#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 {} {0.221013219365 0.525812007455 0.335661823945} C1 1 1 14 {} {0.274970931769 0.488789284027 0.293847832658} Si1 2 1 14 {} {0.174348373683 0.534267802809 0.25459330662} Si2 3 1 8 {} {0.287522493381 0.521850129247 0.196046648109} O1 4 1 8 {} {0.314938189187 0.509217851643 0.364715670454} O2 5 1 6 {} {0.272988968571 0.395626682213 0.286785654168} C2 6 1 6 {} {0.14277535658 0.454567265342 0.236910676479} C3 7 1 8 {} {0.198847709225 0.560219811204 0.160396071186} O3 8 1 8 {} {0.138989712694 0.595292544534 0.281571655377} O4 9 1 14 {} {0.366441757086 0.537926497147 0.369810954535} Si3 10 1 7 {} {0.400750298769 0.474912883311 0.411911573465} N1 11 1 14 {} {0.453243515148 0.471002741751 0.367637692769} Si4 12 1 14 {} {0.380593431799 0.421105809621 0.494938692752} Si5 13 1 7 {} {0.351580982824 0.458693210201 0.579877621466} N2 14 1 7 {} {0.470565183431 0.554790841597 0.366562116448} N3 15 1 1 {} {0.209412957112 0.497169276168 0.394093721146} H1 16 1 1 {} {0.228874977941 0.576631098628 0.359795280781} H2 17 1 1 {} {0.262018812329 0.542012630454 0.165237519693} H3 18 1 1 {} {0.267829222665 0.372630451384 0.352598256599} H4 19 1 1 {} {0.304695481152 0.376561690518 0.260053538692} H5 20 1 1 {} {0.246211593153 0.378524548133 0.242111496137} H6 21 1 1 {} {0.116266089501 0.460770132165 0.186834491835} H7 22 1 1 {} {0.127236273086 0.436818818164 0.29910549636} H8 23 1 1 {} {0.165181890661 0.414762994508 0.213283910489} H9 24 1 1 {} {0.180305575173 0.583217559638 0.117135288345} H10 25 1 1 {} {0.110587063901 0.583024488589 0.307662960705} H11 26 1 1 {} {0.382756389327 0.557996174075 0.280121423334} H12 27 1 1 {} {0.365303441404 0.596780455887 0.430865100202} H13 28 1 1 {} {0.479629571673 0.422201858981 0.422649747715} H14 29 1 1 {} {0.457798661049 0.455549722785 0.273034920808} H15 30 1 1 {} {0.349360890436 0.371798852562 0.45398119866} H16 31 1 1 {} {0.420265738261 0.38667906664 0.53338231148} H17 32 1 1 {} {0.32012124113 0.475138224595 0.568719766243} H18 33 1 1 {} {0.367590417117 0.489007020904 0.623562147779} H19 34 1 1 {} {0.498749900444 0.567666103515 0.331366819267} H20 35 1 1 {} {0.475887337367 0.576280181653 0.426560398671} H21 36 1 6 {} {0.639621754461 0.640235555321 0.47685080921} C4 37 1 14 {} {0.601359032809 0.576762105096 0.430439721824} Si6 38 1 14 {} {0.636906162903 0.726651457723 0.432220812853} Si7 39 1 8 {} {0.59676710012 0.584578676642 0.320202869643} O5 40 1 8 {} {0.619417436892 0.501386718425 0.45323140504} O6 41 1 6 {} {0.547678996588 0.584906301332 0.484946650611} C5 42 1 6 {} {0.589259601969 0.777144753815 0.476884011321} C6 43 1 8 {} {0.632548500583 0.715833365329 0.321629383387} O7 44 1 8 {} {0.684426108351 0.768099931395 0.447839741603} O8 45 1 14 {} {0.629918714077 0.423369948241 0.425654693936} Si8 46 1 7 {} {0.584677840495 0.371503400819 0.44380107214} N4 47 1 14 {} {0.565327451522 0.321745311062 0.355205071942} Si9 48 1 14 {} {0.559862408478 0.368069948667 0.549684835982} Si10 49 1 7 {} {0.595185453067 0.386756077805 0.636705651283} N5 50 1 7 {} {0.600127345224 0.259257147508 0.317562725094} N6 51 1 1 {} {0.635015363827 0.641505416112 0.549862832553} H22 52 1 1 {} {0.673460125153 0.621415849846 0.464569052574} H23 53 1 1 {} {0.609618140041 0.626743075964 0.297794552263} H24 54 1 1 {} {0.543899255003 0.572890435661 0.555731088911} H25 55 1 1 {} {0.530053148204 0.543336642448 0.454562031328} H26 56 1 1 {} {0.529410082229 0.631280402023 0.468560477635} H27 57 1 1 {} {0.588472436966 0.827576208026 0.447492157346} H28 58 1 1 {} {0.591287490547 0.782661086582 0.549841750146} H29 59 1 1 {} {0.557163951934 0.753023804726 0.461727616517} H30 60 1 1 {} {0.640536009759 0.753298291437 0.283741047017} H31 61 1 1 {} {0.684789956054 0.803087985461 0.492431511981} H32 62 1 1 {} {0.641538281617 0.418593556391 0.328761823077} H33 63 1 1 {} {0.669202677988 0.403326228138 0.480366093614} H34 64 1 1 {} {0.523374463043 0.290274159186 0.388043745065} H35 65 1 1 {} {0.556926732395 0.365063529447 0.275743416371} H36 66 1 1 {} {0.52294985372 0.417463011807 0.557126020081} H37 67 1 1 {} {0.542779683285 0.29859074085 0.562004947024} H38 68 1 1 {} {0.601797468084 0.435534448364 0.652196547049} H39 69 1 1 {} {0.622397277378 0.357628513955 0.650399395205} H40 70 1 1 {} {0.624669075673 0.270577269259 0.273680244373} H41 71 1 1 {} {0.609598826022 0.221834886411 0.358888528718} 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