#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 {} {0.351114106162 0.555093908617 0.421889198973} C1 1 1 14 {} {0.332022861987 0.522068855136 0.532962098134} Si1 2 1 14 {} {0.406320338786 0.597203734221 0.417718250134} Si2 3 1 8 {} {0.335319660669 0.582346401369 0.608209539615} O1 4 1 8 {} {0.279166818559 0.500092335799 0.525000643818} O2 5 1 6 {} {0.363709194642 0.446107294799 0.56834539111} C2 6 1 6 {} {0.455426561488 0.539603774373 0.41142737135} C3 7 1 8 {} {0.407952070096 0.641624345573 0.512789336307} O3 8 1 8 {} {0.406669183682 0.648099662603 0.329917538782} O4 9 1 14 {} {0.226796703973 0.505663069186 0.555635840009} Si3 10 1 7 {} {0.207174688334 0.426992282581 0.587051222377} N1 11 1 14 {} {0.171131569521 0.422665194566 0.67888274137} Si4 12 1 14 {} {0.222771796595 0.356987888326 0.523066008602} Si5 13 1 7 {} {0.223992242971 0.369322853074 0.409494536383} N2 14 1 7 {} {0.123622784137 0.470963316027 0.671733426882} N3 15 1 1 {} {0.350657352215 0.514652120404 0.371859686507} H1 16 1 1 {} {0.326175306117 0.592246639773 0.399893080656} H2 17 1 1 {} {0.359097030435 0.614489133704 0.595155962592} H3 18 1 1 {} {0.360380826553 0.405115845712 0.519845206151} H4 19 1 1 {} {0.351028796566 0.428056541362 0.632845160986} H5 20 1 1 {} {0.399417779371 0.457092108478 0.576634467842} H6 21 1 1 {} {0.487199551641 0.56725137954 0.410657184483} H7 22 1 1 {} {0.45399227167 0.509012079414 0.350457337274} H8 23 1 1 {} {0.456383505648 0.505437730158 0.468865417447} H9 24 1 1 {} {0.433197473317 0.670932511262 0.523087778056} H10 25 1 1 {} {0.435011385276 0.656898751346 0.301139688593} H11 26 1 1 {} {0.221034110975 0.551355968745 0.633625797244} H12 27 1 1 {} {0.201298042397 0.532258027597 0.477911570287} H13 28 1 1 {} {0.158245389268 0.350933144289 0.687035914296} H14 29 1 1 {} {0.194171202232 0.44697678264 0.760802431112} H15 30 1 1 {} {0.268699978431 0.335283267749 0.548018262147} H16 31 1 1 {} {0.189640719974 0.303557876024 0.543393652839} H17 32 1 1 {} {0.250422273866 0.393341808321 0.38155995693} H18 33 1 1 {} {0.195518297667 0.380009343554 0.375498706902} H19 34 1 1 {} {0.123432359377 0.518554432291 0.695494211653} H20 35 1 1 {} {0.100954239717 0.465029330448 0.621952665802} H21 36 1 6 {} {0.590857564266 0.327587560119 0.309987225815} C4 37 1 14 {} {0.586071747109 0.361089439244 0.426956096716} Si6 38 1 14 {} {0.574905061859 0.238504142564 0.292045935545} Si7 39 1 8 {} {0.614703973252 0.31206709533 0.494984874255} O5 40 1 8 {} {0.608732576267 0.436193343034 0.431970626558} O6 41 1 6 {} {0.526829980044 0.3698538564 0.463598251668} C5 42 1 6 {} {0.514008106578 0.227883406269 0.268423277013} C6 43 1 8 {} {0.590182115602 0.199852365403 0.386337036103} O7 44 1 8 {} {0.604626773053 0.201513285315 0.21218431571} O8 45 1 14 {} {0.652465105914 0.481001582456 0.460693987878} Si8 46 1 7 {} {0.63692004639 0.562095701701 0.487457378673} N4 47 1 14 {} {0.64338421157 0.589750981207 0.598165361684} Si9 48 1 14 {} {0.613013376272 0.615776481261 0.408664045643} Si10 49 1 7 {} {0.624105559599 0.596661163259 0.298592841257} N5 50 1 7 {} {0.696183408534 0.609466485827 0.634187423878} N6 51 1 1 {} {0.57143804298 0.359345385081 0.26402614521} H22 52 1 1 {} {0.626184587683 0.332719111492 0.290386338933} H23 53 1 1 {} {0.613155493643 0.264937334706 0.477496293356} H24 54 1 1 {} {0.507703979932 0.402824459241 0.41902688244} H25 55 1 1 {} {0.525605964792 0.391321984211 0.53110623964} H26 56 1 1 {} {0.510036172264 0.320938090811 0.465964253753} H27 57 1 1 {} {0.504669482487 0.174774788714 0.263776101781} H28 58 1 1 {} {0.504768253362 0.252058958012 0.205061084732} H29 59 1 1 {} {0.493582438966 0.250801158155 0.321158335644} H30 60 1 1 {} {0.592853168733 0.151511896473 0.38408767619} H31 61 1 1 {} {0.591413235159 0.197483756233 0.153452395555} H32 62 1 1 {} {0.674461875962 0.452218986357 0.541266507632} H33 63 1 1 {} {0.684180019398 0.480607002123 0.383980564381} H34 64 1 1 {} {0.615920191999 0.651905689249 0.604786550637} H35 65 1 1 {} {0.627068119736 0.536732401045 0.659989756904} H36 66 1 1 {} {0.563345566538 0.614864410993 0.41636740646} H37 67 1 1 {} {0.630012704478 0.684543044537 0.426861772444} H38 68 1 1 {} {0.607782542076 0.557954066594 0.269070502344} H39 69 1 1 {} {0.655778616139 0.600032195088 0.27478667573} H40 70 1 1 {} {0.717573768579 0.572354012233 0.652195374655} H41 71 1 1 {} {0.713159663812 0.64858096326 0.60713349224} 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