#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 {} {0.205391281055 0.528917866942 0.309598197733} C1 1 1 14 {} {0.259070699917 0.491358064314 0.2680306207} Si1 2 1 14 {} {0.158423625955 0.53713004673 0.229120082668} Si2 3 1 8 {} {0.271672309926 0.523335128426 0.169529214922} O1 4 1 8 {} {0.299265419098 0.512064339645 0.338656914139} O2 5 1 6 {} {0.256978466982 0.398222312984 0.261795572813} C2 6 1 6 {} {0.126739360957 0.457492649025 0.211421050577} C3 7 1 8 {} {0.182492813314 0.562923997794 0.134305561567} O3 8 1 8 {} {0.123178507105 0.598101337262 0.257275959795} O4 9 1 14 {} {0.350647976221 0.541219584797 0.344607455837} Si3 10 1 7 {} {0.385535187702 0.478258357034 0.386250732379} N1 11 1 14 {} {0.439678968452 0.475967735032 0.34406963191} Si4 12 1 14 {} {0.365249894245 0.423777868852 0.469057103703} Si5 13 1 7 {} {0.335755348171 0.461274740517 0.554010477771} N2 14 1 7 {} {0.461836257931 0.555638181173 0.349506803967} N3 15 1 1 {} {0.193714374045 0.500689270616 0.368347936949} H1 16 1 1 {} {0.213217667409 0.579916445427 0.333191444426} H2 17 1 1 {} {0.246386751988 0.54449047289 0.139191554504} H3 18 1 1 {} {0.251606480919 0.375075280181 0.327405434126} H4 19 1 1 {} {0.288638005932 0.379066087057 0.235093841955} H5 20 1 1 {} {0.23022930375 0.381583354339 0.216790360054} H6 21 1 1 {} {0.100361280557 0.464004307004 0.161068662441} H7 22 1 1 {} {0.110966917309 0.439853389322 0.273435482276} H8 23 1 1 {} {0.14905215114 0.417518963364 0.187892615824} H9 24 1 1 {} {0.163886902851 0.586302492838 0.0917491690724} H10 25 1 1 {} {0.0947652206523 0.585433087468 0.282764215559} H11 26 1 1 {} {0.367312148073 0.561574032223 0.254879011277} H12 27 1 1 {} {0.349343104693 0.599882761801 0.405950892389} H13 28 1 1 {} {0.463688024902 0.423353175476 0.396528580909} H14 29 1 1 {} {0.44146166559 0.458152154525 0.247441395204} H15 30 1 1 {} {0.333988208545 0.374664501001 0.428095920526} H16 31 1 1 {} {0.40473217174 0.389795573215 0.507892825327} H17 32 1 1 {} {0.304029997012 0.477219466629 0.542249727566} H18 33 1 1 {} {0.351251943123 0.492276008343 0.597755770812} H19 34 1 1 {} {0.4851136927 0.570263105693 0.304372929095} H20 35 1 1 {} {0.466769452497 0.578498769246 0.409504721346} H21 36 1 6 {} {0.655368841343 0.637819826444 0.502664602161} C4 37 1 14 {} {0.615739629549 0.573381209771 0.456032065} Si6 38 1 14 {} {0.65252551357 0.72426734976 0.457678277092} Si7 39 1 8 {} {0.612107669484 0.581902856217 0.346335117333} O5 40 1 8 {} {0.63583723799 0.498873897027 0.479370642124} O6 41 1 6 {} {0.55880540799 0.579260246987 0.506095229389} C5 42 1 6 {} {0.604986553909 0.77465247652 0.502615565117} C6 43 1 8 {} {0.648187416389 0.713124375851 0.347157546842} O7 44 1 8 {} {0.699971564959 0.766034372461 0.472360456793} O8 45 1 14 {} {0.646183364717 0.420994813961 0.451818374513} Si8 46 1 7 {} {0.600786324711 0.368294621031 0.468631096271} N4 47 1 14 {} {0.581141881247 0.319746930238 0.380844615763} Si9 48 1 14 {} {0.576213971944 0.364758030373 0.575945506348} Si10 49 1 7 {} {0.611481053636 0.384320392171 0.662004339618} N5 50 1 7 {} {0.615263055904 0.256349354344 0.342198786853} N6 51 1 1 {} {0.651510814749 0.639041635526 0.575767972146} H22 52 1 1 {} {0.689463492248 0.619325216668 0.489554946174} H23 53 1 1 {} {0.625042583014 0.623654489341 0.323738104709} H24 54 1 1 {} {0.558812350103 0.570296460121 0.578467221891} H25 55 1 1 {} {0.537207969133 0.54146938187 0.47483345383} H26 56 1 1 {} {0.543985262206 0.628756739855 0.493731170413} H27 57 1 1 {} {0.604231732435 0.825019155521 0.473081718423} H28 58 1 1 {} {0.607153644949 0.780352656526 0.57549560441} H29 59 1 1 {} {0.572870597164 0.750609537515 0.487781663635} H30 60 1 1 {} {0.656549906109 0.75020474218 0.309085995345} H31 61 1 1 {} {0.700518078343 0.800695294736 0.517939503356} H32 62 1 1 {} {0.657653369454 0.415816408397 0.354550652485} H33 63 1 1 {} {0.685371101296 0.400516061075 0.506361623834} H34 64 1 1 {} {0.5391532922 0.288286864209 0.41374437116} H35 65 1 1 {} {0.573000726419 0.362977287226 0.300899130907} H36 66 1 1 {} {0.538493197831 0.413061736546 0.582399720276} H37 67 1 1 {} {0.55945388413 0.294794358115 0.587429567129} H38 68 1 1 {} {0.617260579044 0.432337974923 0.677647414646} H39 69 1 1 {} {0.638191374294 0.355447583572 0.676333225641} H40 70 1 1 {} {0.640119398258 0.26744192595 0.297669662222} H41 71 1 1 {} {0.624603493461 0.218121748705 0.382705481263} 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