#MD System 2.0 @Title neb0_image01 @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 {} {0.202555788961 0.52920959409 0.30558628057} C1 1 1 14 {} {0.256434098664 0.492097434659 0.263751907399} Si1 2 1 14 {} {0.155844586333 0.537643128963 0.224660904749} Si2 3 1 8 {} {0.268989947288 0.5251423522 0.165839389021} O1 4 1 8 {} {0.296482892109 0.512293301494 0.334604547077} O2 5 1 6 {} {0.254449461548 0.398918725626 0.256876031965} C2 6 1 6 {} {0.124253172422 0.457985710965 0.206924913716} C3 7 1 8 {} {0.180275951041 0.563375774493 0.130261180825} O3 8 1 8 {} {0.120508303416 0.598764216364 0.251860013973} O4 9 1 14 {} {0.347933395686 0.541390663915 0.339855651032} Si3 10 1 7 {} {0.382708798226 0.478539434944 0.381646232559} N1 11 1 14 {} {0.437136204006 0.476915373733 0.340764879472} Si4 12 1 14 {} {0.362293923404 0.424262806988 0.464341894802} Si5 13 1 7 {} {0.333107224956 0.462024243068 0.549730098891} N2 14 1 7 {} {0.459177121522 0.55661277293 0.346909198432} N3 15 1 1 {} {0.190882919319 0.500630758695 0.364049502324} H1 16 1 1 {} {0.210385836274 0.580071659694 0.32967668623} H2 17 1 1 {} {0.243514917074 0.545441174055 0.135173098655} H3 18 1 1 {} {0.249286171107 0.375913105563 0.322706276104} H4 19 1 1 {} {0.28616937196 0.37990315278 0.230117541453} H5 20 1 1 {} {0.227664002476 0.381916510146 0.212147609016} H6 21 1 1 {} {0.0977383902782 0.464235601446 0.156862613096} H7 22 1 1 {} {0.108693117311 0.440305349387 0.269120495827} H8 23 1 1 {} {0.146616503902 0.418118142303 0.183318623023} H9 24 1 1 {} {0.161798517678 0.586634673809 0.0872192500808} H10 25 1 1 {} {0.092126252739 0.586344334196 0.277719038432} H11 26 1 1 {} {0.364345585578 0.561455962959 0.250038641021} H12 27 1 1 {} {0.34674377403 0.60022092628 0.400940896872} H13 28 1 1 {} {0.461072084651 0.424362922138 0.393214371541} H14 29 1 1 {} {0.439181667851 0.459583515324 0.243943858773} H15 30 1 1 {} {0.330838644019 0.37515066176 0.423956078063} H16 31 1 1 {} {0.401766179292 0.39000877414 0.503539385508} H17 32 1 1 {} {0.301467915851 0.478465405207 0.538661064638} H18 33 1 1 {} {0.349058703502 0.492503654311 0.593645693174} H19 34 1 1 {} {0.481961538459 0.571548045111 0.300898247603} H20 35 1 1 {} {0.465010153499 0.578846770138 0.406925276096} H21 36 1 6 {} {0.657683679882 0.636758835658 0.507025882973} C4 37 1 14 {} {0.618210696683 0.572837348768 0.459228179118} Si6 38 1 14 {} {0.655337673709 0.723376751784 0.462066791176} Si7 39 1 8 {} {0.615974679386 0.581033210311 0.349566258783} O5 40 1 8 {} {0.638039410865 0.498139686838 0.483576671239} O6 41 1 6 {} {0.561057992971 0.578904562106 0.508290417072} C5 42 1 6 {} {0.607719908388 0.773801446845 0.506823550822} C6 43 1 8 {} {0.651335677521 0.712443099218 0.351595966063} O7 44 1 8 {} {0.702871051922 0.764912316221 0.477711719766} O8 45 1 14 {} {0.648558606271 0.420229406964 0.455635278646} Si8 46 1 7 {} {0.603170741907 0.368081205769 0.473668099301} N4 47 1 14 {} {0.583583683375 0.318887481504 0.385145213584} Si9 48 1 14 {} {0.578506942457 0.364590147027 0.58009270248} Si10 49 1 7 {} {0.613644260678 0.383432909589 0.667134938746} N5 50 1 7 {} {0.618576589607 0.256133646474 0.347805475994} N6 51 1 1 {} {0.653606580708 0.638260754202 0.580110586557} H22 52 1 1 {} {0.691765353561 0.618061110204 0.494471919137} H23 53 1 1 {} {0.628228793028 0.623419993004 0.327609917278} H24 54 1 1 {} {0.561119026489 0.569047250926 0.580467865249} H25 55 1 1 {} {0.538982026228 0.541939584256 0.476554865802} H26 56 1 1 {} {0.546583290299 0.628824890094 0.49736002759} H27 57 1 1 {} {0.606966169311 0.824254876263 0.477478773757} H28 58 1 1 {} {0.60982124963 0.779320508232 0.579779406858} H29 59 1 1 {} {0.575629506222 0.749663902872 0.491758264206} H30 60 1 1 {} {0.659152895055 0.749955206863 0.313655106118} H31 61 1 1 {} {0.703252801144 0.799804819102 0.522557712919} H32 62 1 1 {} {0.660056610892 0.41515828929 0.358875594007} H33 63 1 1 {} {0.687726211213 0.399767916197 0.510432061707} H34 64 1 1 {} {0.541806858561 0.286918974251 0.417962842462} H35 65 1 1 {} {0.575434915849 0.361690143776 0.305491923324} H36 66 1 1 {} {0.541223926013 0.41385387056 0.586361292787} H37 67 1 1 {} {0.561381778851 0.295106442331 0.591736224427} H38 68 1 1 {} {0.620229512526 0.432041159921 0.68185622522} H39 69 1 1 {} {0.64071831176 0.354386420391 0.680228830243} H40 70 1 1 {} {0.643163344922 0.267171818023 0.303374544237} H41 71 1 1 {} {0.628083985235 0.218256366582 0.388829635708} 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