#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 {} {0.205458186716 0.529000947762 0.309391989632} C1 1 1 14 {} {0.259127313145 0.491293247806 0.268059850505} Si1 2 1 14 {} {0.158410385933 0.537078444999 0.229111645194} Si2 3 1 8 {} {0.27162765446 0.522762232258 0.169274347028} O1 4 1 8 {} {0.299484222164 0.512168896569 0.338578962847} O2 5 1 6 {} {0.25694874122 0.398201975735 0.262064022122} C2 6 1 6 {} {0.126700648784 0.457483868502 0.211540408513} C3 7 1 8 {} {0.182367350338 0.562796320409 0.134226698231} O3 8 1 8 {} {0.123247526249 0.598035457764 0.257783691167} O4 9 1 14 {} {0.350690715112 0.541217780357 0.344762333521} Si3 10 1 7 {} {0.385601740332 0.478475688287 0.386431209627} N1 11 1 14 {} {0.439650065595 0.475796520101 0.343915981686} Si4 12 1 14 {} {0.365384599972 0.423882790141 0.46896589814} Si5 13 1 7 {} {0.335720114309 0.461094276087 0.554096090153} N2 14 1 7 {} {0.461841946448 0.555382292031 0.349118232573} N3 15 1 1 {} {0.193774513005 0.500938129814 0.368292369398} H1 16 1 1 {} {0.213298701283 0.579983168855 0.332989511647} H2 17 1 1 {} {0.246520567828 0.54439414079 0.139130554601} H3 18 1 1 {} {0.251499532777 0.374841824744 0.327550826535} H4 19 1 1 {} {0.288584390824 0.378959428841 0.235348051218} H5 20 1 1 {} {0.230195636138 0.381641334733 0.216915875802} H6 21 1 1 {} {0.100397123633 0.464130079639 0.161099443345} H7 22 1 1 {} {0.110841163211 0.439878345011 0.273451371228} H8 23 1 1 {} {0.148964009678 0.417489202482 0.188013343565} H9 24 1 1 {} {0.163681363905 0.586401410196 0.0918151270349} H10 25 1 1 {} {0.0947744123559 0.585236801297 0.283081320946} H11 26 1 1 {} {0.367411409959 0.561747300472 0.255309389558} H12 27 1 1 {} {0.349353185218 0.599887462055 0.406116742594} H13 28 1 1 {} {0.463661546699 0.423170072159 0.396129338004} H14 29 1 1 {} {0.441401092642 0.457858328148 0.247338803425} H15 30 1 1 {} {0.334188772171 0.37469124855 0.428034137139} H16 31 1 1 {} {0.40491539419 0.389780930859 0.50795737256} H17 32 1 1 {} {0.304062102077 0.476946527549 0.541995291432} H18 33 1 1 {} {0.351078028715 0.492454897594 0.597810710347} H19 34 1 1 {} {0.485284044022 0.570061599816 0.30426050987} H20 35 1 1 {} {0.466527872642 0.578469973135 0.408797516105} H21 36 1 6 {} {0.655421330211 0.637862548085 0.502564068125} C4 37 1 14 {} {0.615791710232 0.573451738673 0.456398156591} Si6 38 1 14 {} {0.65248848526 0.724404223174 0.457573534252} Si7 39 1 8 {} {0.611693505024 0.582047939903 0.346812318908} O5 40 1 8 {} {0.636049600966 0.499027852597 0.479401615394} O6 41 1 6 {} {0.558918259812 0.579256417411 0.506745331234} C5 42 1 6 {} {0.60491124503 0.774801412446 0.502605974005} C6 43 1 8 {} {0.648117115997 0.713126329026 0.347138897777} O7 44 1 8 {} {0.699905508691 0.76649950494 0.472044569407} O8 45 1 14 {} {0.646338416063 0.421064271888 0.451770001994} Si8 46 1 7 {} {0.600914327787 0.368360506278 0.468641259286} N4 47 1 14 {} {0.580987176118 0.319927959221 0.380389323355} Si9 48 1 14 {} {0.576431353253 0.364554874266 0.575994492131} Si10 49 1 7 {} {0.611207308144 0.384086143625 0.660996146339} N5 50 1 7 {} {0.615189629875 0.256171635717 0.341417947349} N6 51 1 1 {} {0.651631803799 0.639113887266 0.57568672726} H22 52 1 1 {} {0.689601772582 0.619719944839 0.489267492942} H23 53 1 1 {} {0.624880358607 0.623514375854 0.32378630479} H24 54 1 1 {} {0.558777113832 0.570575923562 0.579214923074} H25 55 1 1 {} {0.537519209844 0.541167765118 0.475590800377} H26 56 1 1 {} {0.543976622105 0.628533223477 0.493904758348} H27 57 1 1 {} {0.604199802361 0.825173310995 0.473032485653} H28 58 1 1 {} {0.60712307769 0.780574426594 0.575493771451} H29 59 1 1 {} {0.572759996859 0.75076811491 0.487894005731} H30 60 1 1 {} {0.656590707976 0.750166649122 0.308896310726} H31 61 1 1 {} {0.700448142211 0.800753771978 0.517717320064} H32 62 1 1 {} {0.657642235201 0.415880653452 0.354841980128} H33 63 1 1 {} {0.685437002455 0.400647093652 0.506450518234} H34 64 1 1 {} {0.539178921833 0.288642342929 0.413820591246} H35 65 1 1 {} {0.573095313708 0.363121968873 0.300967907967} H36 66 1 1 {} {0.538358629956 0.412641235996 0.582642651345} H37 67 1 1 {} {0.559629946585 0.294524104051 0.587417072958} H38 68 1 1 {} {0.617161523165 0.433043407845 0.677839438383} H39 69 1 1 {} {0.63848453069 0.355227188895 0.676671852374} H40 70 1 1 {} {0.639797873305 0.267256836957 0.297520203252} H41 71 1 1 {} {0.6243423104 0.217980382146 0.381898633059} 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