#MD System 2.0 @Title neb0_image09 @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 {} {0.225167483404 0.524390919675 0.345115065926} C1 1 1 14 {} {0.277833416364 0.486531513683 0.304385814338} Si1 2 1 14 {} {0.179213149207 0.533828600822 0.264271857781} Si2 3 1 8 {} {0.292166797208 0.517498237951 0.206659312702} O1 4 1 8 {} {0.31544714613 0.513020686387 0.378461939639} O2 5 1 6 {} {0.27897638734 0.394418623043 0.297861925408} C2 6 1 6 {} {0.148650112507 0.453446470488 0.246189285924} C3 7 1 8 {} {0.2044126419 0.560821319809 0.171039139121} O3 8 1 8 {} {0.143387133001 0.594310252484 0.292123846413} O4 9 1 14 {} {0.367843299752 0.537045231951 0.380447424148} Si3 10 1 7 {} {0.39653405036 0.464448799161 0.403232977837} N1 11 1 14 {} {0.447688683277 0.4700932547 0.33551778127} Si4 12 1 14 {} {0.38242636027 0.413702336878 0.503303997453} Si5 13 1 7 {} {0.356917640862 0.459650680117 0.588484737461} N2 14 1 7 {} {0.441874024268 0.539921560369 0.31366059844} N3 15 1 1 {} {0.214597374362 0.496066004427 0.404319023294} H1 16 1 1 {} {0.23489520441 0.574755034871 0.368137082864} H2 17 1 1 {} {0.268803677081 0.541127521703 0.174747302435} H3 18 1 1 {} {0.273970562814 0.371114827096 0.363133325091} H4 19 1 1 {} {0.310858810038 0.376069852987 0.271315887772} H5 20 1 1 {} {0.252869342514 0.376384752858 0.252932095351} H6 21 1 1 {} {0.122079200715 0.459016018969 0.196069462693} H7 22 1 1 {} {0.133474887658 0.436233050237 0.309108749754} H8 23 1 1 {} {0.171401649695 0.413590468011 0.223433015363} H9 24 1 1 {} {0.186266290346 0.582967403254 0.127105908785} H10 25 1 1 {} {0.116055340014 0.580617223622 0.319812355934} H11 26 1 1 {} {0.378529617376 0.567261320613 0.275314831457} H12 27 1 1 {} {0.373075265035 0.588939940338 0.43795048118} H13 28 1 1 {} {0.478800111968 0.450023281634 0.391297103683} H14 29 1 1 {} {0.447162140368 0.422502027786 0.268212659802} H15 30 1 1 {} {0.351762310611 0.361046788707 0.475049893753} H16 31 1 1 {} {0.426042015424 0.387134560249 0.539107986326} H17 32 1 1 {} {0.324041882185 0.473052951609 0.579543278481} H18 33 1 1 {} {0.375759476511 0.486253862404 0.632739083532} H19 34 1 1 {} {0.459500203016 0.566837970295 0.304752869506} H20 35 1 1 {} {0.400728599644 0.589883783762 0.330471766345} H21 36 1 6 {} {0.652602946383 0.656901501825 0.469393138789} C4 37 1 14 {} {0.612343868113 0.579213194302 0.445347049366} Si6 38 1 14 {} {0.635490865182 0.736951290129 0.419008737992} Si7 39 1 8 {} {0.588165688181 0.59235923741 0.348560992356} O5 40 1 8 {} {0.628901634981 0.499651370274 0.437732949634} O6 41 1 6 {} {0.56746464816 0.580484080765 0.531764161016} C5 42 1 6 {} {0.586267121075 0.774748028076 0.466610565662} C6 43 1 8 {} {0.630846111399 0.71730730497 0.311595583259} O7 44 1 8 {} {0.678125920111 0.781070879432 0.431812841558} O8 45 1 14 {} {0.628110938132 0.41995206324 0.416259419797} Si8 46 1 7 {} {0.57855887045 0.375041236167 0.43422553688} N4 47 1 14 {} {0.559906522375 0.324788056745 0.347446250441} Si9 48 1 14 {} {0.556164610702 0.369390264407 0.542761456721} Si10 49 1 7 {} {0.592532615682 0.385402249595 0.628555562405} N5 50 1 7 {} {0.593535600985 0.261653566569 0.30819403186} N6 51 1 1 {} {0.646672787925 0.650042315487 0.542271653955} H22 52 1 1 {} {0.687379910823 0.638830454366 0.458872555872} H23 53 1 1 {} {0.595844283108 0.622973900082 0.306040350603} H24 54 1 1 {} {0.571841150888 0.597517902332 0.580177230437} H25 55 1 1 {} {0.568045601173 0.539769179501 0.539241343673} H26 56 1 1 {} {0.544069682828 0.600670663148 0.511088736914} H27 57 1 1 {} {0.585092658887 0.823863706304 0.436087333305} H28 58 1 1 {} {0.58646993312 0.78202669477 0.538738597662} H29 59 1 1 {} {0.55530117139 0.749761542624 0.44983665636} H30 60 1 1 {} {0.633753171563 0.754883271466 0.272712637142} H31 61 1 1 {} {0.680645269596 0.812352009548 0.48186213909} H32 62 1 1 {} {0.635768196133 0.416950435003 0.318128155999} H33 63 1 1 {} {0.665737716153 0.395380316515 0.469045442359} H34 64 1 1 {} {0.518600034987 0.292527449153 0.379312742846} H35 65 1 1 {} {0.550606418918 0.366871445309 0.266984131862} H36 66 1 1 {} {0.519814882426 0.417373696006 0.556477821988} H37 67 1 1 {} {0.537979367051 0.299623753072 0.551245067783} H38 68 1 1 {} {0.596360561721 0.434388386116 0.645834655055} H39 69 1 1 {} {0.619425300607 0.358685702579 0.642259818598} H40 70 1 1 {} {0.617715360751 0.27182434298 0.262610284484} H41 71 1 1 {} {0.602324166637 0.222064500103 0.346402504635} 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