#MD System 2.0 @Title neb0_image04 @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 {} {0.211303453782 0.527565095653 0.318722383837} C1 1 1 14 {} {0.264805549118 0.489783998104 0.277165606875} Si1 2 1 14 {} {0.164477277492 0.536022387093 0.238450125405} Si2 3 1 8 {} {0.276972408319 0.520219257096 0.177619100932} O1 4 1 8 {} {0.304245096711 0.512063897102 0.348042330987} O2 5 1 6 {} {0.262914247179 0.396605517189 0.271647745511} C2 6 1 6 {} {0.132833467709 0.456405266876 0.220900317403} C3 7 1 8 {} {0.188554873428 0.562578551175 0.144097299894} O3 8 1 8 {} {0.129030969211 0.596491364303 0.267472681011} O4 9 1 14 {} {0.355812986576 0.540331025879 0.353642185504} Si3 10 1 7 {} {0.389864712286 0.476197073745 0.394249536723} N1 11 1 14 {} {0.442994372862 0.473991870234 0.347993169239} Si4 12 1 14 {} {0.370477264512 0.42221842831 0.478237062155} Si5 13 1 7 {} {0.341397347354 0.460074564188 0.563579292913} N2 14 1 7 {} {0.460430910623 0.556344055551 0.345738484642} N3 15 1 1 {} {0.199687770793 0.499436634693 0.377634171416} H1 16 1 1 {} {0.21949349036 0.578427282753 0.342408727764} H2 17 1 1 {} {0.252081671232 0.543069588686 0.148393465951} H3 18 1 1 {} {0.257433748623 0.373336270708 0.337142329256} H4 19 1 1 {} {0.294523455148 0.377312812764 0.24484936363} H5 20 1 1 {} {0.236175052584 0.380077717429 0.226463760388} H6 21 1 1 {} {0.106376884783 0.463045566463 0.17086463436} H7 22 1 1 {} {0.117147415696 0.439307536753 0.283289217248} H8 23 1 1 {} {0.154849735111 0.41602909222 0.197600683396} H9 24 1 1 {} {0.16986276426 0.58566235827 0.10131743905} H10 25 1 1 {} {0.100708585075 0.583063088579 0.292687012145} H11 26 1 1 {} {0.372340805237 0.56059643706 0.264219346239} H12 27 1 1 {} {0.355143592049 0.59858851424 0.415858386723} H13 28 1 1 {} {0.469832345401 0.426318823868 0.403347081517} H14 29 1 1 {} {0.444993562887 0.450667865098 0.253336118171} H15 30 1 1 {} {0.339199565397 0.372626939426 0.438674888614} H16 31 1 1 {} {0.410263404528 0.388602029789 0.516955975282} H17 32 1 1 {} {0.309727040034 0.476271986437 0.552309258413} H18 33 1 1 {} {0.357001345615 0.49100619181 0.607408746095} H19 34 1 1 {} {0.488696909938 0.567065335449 0.310498332466} H20 35 1 1 {} {0.461277661717 0.580688790843 0.405365225958} H21 36 1 6 {} {0.652334429414 0.639805300508 0.493224835426} C4 37 1 14 {} {0.612430159104 0.575430187699 0.449476720233} Si6 38 1 14 {} {0.647635955801 0.726064052002 0.447336237682} Si7 39 1 8 {} {0.604380568488 0.583985344571 0.340860537424} O5 40 1 8 {} {0.632380006815 0.500217382904 0.470454255114} O6 41 1 6 {} {0.557283653304 0.580513761549 0.50564515041} C5 42 1 6 {} {0.599334565275 0.775536367309 0.491855800665} C6 43 1 8 {} {0.643992400683 0.713926150926 0.33719265807} O7 44 1 8 {} {0.694481799315 0.769284730969 0.462628852102} O8 45 1 14 {} {0.640674140544 0.421806186911 0.442398719329} Si8 46 1 7 {} {0.594666301197 0.37063744986 0.459811907842} N4 47 1 14 {} {0.574970312083 0.321325785175 0.370991068985} Si9 48 1 14 {} {0.570131196442 0.365836499259 0.566441611398} Si10 49 1 7 {} {0.605205805599 0.38511793056 0.65337602604} N5 50 1 7 {} {0.609632608693 0.258272367034 0.333209587342} N6 51 1 1 {} {0.647428300323 0.641089803903 0.566064006088} H22 52 1 1 {} {0.686902317724 0.623110787272 0.48145199314} H23 53 1 1 {} {0.618193502987 0.623880601554 0.314977025968} H24 54 1 1 {} {0.558560322595 0.575364726388 0.578767116767} H25 55 1 1 {} {0.537864983758 0.538335927698 0.478599409914} H26 56 1 1 {} {0.540017011356 0.627177606003 0.488956253829} H27 57 1 1 {} {0.598477664753 0.826110418718 0.462705584005} H28 58 1 1 {} {0.601556855246 0.781317623677 0.564744055821} H29 59 1 1 {} {0.567075143495 0.751774740579 0.477299853853} H30 60 1 1 {} {0.650719277695 0.751503161856 0.298530368157} H31 61 1 1 {} {0.694721372682 0.802838934636 0.509367103499} H32 62 1 1 {} {0.651769059476 0.416820336557 0.345540252399} H33 63 1 1 {} {0.679546053964 0.400485189354 0.497350178595} H34 64 1 1 {} {0.533236380665 0.289260440896 0.403908041982} H35 65 1 1 {} {0.566800483922 0.363985301956 0.291370281948} H36 66 1 1 {} {0.53235134278 0.414194187814 0.573864800282} H37 67 1 1 {} {0.553503783076 0.295945997804 0.577695828893} H38 68 1 1 {} {0.611531635018 0.433823569144 0.667604947588} H39 69 1 1 {} {0.632330238857 0.356391032819 0.666795758368} H40 70 1 1 {} {0.634047747748 0.268697088136 0.288132473922} H41 71 1 1 {} {0.618578652234 0.219342688925 0.372997348652} 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