#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 {} {0.215593201808 0.526793604172 0.326796313917} C1 1 1 14 {} {0.269530794022 0.489817133634 0.285076658174} Si1 2 1 14 {} {0.168904395695 0.535214187849 0.245811013413} Si2 3 1 8 {} {0.282085458492 0.522773848097 0.187173975721} O1 4 1 8 {} {0.309515362822 0.51018690265 0.355893146585} O2 5 1 6 {} {0.267579149181 0.396629648823 0.27804612829} C2 6 1 6 {} {0.137337281041 0.455532341795 0.228081043723} C3 7 1 8 {} {0.193422451725 0.561220903279 0.151633711872} O3 8 1 8 {} {0.133548227927 0.596257255257 0.272858873819} O4 9 1 14 {} {0.360987618029 0.539078948304 0.361069183978} Si3 10 1 7 {} {0.395423595235 0.475961489727 0.402953871862} N1 11 1 14 {} {0.449302495358 0.473840401251 0.360527922182} Si4 12 1 14 {} {0.37527557269 0.421870061826 0.485793987465} Si5 13 1 7 {} {0.346173353858 0.459669607044 0.57104145203} N2 14 1 7 {} {0.469256475111 0.554792260449 0.363691792733} N3 15 1 1 {} {0.203988383053 0.498177829301 0.385272624393} H1 16 1 1 {} {0.223456057162 0.577622618603 0.350966663137} H2 17 1 1 {} {0.256604786341 0.543013595392 0.156441307496} H3 18 1 1 {} {0.262409939591 0.373602037692 0.343842431019} H4 19 1 1 {} {0.299284866662 0.377549490951 0.251296658663} H5 20 1 1 {} {0.240793619101 0.379534789877 0.233368031193} H6 21 1 1 {} {0.110824937815 0.461776119017 0.178032897863} H7 22 1 1 {} {0.121811987745 0.437831774198 0.290304477237} H8 23 1 1 {} {0.15975464294 0.415738175113 0.204490077774} H9 24 1 1 {} {0.174890253079 0.584209834436 0.108393625281} H10 25 1 1 {} {0.105153961504 0.583993339284 0.298910129308} H11 26 1 1 {} {0.377350355765 0.55899014593 0.271307599573} H12 27 1 1 {} {0.359875318448 0.597820307569 0.422154637304} H13 28 1 1 {} {0.474172330065 0.422737190987 0.414086804112} H14 29 1 1 {} {0.452253647215 0.456598179185 0.264309840825} H15 30 1 1 {} {0.343902562889 0.372771632919 0.445277773254} H16 31 1 1 {} {0.414827553916 0.387658597029 0.524716753382} H17 32 1 1 {} {0.314579757103 0.47619179087 0.559952289578} H18 33 1 1 {} {0.362193915771 0.490114044557 0.614920961781} H19 34 1 1 {} {0.494508836941 0.568805145933 0.321922833146} H20 35 1 1 {} {0.474908491935 0.576687591959 0.423814989231} H21 36 1 6 {} {0.644905466284 0.639199168257 0.485761483964} C4 37 1 14 {} {0.605888818371 0.575475550238 0.438444899206} Si6 38 1 14 {} {0.642258593919 0.725682743862 0.440905485323} Si7 39 1 8 {} {0.602476168243 0.583611047703 0.32872243212} O5 40 1 8 {} {0.624936483116 0.500430527925 0.462148408124} O6 41 1 6 {} {0.549862693107 0.582158958396 0.490054521136} C5 42 1 6 {} {0.594667577712 0.77614737336 0.485669543424} C6 43 1 8 {} {0.638065936856 0.714835296962 0.330417229219} O7 44 1 8 {} {0.689800813753 0.767093398582 0.456657519456} O8 45 1 14 {} {0.635444758274 0.422514227282 0.434349871309} Si8 46 1 7 {} {0.590106307913 0.370344466125 0.452370744971} N4 47 1 14 {} {0.570606305426 0.321110575247 0.36395212557} Si9 48 1 14 {} {0.565342239344 0.367084202378 0.558900416316} Si10 49 1 7 {} {0.600700081949 0.385844132948 0.645518095736} N5 50 1 7 {} {0.60552120262 0.258379990147 0.326442707352} N6 51 1 1 {} {0.640475429738 0.640548654047 0.558767183526} H22 52 1 1 {} {0.678872631452 0.620424947539 0.473382205642} H23 53 1 1 {} {0.615072242048 0.625726618525 0.306533135111} H24 54 1 1 {} {0.548923108749 0.571898614328 0.561855380623} H25 55 1 1 {} {0.529561913032 0.543390991989 0.458358054415} H26 56 1 1 {} {0.534160965724 0.630946035431 0.476842225267} H27 57 1 1 {} {0.593891423384 0.826582534448 0.456273264314} H28 58 1 1 {} {0.596711691787 0.781674351087 0.558629894246} H29 59 1 1 {} {0.562581462374 0.752036366974 0.47052460664} H30 60 1 1 {} {0.645976578335 0.752314691513 0.292500496348} H31 61 1 1 {} {0.690199547363 0.802129992545 0.501275142266} H32 62 1 1 {} {0.646948818196 0.417574560411 0.337539906952} H33 63 1 1 {} {0.674621018406 0.402302462996 0.489132476068} H34 64 1 1 {} {0.528817441588 0.289253974795 0.396820174115} H35 65 1 1 {} {0.562382235611 0.364030953183 0.284504823594} H36 66 1 1 {} {0.528177138195 0.416558399043 0.565562246273} H37 67 1 1 {} {0.548209899841 0.297583842576 0.570754235252} H38 68 1 1 {} {0.607162620134 0.434333219845 0.660882009369} H39 69 1 1 {} {0.627632257928 0.356780321955 0.659063226496} H40 70 1 1 {} {0.63016621733 0.269585106362 0.282280474154} H41 71 1 1 {} {0.615068143495 0.220651837041 0.367778981255} 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