#MD System 2.0 @Title neb0_image07 @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 {} {0.360282125131 0.530657095466 0.423286250592} C1 1 1 14 {} {0.341412019143 0.497487708933 0.534430203455} Si1 2 1 14 {} {0.414676812923 0.575073328474 0.418248008364} Si2 3 1 8 {} {0.344732223696 0.557788044726 0.60958103596} O1 4 1 8 {} {0.288593834042 0.475542583656 0.526382362233} O2 5 1 6 {} {0.373104529727 0.421513534655 0.569734419018} C2 6 1 6 {} {0.463529427663 0.518809708519 0.411754153061} C3 7 1 8 {} {0.416981719782 0.617719209893 0.514920261789} O3 8 1 8 {} {0.415219193113 0.625300083479 0.329592807805} O4 9 1 14 {} {0.236169211417 0.481064576378 0.556977304337} Si3 10 1 7 {} {0.216578964524 0.402345853864 0.588394728883} N1 11 1 14 {} {0.180567024434 0.398063120896 0.680264067731} Si4 12 1 14 {} {0.232161213622 0.332352668347 0.524401346885} Si5 13 1 7 {} {0.233378300886 0.344817731044 0.410814971263} N2 14 1 7 {} {0.133047064166 0.446410466139 0.673123630323} N3 15 1 1 {} {0.360157028811 0.490207905385 0.373259045424} H1 16 1 1 {} {0.335261206819 0.567518783611 0.401222359194} H2 17 1 1 {} {0.368523232902 0.589928231459 0.596527844314} H3 18 1 1 {} {0.36977027692 0.380495468643 0.521265933822} H4 19 1 1 {} {0.36044441827 0.403410669945 0.634246085668} H5 20 1 1 {} {0.408817324594 0.432448613052 0.578010188831} H6 21 1 1 {} {0.496133581821 0.543904393133 0.412239252325} H7 22 1 1 {} {0.461959319809 0.486761755482 0.35209015049} H8 23 1 1 {} {0.46281217719 0.486215520586 0.470307593685} H9 24 1 1 {} {0.442606867188 0.64649970193 0.524425440239} H10 25 1 1 {} {0.444319284745 0.63250033275 0.302811597121} H11 26 1 1 {} {0.23044301103 0.526738647521 0.634959184803} H12 27 1 1 {} {0.210711313666 0.507659704955 0.479247607555} H13 28 1 1 {} {0.167676480214 0.326382697611 0.688457689777} H14 29 1 1 {} {0.203606735563 0.422440402362 0.762153988879} H15 30 1 1 {} {0.278088234807 0.310677122696 0.549317682686} H16 31 1 1 {} {0.199035891925 0.278953305569 0.544761197193} H17 32 1 1 {} {0.25983763663 0.368771070812 0.382876800219} H18 33 1 1 {} {0.204893069808 0.355462790831 0.376830739848} H19 34 1 1 {} {0.132859239392 0.494032187576 0.696842672148} H20 35 1 1 {} {0.110369436161 0.440437123747 0.623368050971} H21 36 1 6 {} {0.581606481517 0.352120420534 0.308466124587} C4 37 1 14 {} {0.577935689299 0.384384278276 0.426069202121} Si6 38 1 14 {} {0.565492710843 0.263086374392 0.290615131941} Si7 39 1 8 {} {0.606878664782 0.336036168687 0.49401207681} O5 40 1 8 {} {0.599204975246 0.460670952962 0.430531050175} O6 41 1 6 {} {0.519122589878 0.389964954134 0.463792448757} C5 42 1 6 {} {0.50461760795 0.252516399737 0.267061620453} C6 43 1 8 {} {0.580635729597 0.224467333174 0.384940446907} O7 44 1 8 {} {0.59517742803 0.226070088559 0.210752616473} O8 45 1 14 {} {0.642926023918 0.50541685578 0.459248186659} Si8 46 1 7 {} {0.627449534643 0.586513462307 0.486338368977} N4 47 1 14 {} {0.634011127904 0.614317300561 0.59681443123} Si9 48 1 14 {} {0.603613198528 0.64027618713 0.4073468836} Si10 49 1 7 {} {0.614792216212 0.620850304562 0.297729726327} N5 50 1 7 {} {0.686808125711 0.634225790626 0.633311862795} N6 51 1 1 {} {0.562082461371 0.383971616029 0.262768596759} H22 52 1 1 {} {0.616834504884 0.357304815988 0.28880590638} H23 53 1 1 {} {0.603941859615 0.289081992287 0.476342085953} H24 54 1 1 {} {0.501566918723 0.421276469331 0.41594217181} H25 55 1 1 {} {0.516725586565 0.414806745638 0.529693925748} H26 56 1 1 {} {0.501236531842 0.341925533346 0.466122733344} H27 57 1 1 {} {0.495334393762 0.199369105868 0.262472097293} H28 58 1 1 {} {0.495320191135 0.276607747083 0.203689663413} H29 59 1 1 {} {0.484204084056 0.275307207553 0.319896326654} H30 60 1 1 {} {0.583518268643 0.176162129344 0.382683901675} H31 61 1 1 {} {0.582006396364 0.22207249804 0.151997536424} H32 62 1 1 {} {0.665052504191 0.47683465514 0.539840030802} H33 63 1 1 {} {0.674732851785 0.505198882366 0.382544031536} H34 64 1 1 {} {0.606510637611 0.676343819742 0.603144335591} H35 65 1 1 {} {0.617658629108 0.561371686915 0.658126044056} H36 66 1 1 {} {0.55379935469 0.639510165876 0.414839794545} H37 67 1 1 {} {0.620564406367 0.709188435617 0.425244760134} H38 68 1 1 {} {0.598373679468 0.582716153246 0.267586023} H39 69 1 1 {} {0.646252190179 0.624611494343 0.27347289841} H40 70 1 1 {} {0.708251185611 0.5968395071 0.650884506083} H41 71 1 1 {} {0.703833810288 0.673316610691 0.605832118422} 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