#MD System 2.0 @Title neb0_image03 @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 {} {0.207699079544 0.528240541161 0.314020244881} C1 1 1 14 {} {0.261607879604 0.491239328092 0.272265430611} Si1 2 1 14 {} {0.161011587158 0.536698134724 0.23302086443} Si2 3 1 8 {} {0.274153718859 0.524187743685 0.174376755408} O1 4 1 8 {} {0.301661462243 0.511512121142 0.34308964755} O2 5 1 6 {} {0.259637883029 0.398072296906 0.265249355376} C2 6 1 6 {} {0.129445005507 0.457014777781 0.215289783927} C3 7 1 8 {} {0.185538152387 0.56254704408 0.138750746152} O3 8 1 8 {} {0.125700144665 0.597834443558 0.260083485008} O4 9 1 14 {} {0.353093971785 0.540453802094 0.348363924224} Si3 10 1 7 {} {0.387809362359 0.477550889866 0.389993991544} N1 11 1 14 {} {0.442161347344 0.475838745044 0.34885511499} Si4 12 1 14 {} {0.367452226533 0.423328450225 0.472722400874} Si5 13 1 7 {} {0.338302940929 0.461111390306 0.558139714262} N2 14 1 7 {} {0.463951623425 0.555663853431 0.354739531768} N3 15 1 1 {} {0.196084394778 0.499618436368 0.372496064228} H1 16 1 1 {} {0.215561738112 0.579081323701 0.33815226254} H2 17 1 1 {} {0.248697948947 0.544483034882 0.143610514179} H3 18 1 1 {} {0.254482315197 0.375029747687 0.331036785354} H4 19 1 1 {} {0.29134743322 0.379007131741 0.238502742983} H5 20 1 1 {} {0.23286562822 0.380978917017 0.220538211198} H6 21 1 1 {} {0.102934707622 0.463248733017 0.165228140728} H7 22 1 1 {} {0.113900302668 0.439300159704 0.277483716601} H8 23 1 1 {} {0.151846215761 0.417199597589 0.191692063861} H9 24 1 1 {} {0.166994779795 0.585653457634 0.0956202576552} H10 25 1 1 {} {0.0972939029777 0.585482261628 0.286057901885} H11 26 1 1 {} {0.369483413193 0.560462187901 0.258546366824} H12 27 1 1 {} {0.351950646704 0.599324638068 0.409406115113} H13 28 1 1 {} {0.46626291177 0.423638802868 0.40153770821} H14 29 1 1 {} {0.444343797964 0.458527871227 0.25211778504} H15 30 1 1 {} {0.335987105508 0.374191615441 0.43242198756} H16 31 1 1 {} {0.406920327237 0.389067376918 0.511961011181} H17 32 1 1 {} {0.306689773739 0.477620444278 0.5471640192} H18 33 1 1 {} {0.354278518551 0.491556020436 0.602081826346} H19 34 1 1 {} {0.487093508793 0.570570614774 0.309259272908} H20 35 1 1 {} {0.469755405992 0.577891366113 0.414643523028} H21 36 1 6 {} {0.652540555838 0.637645452122 0.498618599779} C4 37 1 14 {} {0.613104500798 0.573784827692 0.450771107555} Si6 38 1 14 {} {0.650155542467 0.724234000418 0.4537404997} Si7 39 1 8 {} {0.610580366687 0.582096708997 0.34110246559} O5 40 1 8 {} {0.632822666574 0.499089571026 0.475006651049} O6 41 1 6 {} {0.55611919889 0.579945577693 0.500227705305} C5 42 1 6 {} {0.602578523027 0.774708291283 0.498506091704} C6 43 1 8 {} {0.64600987383 0.713447244366 0.343261064849} O7 44 1 8 {} {0.697775860754 0.765637257214 0.469434776247} O8 45 1 14 {} {0.643361521946 0.421184341576 0.447234409539} Si8 46 1 7 {} {0.597994328525 0.368881260763 0.465055922448} N4 47 1 14 {} {0.578427137728 0.319822071616 0.376799554029} Si9 48 1 14 {} {0.573341980417 0.365629114207 0.571950977666} Si10 49 1 7 {} {0.608451516444 0.384369922226 0.658480979385} N5 50 1 7 {} {0.613425283284 0.256983551793 0.339320961381} N6 51 1 1 {} {0.648391422021 0.639126824997 0.571698298707} H22 52 1 1 {} {0.686607629785 0.618900587544 0.486158123614} H23 53 1 1 {} {0.623023170888 0.62436808346 0.319217427204} H24 54 1 1 {} {0.556132113007 0.570055154312 0.572394698171} H25 55 1 1 {} {0.534268084316 0.542783517456 0.468359847662} H26 56 1 1 {} {0.541555040937 0.629791817529 0.489065966882} H27 57 1 1 {} {0.601798603801 0.825124329863 0.46908074546} H28 58 1 1 {} {0.604609348727 0.780243327371 0.571455767506} H29 59 1 1 {} {0.570507368495 0.750574152608 0.483328572366} H30 60 1 1 {} {0.653884748573 0.750885971171 0.305275829135} H31 61 1 1 {} {0.698103506812 0.800690785931 0.514077455908} H32 62 1 1 {} {0.654845727599 0.416097918012 0.350386885399} H33 63 1 1 {} {0.682516218166 0.400792243005 0.501933959859} H34 64 1 1 {} {0.536647419717 0.28778465664 0.409581631984} H35 65 1 1 {} {0.570253545342 0.362584732403 0.297195155853} H36 66 1 1 {} {0.536071810385 0.414998574891 0.578051775712} H37 67 1 1 {} {0.556144344292 0.296118450917 0.583462175127} H38 68 1 1 {} {0.615093073477 0.432990785699 0.673580815055} H39 69 1 1 {} {0.63556653305 0.35533289598 0.671839590041} H40 70 1 1 {} {0.638024153343 0.268126644935 0.295083217316} H41 71 1 1 {} {0.622943982339 0.219244971505 0.380549140863} 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