#MD System 2.0 @Title neb0_image03 @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 {} {0.208300656007 0.528123015035 0.313673649837} C1 1 1 14 {} {0.261743804083 0.490292452901 0.271885521354} Si1 2 1 14 {} {0.161435581736 0.536618402351 0.233153114845} Si2 3 1 8 {} {0.27392242186 0.520970800127 0.172506086938} O1 4 1 8 {} {0.302007262294 0.511865646427 0.342175608133} O2 5 1 6 {} {0.259519442566 0.397205596761 0.266464011538} C2 6 1 6 {} {0.129532447486 0.4572496169 0.215264828073} C3 7 1 8 {} {0.185686799475 0.562913006289 0.138827351566} O3 8 1 8 {} {0.126307948178 0.597510697274 0.261924508074} O4 9 1 14 {} {0.353173356405 0.540819717655 0.348891943481} Si3 10 1 7 {} {0.387728330306 0.477479862366 0.390279656113} N1 11 1 14 {} {0.441473407728 0.474965206576 0.346269358861} Si4 12 1 14 {} {0.367587631178 0.42291678964 0.473034956082} Si5 13 1 7 {} {0.338205957407 0.460559334543 0.558335013081} N2 14 1 7 {} {0.461778067595 0.555844720067 0.348989326727} N3 15 1 1 {} {0.196573475431 0.500044917402 0.372550159948} H1 16 1 1 {} {0.21618422842 0.579075989788 0.337240976662} H2 17 1 1 {} {0.248947042996 0.543696669047 0.143274419583} H3 18 1 1 {} {0.254039603345 0.373988435963 0.331985405243} H4 19 1 1 {} {0.291090085624 0.377816384628 0.239595394094} H5 20 1 1 {} {0.232689288494 0.380799483275 0.221332850457} H6 21 1 1 {} {0.103132472134 0.464007575269 0.16501634485} H7 22 1 1 {} {0.113687545108 0.440021045457 0.277414315086} H8 23 1 1 {} {0.151495366048 0.416836900997 0.1918707014} H9 24 1 1 {} {0.16693454322 0.586079404375 0.0960980506618} H10 25 1 1 {} {0.0977661593075 0.584552627622 0.286704764124} H11 26 1 1 {} {0.37005038838 0.561570968905 0.259681178157} H12 27 1 1 {} {0.351851486218 0.59907458639 0.410882023491} H13 28 1 1 {} {0.46648816321 0.423914469252 0.399462508585} H14 29 1 1 {} {0.443201433065 0.455334956731 0.250308961751} H15 30 1 1 {} {0.336290889023 0.373901571645 0.432523107892} H16 31 1 1 {} {0.407101789569 0.388863533076 0.511880103848} H17 32 1 1 {} {0.306602731821 0.47680275355 0.546533404668} H18 33 1 1 {} {0.353819176736 0.491761013745 0.601729247116} H19 34 1 1 {} {0.487211394755 0.568808449071 0.307436995201} H20 35 1 1 {} {0.465347852769 0.578998585411 0.409060353834} H21 36 1 6 {} {0.653750197916 0.63875106408 0.498352056239} C4 37 1 14 {} {0.614070607202 0.574383893611 0.452670519539} Si6 38 1 14 {} {0.650674885503 0.725127229884 0.453150319866} Si7 39 1 8 {} {0.608653215747 0.583098294465 0.343200756978} O5 40 1 8 {} {0.634168625872 0.499893967076 0.475132707186} O6 41 1 6 {} {0.557678332181 0.579848389332 0.504797723689} C5 42 1 6 {} {0.60261965054 0.775113693609 0.497459503857} C6 43 1 8 {} {0.647302753768 0.713332537017 0.342712064349} O7 44 1 8 {} {0.697862092182 0.767377908058 0.469388787644} O8 45 1 14 {} {0.643600366349 0.421655476439 0.448130211496} Si8 46 1 7 {} {0.59781797172 0.36919964413 0.464204958303} N4 47 1 14 {} {0.57803602244 0.320715156268 0.377169383298} Si9 48 1 14 {} {0.573442051356 0.365509103149 0.573039817604} Si10 49 1 7 {} {0.608165347461 0.384708549354 0.656907221961} N5 50 1 7 {} {0.61238357614 0.256906304866 0.33776618331} N6 51 1 1 {} {0.649379370947 0.639980847697 0.571374118951} H22 52 1 1 {} {0.688030819218 0.620749746072 0.485929598492} H23 53 1 1 {} {0.622256246323 0.623951246773 0.319282158653} H24 54 1 1 {} {0.558172846314 0.572162800812 0.577495766127} H25 55 1 1 {} {0.536957385443 0.540336743416 0.475001161637} H26 56 1 1 {} {0.541910168606 0.628257481469 0.49090294683} H27 57 1 1 {} {0.601599938955 0.825610336933 0.468314089011} H28 58 1 1 {} {0.604860960615 0.780732605898 0.570377109846} H29 59 1 1 {} {0.570512600508 0.750903823124 0.482937026323} H30 60 1 1 {} {0.654103305935 0.750988607788 0.304303553546} H31 61 1 1 {} {0.697916766522 0.802105015648 0.514568967059} H32 62 1 1 {} {0.654637690491 0.416245352397 0.35068655239} H33 63 1 1 {} {0.68257198304 0.400908287595 0.502429081594} H34 64 1 1 {} {0.536312425899 0.289060499745 0.410435455956} H35 65 1 1 {} {0.569884440011 0.363689916834 0.297491841813} H36 66 1 1 {} {0.5350863962 0.413571478454 0.579383603228} H37 67 1 1 {} {0.556416107958 0.295228054328 0.583769959806} H38 68 1 1 {} {0.614227286708 0.433340282208 0.673605865976} H39 69 1 1 {} {0.635341623919 0.3557688759 0.672012101133} H40 70 1 1 {} {0.636818623496 0.268275506838 0.293393453739} H41 71 1 1 {} {0.621547125855 0.218528745882 0.377775249922} 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