} H29 59 1 1 {} {0.488048737392 0.265269424202 0.32036899825} H30 60 1 1 {} {0.587325061908 0.165999953988 0.383279720797} H31 61 1 1 {} {0.585884178627 0.21196181893 0.152658527004} H32 62 1 1 {} {0.668933093595 0.466703592865 0.540483543528} H33 63 1 1 {} {0.678642468727 0.495087915481 0.383178445437} H34 64 1 1 {} {0.610383977716 0.666353963447 0.603956581293} H35 65 1 1 {} {0.621533543164 0.551223365184 0.659113393973} H36 66 1 1 {} {0.557772358329 0.629356551255 0.41554067219} H37 67 1 1 {} {0.624467928325 0.699039872104 0.426026631179} H38 68 1 1 {} {0.602239333324 0.572399408045 0.268204555386} H39 69 1 1 {} {0.650275542214 0.614503304406 0.27392959807} H40 70 1 1 {} {0.712012349019 0.586863891043 0.651379729735} H41 71 1 1 {} {0.707588098959 0.663007585991 0.606383516394} 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