#MD System 2.0 @Title neb0_image06 @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 {} {0.216019422814 0.526717371302 0.327322921876} C1 1 1 14 {} {0.269840531639 0.489624644159 0.285543126375} Si1 2 1 14 {} {0.169336356034 0.535116612326 0.246448640779} Si2 3 1 8 {} {0.282408110787 0.522087134619 0.187343768117} O1 4 1 8 {} {0.309651477294 0.510588325226 0.356577858821} O2 5 1 6 {} {0.268035839885 0.396447925852 0.278936132711} C2 6 1 6 {} {0.137770641491 0.455443109735 0.228657100652} C3 7 1 8 {} {0.193844037651 0.561457547076 0.152445700783} O3 8 1 8 {} {0.133904016681 0.595910095705 0.273896856069} O4 9 1 14 {} {0.361158000921 0.539173403731 0.361591384255} Si3 10 1 7 {} {0.395198512341 0.475323386497 0.402989317199} N1 11 1 14 {} {0.448258726137 0.473276577418 0.357202256942} Si4 12 1 14 {} {0.375478069391 0.421520493669 0.486869299599} Si5 13 1 7 {} {0.34644007033 0.459492128514 0.572181434131} N2 14 1 7 {} {0.464548076255 0.556674365893 0.355541637514} N3 15 1 1 {} {0.20443054244 0.498145019171 0.385836084079} H1 16 1 1 {} {0.223948938477 0.577556339097 0.351365998837} H2 17 1 1 {} {0.257056382709 0.542929495452 0.15692296553} H3 18 1 1 {} {0.262820757658 0.373343706792 0.344658268079} H4 19 1 1 {} {0.299719798706 0.377330993399 0.252159953513} H5 20 1 1 {} {0.241234598238 0.37952481813 0.234186053396} H6 21 1 1 {} {0.11122942119 0.461772999002 0.17866938316} H7 22 1 1 {} {0.122205464153 0.437874679912 0.290928928102} H8 23 1 1 {} {0.160081008666 0.415491087371 0.205133634077} H9 24 1 1 {} {0.175234194816 0.584212862294 0.109146240176} H10 25 1 1 {} {0.105529057372 0.583531322721 0.299859593871} H11 26 1 1 {} {0.377590606916 0.558941317459 0.27187971555} H12 27 1 1 {} {0.360373335265 0.597832242136 0.423078500766} H13 28 1 1 {} {0.47459232778 0.424598396797 0.41317909477} H14 29 1 1 {} {0.451817588318 0.453033949865 0.262144552892} H15 30 1 1 {} {0.344117254278 0.372216291487 0.446286200439} H16 31 1 1 {} {0.41530120819 0.387568331595 0.525393569812} H17 32 1 1 {} {0.314906488892 0.476165332757 0.560687124687} H18 33 1 1 {} {0.362443800574 0.490209222891 0.615733341212} H19 34 1 1 {} {0.493273181934 0.567032000601 0.319719847944} H20 35 1 1 {} {0.467643280132 0.578076641354 0.416889725906} H21 36 1 6 {} {0.646217517934 0.639966501217 0.485129965741} C4 37 1 14 {} {0.607109860484 0.576202578341 0.439990975259} Si6 38 1 14 {} {0.642145943208 0.726152036456 0.43993101594} Si7 39 1 8 {} {0.601130216382 0.584205676002 0.330380834287} O5 40 1 8 {} {0.625482878761 0.500487072876 0.461334726195} O6 41 1 6 {} {0.552306346422 0.582757268964 0.495546089099} C5 42 1 6 {} {0.594244189184 0.776176983046 0.484831112936} C6 43 1 8 {} {0.638034937458 0.714765245421 0.329543950665} O7 44 1 8 {} {0.689470801681 0.767868455494 0.455723029821} O8 45 1 14 {} {0.635193460499 0.422381670972 0.433923993375} Si8 46 1 7 {} {0.589643792879 0.370383397848 0.451576020122} N4 47 1 14 {} {0.570218760807 0.321214559786 0.363521992471} Si9 48 1 14 {} {0.564923287686 0.367196226746 0.558626015228} Si10 49 1 7 {} {0.600373054439 0.38589369789 0.64462969667} N5 50 1 7 {} {0.605001844381 0.258336945311 0.325485968198} N6 51 1 1 {} {0.640531678772 0.640693941636 0.557794239844} H22 52 1 1 {} {0.680347590053 0.62173663048 0.473141840474} H23 53 1 1 {} {0.614186888062 0.625401063942 0.306145748269} H24 54 1 1 {} {0.55167764577 0.574694796481 0.568048044489} H25 55 1 1 {} {0.534693330641 0.540488330591 0.464612450225} H26 56 1 1 {} {0.535150501216 0.629628593799 0.47895680035} H27 57 1 1 {} {0.593471696789 0.826649022037 0.455463439169} H28 58 1 1 {} {0.596335203586 0.781790233682 0.557787043701} H29 59 1 1 {} {0.562078280506 0.752220356921 0.469847224527} H30 60 1 1 {} {0.645578885083 0.75234979579 0.291512072528} H31 61 1 1 {} {0.689754624294 0.802573036831 0.500762997941} H32 62 1 1 {} {0.64650729947 0.417623470729 0.336732076026} H33 63 1 1 {} {0.674385368516 0.402280261178 0.488581410509} H34 64 1 1 {} {0.528390781972 0.289333386971 0.396262663421} H35 65 1 1 {} {0.561970517406 0.364231848273 0.283815608516} H36 66 1 1 {} {0.527798010104 0.416468492874 0.565705634824} H37 67 1 1 {} {0.547786848124 0.297526929889 0.570142448059} H38 68 1 1 {} {0.606614080659 0.434490811928 0.660360254554} H39 69 1 1 {} {0.627322969981 0.35675417543 0.658574562556} H40 70 1 1 {} {0.629632258463 0.269584334667 0.281416536438} H41 71 1 1 {} {0.614525403619 0.220554978854 0.366563339662} 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