#MD System 2.0 @Title neb0_image02 @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 {} {0.360098050164 0.551352181283 0.413676900546} C1 1 1 14 {} {0.336832815937 0.524835811239 0.524381514581} Si1 2 1 14 {} {0.421724462602 0.56206230261 0.40955299037} Si2 3 1 8 {} {0.349867374856 0.58153847759 0.600231361474} O1 4 1 8 {} {0.281610644229 0.523067066202 0.51705554243} O2 5 1 6 {} {0.355572720082 0.43956061981 0.559024763304} C2 6 1 6 {} {0.452862142935 0.481718793677 0.394947875364} C3 7 1 8 {} {0.434683051954 0.596930249716 0.508464709272} O3 8 1 8 {} {0.434914310371 0.613421629177 0.326506899303} O4 9 1 14 {} {0.231469895384 0.527768778879 0.558377997898} Si3 10 1 7 {} {0.211754515227 0.449617986475 0.592753100169} N1 11 1 14 {} {0.189413193931 0.441243433183 0.70030097444} Si4 12 1 14 {} {0.212168959827 0.381928903031 0.517654727291} Si5 13 1 7 {} {0.206115832622 0.403264350473 0.407249557466} N2 14 1 7 {} {0.138906481807 0.480203535019 0.720493489124} N3 15 1 1 {} {0.350133101387 0.515598997889 0.361340454118} H1 16 1 1 {} {0.344528800519 0.599720490382 0.39660339724} H2 17 1 1 {} {0.379806825961 0.59984970213 0.590806626209} H3 18 1 1 {} {0.346896085286 0.400994273224 0.50965041471} H4 19 1 1 {} {0.339833988385 0.425710567512 0.622711788399} H5 20 1 1 {} {0.391939699142 0.438290622541 0.569115488043} H6 21 1 1 {} {0.488956761083 0.491233079329 0.391965385561} H7 22 1 1 {} {0.443303193068 0.457438979067 0.331928383262} H8 23 1 1 {} {0.446597607687 0.446229138855 0.449480277098} H9 24 1 1 {} {0.465458288837 0.611494962854 0.514521939519} H10 25 1 1 {} {0.466952549222 0.615621611223 0.315383924881} H11 26 1 1 {} {0.229775430351 0.571988779919 0.638661206044} H12 27 1 1 {} {0.202480746903 0.55582342699 0.486831667909} H13 28 1 1 {} {0.182726672772 0.368182107466 0.714492512094} H14 29 1 1 {} {0.220906421877 0.470495456933 0.766294457572} H15 30 1 1 {} {0.255394128629 0.345272512452 0.523451972184} H16 31 1 1 {} {0.174505292808 0.337464203824 0.544302308381} H17 32 1 1 {} {0.233162355205 0.417840269546 0.371278088751} H18 33 1 1 {} {0.178161251487 0.426683241197 0.385056539663} H19 34 1 1 {} {0.138116560382 0.529835704948 0.735383028202} H20 35 1 1 {} {0.110882237814 0.466389556228 0.687007812419} H21 36 1 6 {} {0.63071499022 0.641148274678 0.349313611495} C4 37 1 14 {} {0.587567963484 0.578688655523 0.386592996436} Si6 38 1 14 {} {0.625073906948 0.72964597841 0.385823004559} Si7 39 1 8 {} {0.537413455964 0.614808484727 0.381019575094} O5 40 1 8 {} {0.588142065307 0.514342619753 0.319505600457} O6 41 1 6 {} {0.598519730088 0.546833639663 0.501593024691} C5 42 1 6 {} {0.64331680837 0.746688631707 0.502964322189} C6 43 1 8 {} {0.570219770714 0.744475539549 0.374491026707} O7 44 1 8 {} {0.652771564278 0.779085390946 0.315913144328} O8 45 1 14 {} {0.582058481877 0.453830245553 0.246468162865} Si8 46 1 7 {} {0.594496324918 0.375775028517 0.289612169347} N4 47 1 14 {} {0.551030232986 0.319538809434 0.313121594594} Si9 48 1 14 {} {0.64922871412 0.350625788159 0.314896535614} Si10 49 1 7 {} {0.69013371764 0.396894538161 0.263768388041} N5 50 1 7 {} {0.527076717393 0.276319556501 0.22614376803} N6 51 1 1 {} {0.664114279309 0.622788446355 0.368049544758} H22 52 1 1 {} {0.629936384148 0.641971773756 0.275662360246} H23 53 1 1 {} {0.539951985958 0.663873495349 0.376567780718} H24 54 1 1 {} {0.630635358389 0.52027047602 0.504522820419} H25 55 1 1 {} {0.572409439606 0.511352943296 0.522047189569} H26 56 1 1 {} {0.599424583743 0.587456538502 0.551054644328} H27 57 1 1 {} {0.638075144518 0.799462821234 0.521163096184} H28 58 1 1 {} {0.678909625544 0.735258372254 0.512302176169} H29 59 1 1 {} {0.624337569236 0.716151757761 0.550751201327} H30 60 1 1 {} {0.559767548396 0.790312222996 0.371476351078} H31 61 1 1 {} {0.670749955612 0.81468772966 0.341003066094} H32 62 1 1 {} {0.534400949502 0.451724053367 0.217627397359} H33 63 1 1 {} {0.611285014954 0.469998398092 0.169098163172} H34 64 1 1 {} {0.570908354656 0.268720771663 0.374302721845} H35 65 1 1 {} {0.514122238046 0.357241602788 0.356398280224} H36 66 1 1 {} {0.65842861646 0.356688929573 0.412476454405} H37 67 1 1 {} {0.653060701621 0.279163052973 0.286849593991} H38 68 1 1 {} {0.703600012787 0.437499832324 0.294082398488} H39 69 1 1 {} {0.693210302848 0.399684008894 0.196467938806} H40 70 1 1 {} {0.504764623642 0.299432193237 0.185279726869} H41 71 1 1 {} {0.544552747648 0.240823876237 0.192201760455} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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