#MD System 2.0 @Title neb0_image04 @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 {} {0.354807810356 0.545426321455 0.42246087179} C1 1 1 14 {} {0.33572460402 0.51241233135 0.533466713155} Si1 2 1 14 {} {0.409977430411 0.587675584906 0.418227276324} Si2 3 1 8 {} {0.339030651338 0.572639608235 0.608726586136} O1 4 1 8 {} {0.282798903093 0.49036327072 0.525536921508} O2 5 1 6 {} {0.367398474291 0.436463067914 0.568892440596} C2 6 1 6 {} {0.458976606689 0.530211902498 0.411909490824} C3 7 1 8 {} {0.411649055983 0.63194608339 0.513358226538} O3 8 1 8 {} {0.410332840881 0.638555973202 0.330453119338} O4 9 1 14 {} {0.230509720921 0.495990466385 0.55613341822} Si3 10 1 7 {} {0.210862815536 0.417300247973 0.587590699801} N1 11 1 14 {} {0.174833321785 0.413003388974 0.67946211115} Si4 12 1 14 {} {0.226445907561 0.347263832614 0.523600542883} Si5 13 1 7 {} {0.227680244898 0.359612505203 0.409990839972} N2 14 1 7 {} {0.127300369155 0.461302105558 0.672299129563} N3 15 1 1 {} {0.354352766583 0.505006548559 0.372407977257} H1 16 1 1 {} {0.329873292807 0.582560248017 0.400435660058} H2 17 1 1 {} {0.362791036282 0.604839909478 0.595684314678} H3 18 1 1 {} {0.36406647381 0.395457330066 0.520402931567} H4 19 1 1 {} {0.354723578562 0.418391918189 0.6333896709} H5 20 1 1 {} {0.403118557722 0.447436589586 0.57716861584} H6 21 1 1 {} {0.490843255414 0.557639704287 0.411248125446} H7 22 1 1 {} {0.457603928434 0.499471057026 0.351049810878} H8 23 1 1 {} {0.459943006584 0.496084231679 0.469316020315} H9 24 1 1 {} {0.436879433531 0.661303577984 0.523604419787} H10 25 1 1 {} {0.438705813356 0.647271289675 0.301704845877} H11 26 1 1 {} {0.224736062887 0.541696759395 0.634127593293} H12 27 1 1 {} {0.205002413143 0.522612270468 0.478429687004} H13 28 1 1 {} {0.161957385245 0.34129327718 0.687592426123} H14 29 1 1 {} {0.19787404642 0.437349642065 0.761337284582} H15 30 1 1 {} {0.272375708712 0.325635598661 0.548529076721} H16 31 1 1 {} {0.193323265932 0.293905887479 0.543941807171} H17 32 1 1 {} {0.25410452491 0.383682390834 0.382106050164} H18 33 1 1 {} {0.199207384392 0.370365284743 0.37604563838} H19 34 1 1 {} {0.127133933343 0.508910387184 0.696020949875} H20 35 1 1 {} {0.104648509233 0.455369509478 0.622494957894} H21 36 1 6 {} {0.58717864963 0.337265305848 0.309432285142} C4 37 1 14 {} {0.582419121563 0.370720166135 0.42646190235} Si6 38 1 14 {} {0.571223079406 0.248203447436 0.291549509297} Si7 39 1 8 {} {0.611082832133 0.321705412619 0.494472376034} O5 40 1 8 {} {0.605009209286 0.445799429528 0.431397011698} O6 41 1 6 {} {0.5232622562 0.379242641614 0.46310325684} C5 42 1 6 {} {0.510333294811 0.237553729077 0.267921368427} C6 43 1 8 {} {0.586491022573 0.209501025263 0.385782732242} O7 44 1 8 {} {0.600902624295 0.211234921368 0.211624921835} O8 45 1 14 {} {0.648761509038 0.490646322789 0.460071926325} Si8 46 1 7 {} {0.633221759672 0.571686198014 0.487108056223} N4 47 1 14 {} {0.639733537076 0.599424205961 0.597513945037} Si9 48 1 14 {} {0.609326472117 0.625398794182 0.408233939782} Si10 49 1 7 {} {0.620395641315 0.606222289997 0.298431459255} N5 50 1 7 {} {0.692584136788 0.619220134614 0.633836796308} N6 51 1 1 {} {0.567747936074 0.369014960623 0.263466675112} H22 52 1 1 {} {0.622508265316 0.342386557162 0.289843288111} H23 53 1 1 {} {0.609475952259 0.274595529065 0.476948535571} H24 54 1 1 {} {0.504221200682 0.412111066896 0.418521151668} H25 55 1 1 {} {0.521930666406 0.400924488681 0.530466998124} H26 56 1 1 {} {0.506374106354 0.330475159214 0.465447795184} H27 57 1 1 {} {0.500998386308 0.184443492232 0.263268457391} H28 58 1 1 {} {0.501064854432 0.261695413026 0.204548354584} H29 59 1 1 {} {0.489900883268 0.260427392863 0.320661940671} H30 60 1 1 {} {0.589198360847 0.161163264844 0.383537350937} H31 61 1 1 {} {0.587723829773 0.207155334485 0.152900310324} H32 62 1 1 {} {0.670780728526 0.46189396083 0.540762616116} H33 63 1 1 {} {0.680468696715 0.490275207169 0.383441105302} H34 64 1 1 {} {0.612208750208 0.661507441045 0.60416294447} H35 65 1 1 {} {0.623366515374 0.54641343351 0.659240903816} H36 66 1 1 {} {0.559584977596 0.624588976565 0.415751858194} H37 67 1 1 {} {0.626326367226 0.694256545013 0.426185921911} H38 68 1 1 {} {0.604051281136 0.567592010166 0.268395714364} H39 69 1 1 {} {0.65211760177 0.609674836909 0.27415209655} H40 70 1 1 {} {0.713831396608 0.582068709048 0.651625969416} H41 71 1 1 {} {0.709432934078 0.658188425533 0.606668579751} 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