#MD System 2.0 @Title neb0_image02 @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 {} {0.205076034233 0.528726153164 0.309833740656} C1 1 1 14 {} {0.259013957268 0.491755316287 0.268062783855} Si1 2 1 14 {} {0.158373253321 0.537211473241 0.228865642516} Si2 3 1 8 {} {0.271627586276 0.52486565905 0.170266039912} O1 4 1 8 {} {0.29901991276 0.511984472032 0.338982390203} O2 5 1 6 {} {0.257055917461 0.3985704333 0.26100698911} C2 6 1 6 {} {0.126850365097 0.457477216768 0.211098964496} C3 7 1 8 {} {0.182874281046 0.56298237347 0.134561892152} O3 8 1 8 {} {0.123047839448 0.598379344731 0.255769989763} O4 9 1 14 {} {0.350502585953 0.540939811667 0.344093099766} Si3 10 1 7 {} {0.385241317662 0.478029867822 0.385704325042} N1 11 1 14 {} {0.439649904723 0.476432780475 0.344815937205} Si4 12 1 14 {} {0.364870698976 0.423840481733 0.468517337462} Si5 13 1 7 {} {0.335716820212 0.461604844554 0.553918544194} N2 14 1 7 {} {0.46162900133 0.556137388425 0.351000905726} N3 15 1 1 {} {0.193482922072 0.500100406539 0.368312640165} H1 16 1 1 {} {0.212934787885 0.5795492438 0.33400790553} H2 17 1 1 {} {0.246096586013 0.54494132214 0.139476157308} H3 18 1 1 {} {0.251903467361 0.37556545112 0.326834824243} H4 19 1 1 {} {0.288773101261 0.379527369262 0.234243896151} H5 20 1 1 {} {0.230286153747 0.381449225157 0.216311583054} H6 21 1 1 {} {0.10033692418 0.463681147368 0.161036834503} H7 22 1 1 {} {0.111316008535 0.439737769053 0.273287179272} H8 23 1 1 {} {0.14926942538 0.417684914435 0.187477177162} H9 24 1 1 {} {0.164399092184 0.586126430027 0.0913620810031} H10 25 1 1 {} {0.0946693842822 0.585991433896 0.281845842314} H11 26 1 1 {} {0.366872833515 0.560905334839 0.25421403911} H12 27 1 1 {} {0.349351626176 0.599770290827 0.405130965305} H13 28 1 1 {} {0.463670756123 0.424051026733 0.397431681986} H14 29 1 1 {} {0.441773450794 0.459128464424 0.248067791785} H15 30 1 1 {} {0.33338049698 0.374669428393 0.428250042303} H16 31 1 1 {} {0.404322429178 0.389561124026 0.507807114707} H17 32 1 1 {} {0.304102567642 0.478102203849 0.542969293999} H18 33 1 1 {} {0.351714255404 0.492018699985 0.597905300057} H19 34 1 1 {} {0.484506688724 0.571118930072 0.305057116819} H20 35 1 1 {} {0.467451702626 0.578350583411 0.410895757171} H21 36 1 6 {} {0.655098665156 0.637087236426 0.502824569698} C4 37 1 14 {} {0.615609947868 0.573257060955 0.454944874701} Si6 38 1 14 {} {0.652737694943 0.723745707977 0.458004532606} Si7 39 1 8 {} {0.613303961396 0.5815655017 0.34530095937} O5 40 1 8 {} {0.635334978674 0.498525725133 0.479209468396} O6 41 1 6 {} {0.558527316526 0.579415439568 0.504058978307} C5 42 1 6 {} {0.605163758913 0.77422201339 0.502727204833} C6 43 1 8 {} {0.648418600089 0.713004126949 0.347510345225} O7 44 1 8 {} {0.700352448801 0.765135300714 0.473621721425} O8 45 1 14 {} {0.645919206686 0.420661382936 0.451307838769} Si8 46 1 7 {} {0.60061531127 0.368472487295 0.469490207011} N4 47 1 14 {} {0.58108167018 0.319217757541 0.380896316367} Si9 48 1 14 {} {0.575894327418 0.365133880627 0.575707519891} Si10 49 1 7 {} {0.611138432133 0.383916137552 0.662803453421} N5 50 1 7 {} {0.616052620035 0.256547889924 0.343595133863} N6 51 1 1 {} {0.650977580179 0.63864912851 0.575906121657} H22 52 1 1 {} {0.689173357628 0.618339606243 0.490381677986} H23 53 1 1 {} {0.625637164778 0.623906090385 0.323456993143} H24 54 1 1 {} {0.55866613084 0.569472544969 0.576195458058} H25 55 1 1 {} {0.536489626493 0.54245038929 0.472241630977} H26 56 1 1 {} {0.5440867063 0.629365787459 0.49315618508} H27 57 1 1 {} {0.604407683796 0.824645020198 0.473307619963} H28 58 1 1 {} {0.607215070595 0.779740064345 0.575667232281} H29 59 1 1 {} {0.573100044241 0.75005589893 0.487513453796} H30 60 1 1 {} {0.656472581807 0.750387582162 0.309558029482} H31 61 1 1 {} {0.700707562194 0.800163299136 0.518264114211} H32 62 1 1 {} {0.657464291221 0.415590575338 0.354563344224} H33 63 1 1 {} {0.685109923635 0.400277990521 0.506124116476} H34 64 1 1 {} {0.539276613107 0.287281167632 0.413784734345} H35 65 1 1 {} {0.572874359307 0.362118477078 0.301346982381} H36 66 1 1 {} {0.538728687566 0.414531081698 0.582181767964} H37 67 1 1 {} {0.55873197551 0.295707651237 0.587669209143} H38 68 1 1 {} {0.617706358875 0.432537212724 0.677840288463} H39 69 1 1 {} {0.638170191237 0.354798153425 0.676019774698} H40 70 1 1 {} {0.640668462789 0.26762153563 0.299371051262} H41 71 1 1 {} {0.625600408322 0.218787621646 0.384831409885} 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