#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 {} {0.218209453687 0.526327250166 0.331153048851} C1 1 1 14 {} {0.272175607534 0.489360866144 0.289416821281} Si1 2 1 14 {} {0.171554738239 0.53482119885 0.250121875589} Si2 3 1 8 {} {0.284759821721 0.522334577249 0.191542883948} O1 4 1 8 {} {0.312204579861 0.50971749551 0.360247109808} O2 5 1 6 {} {0.270226362102 0.396172796239 0.282299130147} C2 6 1 6 {} {0.140021802645 0.455081347009 0.232429329194} C3 7 1 8 {} {0.196065876151 0.560715284689 0.155921377378} O3 8 1 8 {} {0.136225892507 0.595815009055 0.277140392305} O4 9 1 14 {} {0.363681418802 0.538445055875 0.365335788537} Si3 10 1 7 {} {0.398221776163 0.475517844872 0.407199242354} N1 11 1 14 {} {0.451290021698 0.472705867013 0.364242640059} Si4 12 1 14 {} {0.377868908436 0.421542968526 0.490251805514} Si5 13 1 7 {} {0.348839603605 0.459177268931 0.57529101229} N2 14 1 7 {} {0.470496391007 0.554368255097 0.366094743608} N3 15 1 1 {} {0.206653006322 0.497678877671 0.389607508426} H1 16 1 1 {} {0.22611435008 0.577122677923 0.355306991877} H2 17 1 1 {} {0.259257376193 0.542522527539 0.160758694598} H3 18 1 1 {} {0.265072165339 0.37313999685 0.348100852707} H4 19 1 1 {} {0.301939513077 0.377073808727 0.255579563241} H5 20 1 1 {} {0.2434516329 0.379028545279 0.237641350241} H6 21 1 1 {} {0.113504634825 0.461274743166 0.182359239643} H7 22 1 1 {} {0.124477780014 0.43732873294 0.294622124814} H8 23 1 1 {} {0.162431624914 0.415267807908 0.208807815615} H9 24 1 1 {} {0.177542150398 0.583731898582 0.112652672271} H10 25 1 1 {} {0.107823714807 0.58353293326 0.303186325607} H11 26 1 1 {} {0.380011709636 0.558499837314 0.275611185352} H12 27 1 1 {} {0.36253647015 0.597287013884 0.426377366312} H13 28 1 1 {} {0.476884617972 0.422308070606 0.41845344154} H14 29 1 1 {} {0.45501764245 0.456342003375 0.269028276591} H15 30 1 1 {} {0.346566810635 0.372270061944 0.44951829872} H16 31 1 1 {} {0.417491601081 0.387161640652 0.528971982051} H17 32 1 1 {} {0.317317267732 0.475666501457 0.56426456418} H18 33 1 1 {} {0.364836649109 0.489542424669 0.619110421797} H19 34 1 1 {} {0.496868873022 0.568423795784 0.326837691773} H20 35 1 1 {} {0.476359311704 0.576357763678 0.425974439051} H21 36 1 6 {} {0.642170671118 0.639586258543 0.481368689917} C4 37 1 14 {} {0.603287928829 0.575999146098 0.434563083264} Si6 38 1 14 {} {0.639631404079 0.726143154447 0.436725467482} Si7 39 1 8 {} {0.599699652248 0.58403740308 0.324235676304} O5 40 1 8 {} {0.622182315996 0.501015958471 0.4578437216} O6 41 1 6 {} {0.548416621337 0.583140567082 0.48705079409} C5 42 1 6 {} {0.592021085637 0.776637519859 0.481418813573} C6 43 1 8 {} {0.635233586919 0.715357897385 0.326129699041} O7 44 1 8 {} {0.687142642549 0.767573011934 0.452335224289} O8 45 1 14 {} {0.63267168411 0.422957686967 0.430083015712} Si8 46 1 7 {} {0.587491742727 0.37097059264 0.448372001214} N4 47 1 14 {} {0.568108238574 0.321256998224 0.359652618282} Si9 48 1 14 {} {0.562547851574 0.367591421651 0.55397344981} Si10 49 1 7 {} {0.597966964067 0.386273359016 0.641172974039} N5 50 1 7 {} {0.602894495467 0.258816060683 0.322109021128} N6 51 1 1 {} {0.637802553577 0.641026537346 0.554435565407} H22 52 1 1 {} {0.676132007321 0.620851424864 0.469056609234} H23 53 1 1 {} {0.61244633874 0.626303050334 0.302191545108} H24 54 1 1 {} {0.546261126788 0.572266064391 0.557866289501} H25 55 1 1 {} {0.528928875523 0.543787613372 0.455823931308} H26 56 1 1 {} {0.53164729724 0.631222312314 0.472545588709} H27 57 1 1 {} {0.59124368872 0.827052782333 0.451979691148} H28 58 1 1 {} {0.594053318912 0.782157620581 0.554364903304} H29 59 1 1 {} {0.559930186249 0.752510649928 0.466206097692} H30 60 1 1 {} {0.643303422255 0.75278570693 0.288235819294} H31 61 1 1 {} {0.687553105968 0.802576895026 0.496919277692} H32 62 1 1 {} {0.644305623874 0.418066712701 0.333244230593} H33 63 1 1 {} {0.67196392376 0.402793516628 0.484837673612} H34 64 1 1 {} {0.526152179917 0.289753732059 0.392506859758} H35 65 1 1 {} {0.559706616399 0.364558683871 0.280155557333} H36 66 1 1 {} {0.52563899798 0.41697818164 0.561359641165} H37 67 1 1 {} {0.545567701763 0.298069703563 0.566502096051} H38 68 1 1 {} {0.604567318285 0.435061088104 0.656689595784} H39 69 1 1 {} {0.625172384741 0.357103611608 0.65488054648} H40 70 1 1 {} {0.627450049506 0.270056913891 0.278128893797} H41 71 1 1 {} {0.612383097075 0.221298352882 0.363385459403} 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