#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 {} {0.2213006611 0.525746666101 0.336087989892} C1 1 1 14 {} {0.275214444951 0.488748899631 0.29426934412} Si1 2 1 14 {} {0.174666629699 0.534218989926 0.255097000837} Si2 3 1 8 {} {0.287774521554 0.5216372581 0.196340046284} O1 4 1 8 {} {0.314902842463 0.509355755989 0.365289574542} O2 5 1 6 {} {0.27326608736 0.395541643306 0.287295587662} C2 6 1 6 {} {0.143067198453 0.454526642561 0.237334593872} C3 7 1 8 {} {0.19913461594 0.560287227678 0.160887759559} O3 8 1 8 {} {0.139258334835 0.595228291343 0.282140892385} O4 9 1 14 {} {0.366361109838 0.538161332715 0.369926031053} Si3 10 1 7 {} {0.400246527666 0.474157621544 0.411699930294} N1 11 1 14 {} {0.453570539866 0.47253970121 0.366296496639} Si4 12 1 14 {} {0.380646645208 0.420202844334 0.495452262445} Si5 13 1 7 {} {0.351718229511 0.458623173182 0.580841066179} N2 14 1 7 {} {0.468927437148 0.555714172646 0.363022301206} N3 15 1 1 {} {0.209686839983 0.4971365355 0.394542641647} H1 16 1 1 {} {0.229180173813 0.576570747654 0.360193192434} H2 17 1 1 {} {0.262296584307 0.541961141442 0.165632461688} H3 18 1 1 {} {0.268086975405 0.372505299484 0.353111271797} H4 19 1 1 {} {0.30497841641 0.376464313809 0.260525683786} H5 20 1 1 {} {0.246482780618 0.378495910284 0.242565179573} H6 21 1 1 {} {0.116544656205 0.460754089541 0.187287103348} H7 22 1 1 {} {0.12751489764 0.436828321182 0.299533896104} H8 23 1 1 {} {0.165435168884 0.414663224221 0.213743127964} H9 24 1 1 {} {0.180548823661 0.583194866566 0.117594657997} H10 25 1 1 {} {0.110854368705 0.582849948667 0.308184698815} H11 26 1 1 {} {0.38281520332 0.557821282362 0.280198597132} H12 27 1 1 {} {0.365643890579 0.596810886473 0.43149808959} H13 28 1 1 {} {0.479739278545 0.423467583876 0.421790236393} H14 29 1 1 {} {0.457381633422 0.452332726941 0.270019370767} H15 30 1 1 {} {0.349431493672 0.371313805419 0.454708736793} H16 31 1 1 {} {0.420574414071 0.386626171324 0.533905359801} H17 32 1 1 {} {0.320210978785 0.475193492574 0.569216796461} H18 33 1 1 {} {0.367868814382 0.48917969331 0.624400334164} H19 34 1 1 {} {0.497372384853 0.566329904086 0.328169794265} H20 35 1 1 {} {0.471082879 0.577211751416 0.424306425492} H21 36 1 6 {} {0.64125226257 0.641322276193 0.476619463999} C4 37 1 14 {} {0.602354383917 0.577575320115 0.431661871524} Si6 38 1 14 {} {0.636853303901 0.727266891725 0.431464285339} Si7 39 1 8 {} {0.596181643303 0.584991903765 0.321813323962} O5 40 1 8 {} {0.619857140789 0.501303292762 0.452714022924} O6 41 1 6 {} {0.547832318765 0.583995735412 0.487927816422} C5 42 1 6 {} {0.589005096903 0.777106023439 0.476386457334} C6 43 1 8 {} {0.632396755834 0.715837019586 0.321144850949} O7 44 1 8 {} {0.684297226405 0.768575619825 0.447207108466} O8 45 1 14 {} {0.629859868513 0.423053790911 0.424942241798} Si8 46 1 7 {} {0.584390677308 0.37148809929 0.44350338164} N4 47 1 14 {} {0.56479604823 0.322067997905 0.354599952108} Si9 48 1 14 {} {0.559709194051 0.367950314882 0.549759122155} Si10 49 1 7 {} {0.595137397871 0.386802957692 0.636308855319} N5 50 1 7 {} {0.599766990578 0.259273794379 0.317041778919} N6 51 1 1 {} {0.634991405121 0.64147706749 0.549111186143} H22 52 1 1 {} {0.67509646486 0.622327869885 0.464473769228} H23 53 1 1 {} {0.608908181506 0.626492601645 0.297508003277} H24 54 1 1 {} {0.546188299764 0.575460322568 0.560357249415} H25 55 1 1 {} {0.531527880124 0.54103962652 0.456237066072} H26 56 1 1 {} {0.529917913946 0.630881213068 0.469859082147} H27 57 1 1 {} {0.588234139172 0.827535783855 0.447011189753} H28 58 1 1 {} {0.59102385012 0.782725558124 0.549327776702} H29 59 1 1 {} {0.556886096615 0.753090870516 0.461254824614} H30 60 1 1 {} {0.640222570209 0.753290497848 0.283188784346} H31 61 1 1 {} {0.684529797638 0.803332817569 0.49201544656} H32 62 1 1 {} {0.641250563919 0.418585787144 0.328326398309} H33 63 1 1 {} {0.669028669764 0.403251747511 0.480047029351} H34 64 1 1 {} {0.52310799105 0.290232528828 0.387650348486} H35 65 1 1 {} {0.556659549475 0.365084283226 0.275350023211} H36 66 1 1 {} {0.522770222594 0.417523076724 0.557242577171} H37 67 1 1 {} {0.542497299459 0.298601973975 0.561486778927} H38 68 1 1 {} {0.601441450972 0.435469330179 0.651725034293} H39 69 1 1 {} {0.622137573654 0.357670631426 0.650006957848} H40 70 1 1 {} {0.62442844802 0.270584437253 0.273063528758} H41 71 1 1 {} {0.609352697565 0.221631969013 0.358362005912} 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