#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 {} {0.226707013899 0.524497049814 0.346794613663} C1 1 1 14 {} {0.279365589171 0.486833953215 0.305296620882} Si1 2 1 14 {} {0.181237070918 0.533521876823 0.267056006794} Si2 3 1 8 {} {0.294105922347 0.516027365138 0.205976818239} O1 4 1 8 {} {0.311282929962 0.51557099349 0.386897292159} O2 5 1 6 {} {0.280743637306 0.393356738823 0.300612098871} C2 6 1 6 {} {0.150755116713 0.453348328581 0.248892005375} C3 7 1 8 {} {0.206400976194 0.561559492958 0.174434214308} O3 8 1 8 {} {0.145877018497 0.593741955126 0.297172975601} O4 9 1 14 {} {0.363780344584 0.530594733693 0.378634581671} Si3 10 1 7 {} {0.394451879593 0.458972771789 0.402544719797} N1 11 1 14 {} {0.439142885312 0.463482590139 0.329215355142} Si4 12 1 14 {} {0.384830209372 0.415372828438 0.501761081042} Si5 13 1 7 {} {0.359297483568 0.455654622493 0.590321134734} N2 14 1 7 {} {0.431801509285 0.549241155386 0.281280716573} N3 15 1 1 {} {0.217128841182 0.496011984589 0.406609340942} H1 16 1 1 {} {0.237573195176 0.574157321287 0.37071982511} H2 17 1 1 {} {0.270004516748 0.540522749299 0.176112036691} H3 18 1 1 {} {0.275345224333 0.370202392061 0.366312099624} H4 19 1 1 {} {0.312564393929 0.374502961459 0.273857113495} H5 20 1 1 {} {0.254125507331 0.376376205791 0.255168724095} H6 21 1 1 {} {0.12424233979 0.459837863782 0.199211355525} H7 22 1 1 {} {0.135266594012 0.436862569666 0.311656947018} H8 23 1 1 {} {0.172674753145 0.41270131303 0.226138660415} H9 24 1 1 {} {0.18757780708 0.582562367211 0.130395133625} H10 25 1 1 {} {0.118063747546 0.578683831635 0.322539330602} H11 26 1 1 {} {0.373144887934 0.553097934581 0.284095675763} H12 27 1 1 {} {0.375188108136 0.590154817595 0.441162239245} H13 28 1 1 {} {0.483921841184 0.465893709794 0.387892789958} H14 29 1 1 {} {0.444664919511 0.398342240775 0.258179609957} H15 30 1 1 {} {0.353059272563 0.35969422045 0.482231304861} H16 31 1 1 {} {0.42546445566 0.386687673244 0.544024115471} H17 32 1 1 {} {0.327669850371 0.474229180531 0.585031676272} H18 33 1 1 {} {0.374105478382 0.486428972593 0.63552341772} H19 34 1 1 {} {0.456942984358 0.578801755201 0.312023289551} H20 35 1 1 {} {0.394134410811 0.599961584757 0.293757400088} H21 36 1 6 {} {0.659601561065 0.644507769904 0.465879081896} C4 37 1 14 {} {0.61356188946 0.579227837833 0.440221634204} Si6 38 1 14 {} {0.639310575236 0.730503547172 0.418735083408} Si7 39 1 8 {} {0.580173573762 0.595090062334 0.352699658889} O5 40 1 8 {} {0.634195136655 0.503808523669 0.44286941649} O6 41 1 6 {} {0.573962554621 0.576245951057 0.540531316926} C5 42 1 6 {} {0.584688105835 0.774779894126 0.462482258558} C6 43 1 8 {} {0.6292233368 0.720352161884 0.309039455964} O7 44 1 8 {} {0.680041007568 0.792045099261 0.424529094885} O8 45 1 14 {} {0.627177657893 0.423962052217 0.413458711943} Si8 46 1 7 {} {0.578299205585 0.376854334445 0.432904200626} N4 47 1 14 {} {0.557236410264 0.324598269057 0.343233202514} Si9 48 1 14 {} {0.554371917205 0.367404674077 0.539536346288} Si10 49 1 7 {} {0.590496633895 0.385382179424 0.625143504557} N5 50 1 7 {} {0.591316288212 0.261262903115 0.304335347525} N6 51 1 1 {} {0.653155127202 0.652923796437 0.537361336264} H22 52 1 1 {} {0.699202384609 0.654407908112 0.472573368761} H23 53 1 1 {} {0.590651489517 0.62177608842 0.302061179606} H24 54 1 1 {} {0.589642641566 0.616092816381 0.599577025701} H25 55 1 1 {} {0.565519860002 0.525062572202 0.574569755195} H26 56 1 1 {} {0.539635774887 0.589550626583 0.510169351435} H27 57 1 1 {} {0.581924880008 0.826018949768 0.433132181864} H28 58 1 1 {} {0.584473988131 0.783343444636 0.535479437518} H29 59 1 1 {} {0.551789572273 0.751976552336 0.446713036343} H30 60 1 1 {} {0.631685324781 0.755923551919 0.26401266189} H31 61 1 1 {} {0.679513685709 0.815934398859 0.483358995048} H32 62 1 1 {} {0.633768897425 0.415057401601 0.315698021671} H33 63 1 1 {} {0.664411122654 0.394669818884 0.467107499032} H34 64 1 1 {} {0.515531272154 0.290845709727 0.376076577033} H35 65 1 1 {} {0.548629971058 0.366531802976 0.264482830562} H36 66 1 1 {} {0.517803472438 0.418141538811 0.557465743051} H37 67 1 1 {} {0.535562021619 0.298557592117 0.549392083989} H38 68 1 1 {} {0.594190561876 0.43476470564 0.64257065228} H39 69 1 1 {} {0.618620803407 0.359230000475 0.641469267904} H40 70 1 1 {} {0.615498547215 0.271863833555 0.25882146448} H41 71 1 1 {} {0.600167936455 0.221114457773 0.342584846532} 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