#MD System 2.0 @Title neb0_image07 @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 {} {0.22211179625 0.525843906398 0.337472475664} C1 1 1 14 {} {0.275539165266 0.488323196668 0.296106774467} Si1 2 1 14 {} {0.175904791567 0.534242780411 0.257622203698} Si2 3 1 8 {} {0.288481916463 0.517484993845 0.19626111739} O1 4 1 8 {} {0.311699718273 0.514037315014 0.370396737918} O2 5 1 6 {} {0.274874180888 0.39493650213 0.290907905572} C2 6 1 6 {} {0.144746146698 0.45432420844 0.239696172018} C3 7 1 8 {} {0.200292897541 0.562423758569 0.164031572412} O3 8 1 8 {} {0.140110406476 0.594291231422 0.287457843719} O4 9 1 14 {} {0.362816897403 0.536035325345 0.369862944852} Si3 10 1 7 {} {0.393898094037 0.466743765335 0.404202562934} N1 11 1 14 {} {0.442055721169 0.468181844952 0.340146809011} Si4 12 1 14 {} {0.380045608417 0.416638762429 0.495848763722} Si5 13 1 7 {} {0.35289286918 0.457381031802 0.58356542917} N2 14 1 7 {} {0.437633003805 0.557050602951 0.302056717766} N3 15 1 1 {} {0.211386618543 0.497252280636 0.396544023561} H1 16 1 1 {} {0.231499169934 0.576162325325 0.361556317106} H2 17 1 1 {} {0.264019208235 0.541650505537 0.166355395717} H3 18 1 1 {} {0.269550620098 0.371438092489 0.356458295642} H4 19 1 1 {} {0.306616957279 0.375697211728 0.264303109591} H5 20 1 1 {} {0.248235969954 0.377845055487 0.245784810988} H6 21 1 1 {} {0.11839702562 0.460804755257 0.189933974836} H7 22 1 1 {} {0.129269200395 0.437573573464 0.302186104747} H8 23 1 1 {} {0.166910663941 0.414190814708 0.216808118797} H9 24 1 1 {} {0.181430715285 0.583706796306 0.120581005597} H10 25 1 1 {} {0.112056567635 0.580291107977 0.31285230184} H11 26 1 1 {} {0.378448279566 0.556364771767 0.280469422796} H12 27 1 1 {} {0.368623044735 0.594198079426 0.433366119669} H13 28 1 1 {} {0.480599899633 0.448325019183 0.401142467894} H14 29 1 1 {} {0.448365970179 0.419783824837 0.253391296391} H15 30 1 1 {} {0.349268185912 0.365942357586 0.464813800426} H16 31 1 1 {} {0.421159988412 0.386908689685 0.535509916677} H17 32 1 1 {} {0.321635957781 0.474948154118 0.573158872199} H18 33 1 1 {} {0.368456180027 0.488494025108 0.626712727049} H19 34 1 1 {} {0.474343208792 0.565905785873 0.316050553837} H20 35 1 1 {} {0.413450102779 0.590107935443 0.337147322759} H21 36 1 6 {} {0.654860516655 0.644187781704 0.474486594887} C4 37 1 14 {} {0.614217032752 0.580769200741 0.443516790415} Si6 38 1 14 {} {0.639770771621 0.729293726672 0.428304271887} Si7 39 1 8 {} {0.587564131473 0.590290969852 0.342181511637} O5 40 1 8 {} {0.629541228945 0.502667598202 0.451898588079} O6 41 1 6 {} {0.57009789732 0.58127399445 0.532349569666} C5 42 1 6 {} {0.588785281555 0.775844116125 0.473230718339} C6 43 1 8 {} {0.631899038007 0.717461823822 0.318208783395} O7 44 1 8 {} {0.684127774525 0.779522415054 0.438380084406} O8 45 1 14 {} {0.630798783855 0.422044674205 0.421412629071} Si8 46 1 7 {} {0.583773323496 0.374357570132 0.443559303948} N4 47 1 14 {} {0.562275581999 0.322906740277 0.350171970301} Si9 48 1 14 {} {0.559683284602 0.366598323573 0.547997612872} Si10 49 1 7 {} {0.593614418822 0.385313590661 0.630799517743} N5 50 1 7 {} {0.597941998204 0.258288046593 0.312490373955} N6 51 1 1 {} {0.645096101567 0.645962582381 0.545768756444} H22 52 1 1 {} {0.691603411013 0.638480422181 0.471101438233} H23 53 1 1 {} {0.601167712231 0.622961307952 0.302455727658} H24 54 1 1 {} {0.575092454738 0.599639293854 0.602558491978} H25 55 1 1 {} {0.564698593989 0.524398881462 0.530630090407} H26 56 1 1 {} {0.538122871385 0.611964799985 0.495032623841} H27 57 1 1 {} {0.587124386122 0.826563945556 0.443888985996} H28 58 1 1 {} {0.589821043763 0.78302765462 0.54615736735} H29 59 1 1 {} {0.556064926079 0.752913375975 0.458196107899} H30 60 1 1 {} {0.638042798611 0.753836794597 0.276630680345} H31 61 1 1 {} {0.683835957178 0.808934541758 0.490735704732} H32 62 1 1 {} {0.639638829904 0.41710727452 0.326558972407} H33 63 1 1 {} {0.669226666614 0.39917297815 0.478143627126} H34 64 1 1 {} {0.521849386136 0.29031679754 0.385291129712} H35 65 1 1 {} {0.555127616579 0.365215530574 0.273672501078} H36 66 1 1 {} {0.522159803295 0.417261998478 0.561176999521} H37 67 1 1 {} {0.541453604137 0.298158847858 0.55918693275} H38 68 1 1 {} {0.600092767068 0.436538623497 0.651701983275} H39 69 1 1 {} {0.623439526565 0.357251105203 0.649795265927} H40 70 1 1 {} {0.621793782899 0.270527052729 0.269059112596} H41 71 1 1 {} {0.606447779879 0.2207180701 0.352315107928} 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