#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 {} {0.224240279714 0.525244734596 0.340867911126} C1 1 1 14 {} {0.2776992132 0.487952322562 0.298995096884} Si1 2 1 14 {} {0.177878254675 0.533708531121 0.260017102522} Si2 3 1 8 {} {0.29051484401 0.519512368445 0.200471713393} O1 4 1 8 {} {0.315991219653 0.510986628153 0.371568025436} O2 5 1 6 {} {0.276416602655 0.394730744431 0.292729112945} C2 6 1 6 {} {0.146265586569 0.454052689886 0.242295700121} C3 7 1 8 {} {0.202411542701 0.560846659644 0.166416862153} O3 8 1 8 {} {0.142404353144 0.593972332326 0.28824077178} O4 9 1 14 {} {0.368014490625 0.537502933894 0.373310362101} Si3 10 1 7 {} {0.398484140153 0.469168644125 0.413324046859} N1 11 1 14 {} {0.445779979874 0.464511159017 0.34683653412} Si4 12 1 14 {} {0.38251145852 0.418647598826 0.50168778266} Si5 13 1 7 {} {0.354218430282 0.457425581577 0.587815349673} N2 14 1 7 {} {0.438805723754 0.56373487165 0.312677753266} N3 15 1 1 {} {0.212856134013 0.496622531649 0.399479459321} H1 16 1 1 {} {0.232667774512 0.575997472739 0.36480866214} H2 17 1 1 {} {0.265503047231 0.541400142692 0.170095081447} H3 18 1 1 {} {0.271116486975 0.371444213043 0.358203560474} H4 19 1 1 {} {0.308048692901 0.37543155964 0.266057717057} H5 20 1 1 {} {0.249643920972 0.378027624728 0.24790856577} H6 21 1 1 {} {0.119738830701 0.460524163313 0.192369627921} H7 22 1 1 {} {0.130623430868 0.436693910212 0.304665414009} H8 23 1 1 {} {0.16839191509 0.41381960269 0.218944022601} H9 24 1 1 {} {0.183382313991 0.582853096313 0.122819067232} H10 25 1 1 {} {0.113939303055 0.581307940062 0.313894641192} H11 26 1 1 {} {0.383676750445 0.55662950309 0.283938207861} H12 27 1 1 {} {0.369295644996 0.595918908241 0.436658115334} H13 28 1 1 {} {0.482176909445 0.436077137435 0.41563494007} H14 29 1 1 {} {0.456127243257 0.432921920625 0.260337132329} H15 30 1 1 {} {0.351310879566 0.367752054486 0.462021187093} H16 31 1 1 {} {0.423677548385 0.386034069893 0.538620679973} H17 32 1 1 {} {0.323181480576 0.474973655648 0.574981182512} H18 33 1 1 {} {0.370357274082 0.488897278844 0.629920522934} H19 34 1 1 {} {0.485213770122 0.561433735906 0.318617412852} H20 35 1 1 {} {0.423168276312 0.586728049006 0.373929525195} H21 36 1 6 {} {0.648563117688 0.644786513574 0.471869221606} C4 37 1 14 {} {0.610829951008 0.582247325334 0.438036360385} Si6 38 1 14 {} {0.635955273591 0.729519984353 0.425371071447} Si7 39 1 8 {} {0.589050302137 0.588352110778 0.332026994147} O5 40 1 8 {} {0.62188298452 0.501588134755 0.447172626275} O6 41 1 6 {} {0.564832918707 0.589488887592 0.520745231122} C5 42 1 6 {} {0.586254852811 0.777126997129 0.47093342868} C6 43 1 8 {} {0.630325274717 0.716426513317 0.315551385335} O7 44 1 8 {} {0.682377240115 0.77374822538 0.439977207411} O8 45 1 14 {} {0.627682816412 0.42287097984 0.421023154807} Si8 46 1 7 {} {0.581178664654 0.37169994216 0.437571385151} N4 47 1 14 {} {0.561901677055 0.322536051164 0.350623460594} Si9 48 1 14 {} {0.557114819754 0.368093490121 0.546590900295} Si10 49 1 7 {} {0.592912919534 0.386749050784 0.630231525887} N5 50 1 7 {} {0.596161797457 0.259122704726 0.310824754935} N6 51 1 1 {} {0.635598357531 0.642761993784 0.542171307476} H22 52 1 1 {} {0.683436948963 0.630333406088 0.463188756971} H23 53 1 1 {} {0.602617142662 0.624758836745 0.295210405114} H24 54 1 1 {} {0.561356705363 0.591124158688 0.596124285069} H25 55 1 1 {} {0.567787044794 0.525440523266 0.498323987996} H26 56 1 1 {} {0.535693589472 0.620124002666 0.480708625482} H27 57 1 1 {} {0.585230484985 0.827756741159 0.441431263061} H28 58 1 1 {} {0.588016412636 0.783338112677 0.543864546148} H29 59 1 1 {} {0.553854999853 0.753717767921 0.455850219757} H30 60 1 1 {} {0.636842423605 0.753779494016 0.276538070709} H31 61 1 1 {} {0.681787091857 0.806148395617 0.487583080527} H32 62 1 1 {} {0.638118723317 0.418504190127 0.322423645529} H33 63 1 1 {} {0.666712574594 0.402668474087 0.475500110141} H34 64 1 1 {} {0.519937706922 0.290612062554 0.382953293664} H35 65 1 1 {} {0.553382654434 0.365846329192 0.270823149915} H36 66 1 1 {} {0.520615315786 0.417972567979 0.558091106267} H37 67 1 1 {} {0.539297246126 0.298321459999 0.556661254815} H38 68 1 1 {} {0.598083354831 0.435436726561 0.64716977693} H39 69 1 1 {} {0.619960164295 0.358100032949 0.64621278801} H40 70 1 1 {} {0.62084899502 0.271053663838 0.267520733361} H41 71 1 1 {} {0.605741559027 0.221660719772 0.351750124979} 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