#MD System 2.0 @Title neb0_image06 @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 {} {0.215359695584 0.526748286467 0.32683381926} C1 1 1 14 {} {0.268344693233 0.489138591231 0.284245276584} Si1 2 1 14 {} {0.168696193352 0.535430839302 0.245693979475} Si2 3 1 8 {} {0.282029514639 0.523863826824 0.188065187597} O1 4 1 8 {} {0.307502484064 0.50882539023 0.355925156033} O2 5 1 6 {} {0.26724036289 0.396570651316 0.277405648243} C2 6 1 6 {} {0.136875018808 0.455624248859 0.22777437095} C3 7 1 8 {} {0.193003770189 0.561004027448 0.150846834918} O3 8 1 8 {} {0.132972084778 0.596363622806 0.271959543551} O4 9 1 14 {} {0.360238429779 0.538505451774 0.361605941678} Si3 10 1 7 {} {0.39468645073 0.475315995074 0.404529683251} N1 11 1 14 {} {0.449822309145 0.471490718964 0.363929231409} Si4 12 1 14 {} {0.374638766207 0.42181660761 0.487884622142} Si5 13 1 7 {} {0.345758660386 0.461043152102 0.570361133742} N2 14 1 7 {} {0.476642560766 0.554292787258 0.365642658783} N3 15 1 1 {} {0.203463666803 0.498088466984 0.385056174289} H1 16 1 1 {} {0.223011690236 0.577842414869 0.350869461523} H2 17 1 1 {} {0.256315091378 0.543021442468 0.156355580076} H3 18 1 1 {} {0.262209956955 0.374033779114 0.343234220503} H4 19 1 1 {} {0.299012075245 0.377998233599 0.250885847155} H5 20 1 1 {} {0.240695950591 0.379596307296 0.233169624311} H6 21 1 1 {} {0.110341230682 0.461585282265 0.177370145539} H7 22 1 1 {} {0.121477109455 0.437581859778 0.290224454368} H8 23 1 1 {} {0.159838348998 0.416206476496 0.204166349769} H9 24 1 1 {} {0.174788659969 0.584138609556 0.108015226484} H10 25 1 1 {} {0.105033524257 0.584850705095 0.298091377437} H11 26 1 1 {} {0.375941395858 0.559266582017 0.26976791418} H12 27 1 1 {} {0.359785007343 0.597569867431 0.421379976175} H13 28 1 1 {} {0.475831184356 0.417960656607 0.419069122896} H14 29 1 1 {} {0.452483394937 0.462799222758 0.268217964292} H15 30 1 1 {} {0.343703700299 0.37292503323 0.443698688165} H16 31 1 1 {} {0.415061448235 0.388060855725 0.522814350256} H17 32 1 1 {} {0.313827641743 0.475671731331 0.558520902183} H18 33 1 1 {} {0.363092110773 0.489411331416 0.613927376336} H19 34 1 1 {} {0.49884961269 0.573409391688 0.319119136729} H20 35 1 1 {} {0.481048663937 0.576640340588 0.435432033211} H21 36 1 6 {} {0.642728212384 0.642113602638 0.486326516227} C4 37 1 14 {} {0.605345913481 0.574781592833 0.437368626985} Si6 38 1 14 {} {0.641410172219 0.727129377478 0.440424459885} Si7 39 1 8 {} {0.603902972511 0.582254378672 0.325256665092} O5 40 1 8 {} {0.624584716113 0.499039332448 0.461287093314} O6 41 1 6 {} {0.547275458495 0.582147845243 0.485388841254} C5 42 1 6 {} {0.595251326312 0.77586895295 0.486507593235} C6 43 1 8 {} {0.638275408202 0.714279022799 0.331502772131} O7 44 1 8 {} {0.689174434823 0.765131352189 0.456964477116} O8 45 1 14 {} {0.635654824666 0.420672045449 0.435730910508} Si8 46 1 7 {} {0.589760399871 0.369586768196 0.450306845961} N4 47 1 14 {} {0.572452086527 0.321553945715 0.366693476883} Si9 48 1 14 {} {0.5655434714 0.368539195035 0.560193760889} Si10 49 1 7 {} {0.601178920393 0.386157166793 0.645815360653} N5 50 1 7 {} {0.605396498445 0.258667686514 0.327143355619} N6 51 1 1 {} {0.64028666724 0.640830709152 0.560076712069} H22 52 1 1 {} {0.67504004108 0.617067078939 0.470586405882} H23 53 1 1 {} {0.61633633526 0.627370465676 0.306489995721} H24 54 1 1 {} {0.545663237965 0.56815469868 0.557599941306} H25 55 1 1 {} {0.526459208809 0.545299438982 0.453593319099} H26 56 1 1 {} {0.532486161901 0.634910561672 0.475186964243} H27 57 1 1 {} {0.594684695787 0.825722281995 0.456551306836} H28 58 1 1 {} {0.596975897777 0.781340721096 0.559439368928} H29 59 1 1 {} {0.563772938147 0.750953577207 0.470660371154} H30 60 1 1 {} {0.646092360457 0.752322326595 0.294390778248} H31 61 1 1 {} {0.690505742245 0.801869353146 0.501376179472} H32 62 1 1 {} {0.647455247579 0.41785131989 0.337358142039} H33 63 1 1 {} {0.674782139742 0.401782389976 0.488947362241} H34 64 1 1 {} {0.529203323923 0.289857210208 0.397444283141} H35 65 1 1 {} {0.56237926469 0.36445689067 0.284276965327} H36 66 1 1 {} {0.528644148551 0.416242500815 0.564817780255} H37 67 1 1 {} {0.548698233669 0.297584218469 0.570732700176} H38 68 1 1 {} {0.607198454493 0.433683605626 0.660795493514} H39 69 1 1 {} {0.627555707526 0.356580289374 0.658769605155} H40 70 1 1 {} {0.630603774832 0.269831280034 0.282796580462} H41 71 1 1 {} {0.615296972471 0.220976949397 0.368918200264} 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