#MD System 2.0 @Title neb0_image01 @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 {} {0.202513445579 0.529198726431 0.305642686892} C1 1 1 14 {} {0.25643632922 0.492188886569 0.2638220922} Si1 2 1 14 {} {0.155815612063 0.537666499638 0.224667388027} Si2 3 1 8 {} {0.269030384752 0.525313511005 0.166029153362} O1 4 1 8 {} {0.296441434655 0.512393726738 0.334732325593} O2 5 1 6 {} {0.254474472837 0.399005550581 0.256831626334} C2 6 1 6 {} {0.124266688417 0.457968234705 0.20692000777} C3 7 1 8 {} {0.180314592687 0.563436695912 0.130343186234} O3 8 1 8 {} {0.120487584199 0.598811343018 0.251655570431} O4 9 1 14 {} {0.347909031597 0.54136884789 0.339885723759} Si3 10 1 7 {} {0.382667153834 0.478514065767 0.381563720529} N1 11 1 14 {} {0.437098277919 0.476932539718 0.34071200482} Si4 12 1 14 {} {0.362280538265 0.424295399129 0.46430052412} Si5 13 1 7 {} {0.333129674965 0.462073638162 0.549714649059} N2 14 1 7 {} {0.459091435655 0.556646289221 0.346911313769} N3 15 1 1 {} {0.190890357288 0.500580081798 0.364114533677} H1 16 1 1 {} {0.210357880822 0.580039217086 0.329799737569} H2 17 1 1 {} {0.24350846402 0.545429830566 0.135263954001} H3 18 1 1 {} {0.249317471955 0.376009673875 0.322667980145} H4 19 1 1 {} {0.286193601963 0.379974013479 0.230068616147} H5 20 1 1 {} {0.227694868811 0.38192068991 0.21213773727} H6 21 1 1 {} {0.0977511926578 0.464172178291 0.156866383575} H7 22 1 1 {} {0.108731564333 0.440239688358 0.269108377501} H8 23 1 1 {} {0.146668698832 0.418156474166 0.183307889398} H9 24 1 1 {} {0.161821441659 0.586607672227 0.0871935058753} H10 25 1 1 {} {0.0920940787829 0.586438082989 0.27767650924} H11 26 1 1 {} {0.364306193545 0.561400043643 0.250002647856} H12 27 1 1 {} {0.346765821293 0.600245799414 0.400953071929} H13 28 1 1 {} {0.461087905525 0.424472442177 0.393261111453} H14 29 1 1 {} {0.43918960575 0.459605553931 0.243914871589} H15 30 1 1 {} {0.330797762657 0.375136803391 0.424040199425} H16 31 1 1 {} {0.401743050175 0.390029833593 0.503603859981} H17 32 1 1 {} {0.301511068734 0.478555366586 0.538773000752} H18 33 1 1 {} {0.349119867963 0.492492314039 0.593711654503} H19 34 1 1 {} {0.481934055136 0.571589529545 0.300874556211} H20 35 1 1 {} {0.464934755346 0.578829555673 0.406828957093} H21 36 1 6 {} {0.657679437496 0.63666869056 0.507018618807} C4 37 1 14 {} {0.61819512192 0.572807187394 0.459131828625} Si6 38 1 14 {} {0.655306733178 0.723294462814 0.462126682091} Si7 39 1 8 {} {0.615954681856 0.58106203363 0.349477467895} O5 40 1 8 {} {0.63794401055 0.498074679578 0.483450984598} O6 41 1 6 {} {0.56107713711 0.578924525837 0.508200575196} C5 42 1 6 {} {0.607737850165 0.773758947827 0.506883172373} C6 43 1 8 {} {0.651138169478 0.712496245144 0.351653108572} O7 44 1 8 {} {0.702912547971 0.764726554173 0.47779193877} O8 45 1 14 {} {0.648527765597 0.420206749302 0.455533886161} Si8 46 1 7 {} {0.603172913816 0.368016953848 0.473604446437} N4 47 1 14 {} {0.583606448894 0.318816445352 0.38509841545} Si9 48 1 14 {} {0.578502507961 0.364654670192 0.58011789937} Si10 49 1 7 {} {0.613685154796 0.38342794592 0.667074521964} N5 50 1 7 {} {0.618635725965 0.256107845894 0.347810721783} N6 51 1 1 {} {0.653569515059 0.638194851192 0.580101100575} H22 52 1 1 {} {0.691752235729 0.617908511703 0.494550845163} H23 53 1 1 {} {0.628221849909 0.623437911833 0.327616938135} H24 54 1 1 {} {0.561206066676 0.568995990248 0.580360477279} H25 55 1 1 {} {0.538994546755 0.541981009251 0.476418819605} H26 56 1 1 {} {0.5466321504 0.628879739918 0.497332893472} H27 57 1 1 {} {0.606984393101 0.824184717738 0.477493504764} H28 58 1 1 {} {0.609802819973 0.779272805619 0.579824588832} H29 59 1 1 {} {0.575672447343 0.74959781014 0.491711547166} H30 60 1 1 {} {0.659081959707 0.749936337049 0.313712113073} H31 61 1 1 {} {0.70328254496 0.799720354864 0.522481273902} H32 62 1 1 {} {0.660046853157 0.415121400017 0.358780920989} H33 63 1 1 {} {0.687702545976 0.399779148101 0.510331815631} H34 64 1 1 {} {0.541825883895 0.286804546556 0.417964625551} H35 65 1 1 {} {0.575447026844 0.361639601897 0.3055144125} H36 66 1 1 {} {0.541283536609 0.414015657362 0.586310469254} H37 67 1 1 {} {0.56131928349 0.295216496858 0.591784404041} H38 68 1 1 {} {0.620274662511 0.432028411703 0.681955894278} H39 69 1 1 {} {0.640720629379 0.354360286053 0.680176011622} H40 70 1 1 {} {0.643235156727 0.267154393232 0.303512121483} H41 71 1 1 {} {0.628169180454 0.218290244863 0.388997956043} 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