#MD System 2.0 @Title neb0_image07 @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 {} {0.218224019651 0.526317056795 0.331137583051} C1 1 1 14 {} {0.272176644188 0.489352224092 0.289389342554} Si1 2 1 14 {} {0.171552041754 0.534802459541 0.250128345244} Si2 3 1 8 {} {0.284753928832 0.522340469457 0.191508199651} O1 4 1 8 {} {0.312151037564 0.50970162581 0.360240431404} O2 5 1 6 {} {0.270223029183 0.396158609706 0.282309172391} C2 6 1 6 {} {0.140018623426 0.455079999065 0.232417194212} C3 7 1 8 {} {0.196055754196 0.560726413775 0.155898810619} O3 8 1 8 {} {0.136207026685 0.59584572886 0.277145769382} O4 9 1 14 {} {0.363639142895 0.538533469762 0.365293156405} Si3 10 1 7 {} {0.398020854479 0.475411264256 0.407271216379} N1 11 1 14 {} {0.451579573713 0.472984102918 0.364380977566} Si4 12 1 14 {} {0.377878687194 0.42140012021 0.490155285397} Si5 13 1 7 {} {0.348831649718 0.459172209099 0.575331944518} N2 14 1 7 {} {0.470723475301 0.554504648722 0.366269736653} N3 15 1 1 {} {0.206643724661 0.497681336388 0.389610835461} H1 16 1 1 {} {0.226108117315 0.577132474399 0.355305502275} H2 17 1 1 {} {0.25925715445 0.542518220312 0.160758078863} H3 18 1 1 {} {0.26506538271 0.373135820085 0.348115624972} H4 19 1 1 {} {0.301936617663 0.377081546023 0.255569172015} H5 20 1 1 {} {0.243447367758 0.379035425961 0.23763108267} H6 21 1 1 {} {0.113502646154 0.461273607369 0.182357469367} H7 22 1 1 {} {0.124476833791 0.437336128345 0.294606852112} H8 23 1 1 {} {0.162424576895 0.415268202483 0.208803618489} H9 24 1 1 {} {0.177540262058 0.583731567887 0.11265143294} H10 25 1 1 {} {0.107818333032 0.583525115046 0.303184658739} H11 26 1 1 {} {0.380002115883 0.558487759765 0.275558411935} H12 27 1 1 {} {0.362539140867 0.597296187742 0.426400610846} H13 28 1 1 {} {0.476852826321 0.422366865387 0.418350155766} H14 29 1 1 {} {0.45494279106 0.456055337185 0.268542852817} H15 30 1 1 {} {0.346554298058 0.372260621265 0.449540447448} H16 31 1 1 {} {0.417481651547 0.387174784564 0.528976717221} H17 32 1 1 {} {0.317258335345 0.475689974217 0.564247393426} H18 33 1 1 {} {0.364853749267 0.489591020563 0.619191669524} H19 34 1 1 {} {0.496822137494 0.568263873186 0.326362682015} H20 35 1 1 {} {0.476264849565 0.57638791568 0.426439210796} H21 36 1 6 {} {0.642336418909 0.639706149122 0.481428546091} C4 37 1 14 {} {0.603488648043 0.576086573106 0.43436521458} Si6 38 1 14 {} {0.639620939771 0.72618360797 0.436657273664} Si7 39 1 8 {} {0.599712836141 0.584117832238 0.324504200882} O5 40 1 8 {} {0.622240180405 0.500917463795 0.457843294393} O6 41 1 6 {} {0.548065632473 0.583096989299 0.486895968346} C5 42 1 6 {} {0.59202038085 0.776622215855 0.48142112106} C6 43 1 8 {} {0.635245480691 0.715365033819 0.326167105838} O7 44 1 8 {} {0.687173758162 0.767581936376 0.452315507315} O8 45 1 14 {} {0.632746412984 0.422980174152 0.430074808131} Si8 46 1 7 {} {0.587456916787 0.370881760795 0.448158952425} N4 47 1 14 {} {0.568016906731 0.321464123003 0.359639711984} Si9 48 1 14 {} {0.562675053117 0.367557003082 0.55439649234} Si10 49 1 7 {} {0.598059622405 0.386309250682 0.641249833344} N5 50 1 7 {} {0.602865750425 0.25882774351 0.322107201524} N6 51 1 1 {} {0.637816632645 0.64101577938 0.554421665291} H22 52 1 1 {} {0.676258144306 0.620897843199 0.469078930639} H23 53 1 1 {} {0.612397953902 0.626209693339 0.302253745215} H24 54 1 1 {} {0.546437507368 0.572423777389 0.558280861036} H25 55 1 1 {} {0.528553836981 0.543565431615 0.455475189246} H26 56 1 1 {} {0.531686387793 0.631236723219 0.472667244247} H27 57 1 1 {} {0.591253837548 0.827046455338 0.451989767703} H28 58 1 1 {} {0.594058426759 0.782159814716 0.554365082925} H29 59 1 1 {} {0.559937809087 0.752510437255 0.466216353922} H30 60 1 1 {} {0.643304403696 0.752775157813 0.288244365241} H31 61 1 1 {} {0.687555847869 0.802600589494 0.496948679946} H32 62 1 1 {} {0.644300513871 0.418062158084 0.333282972384} H33 63 1 1 {} {0.671965867565 0.402787482761 0.484835590655} H34 64 1 1 {} {0.52616647715 0.289731725335 0.392515261958} H35 65 1 1 {} {0.559724106578 0.364517059668 0.280208172529} H36 66 1 1 {} {0.525615720903 0.417003549173 0.561336665358} H37 67 1 1 {} {0.545565124502 0.298087298366 0.566455585945} H38 68 1 1 {} {0.604540134493 0.434893382162 0.656616580708} H39 69 1 1 {} {0.625056031428 0.357211495555 0.654795712926} H40 70 1 1 {} {0.62750817129 0.270062073248 0.278039950086} H41 71 1 1 {} {0.612421581616 0.221182972085 0.363472874351} 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