#MD System 2.0 @Title neb0_image04 @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 {} {0.21388713669 0.528176189327 0.32001366207} C1 1 1 14 {} {0.266134290875 0.487841038239 0.280501876485} Si1 2 1 14 {} {0.167851523176 0.534939597837 0.24059245093} Si2 3 1 8 {} {0.275910603391 0.507655297896 0.174071391533} O1 4 1 8 {} {0.306024521079 0.513972497779 0.348239490344} O2 5 1 6 {} {0.264801419257 0.395152164257 0.277345428316} C2 6 1 6 {} {0.135163344646 0.456117585322 0.22545523004} C3 7 1 8 {} {0.190822031015 0.563173128687 0.147046717092} O3 8 1 8 {} {0.132705309813 0.591726190263 0.27781771245} O4 9 1 14 {} {0.357242567797 0.542503796818 0.359586295084} Si3 10 1 7 {} {0.388492556347 0.476021472017 0.399693635222} N1 11 1 14 {} {0.435333822195 0.466620405946 0.331890681996} Si4 12 1 14 {} {0.372503421778 0.421206771565 0.484265460112} Si5 13 1 7 {} {0.341680086024 0.457543543872 0.569048125363} N2 14 1 7 {} {0.433183065905 0.562828195334 0.29965915871} N3 15 1 1 {} {0.20231311964 0.49951183406 0.378080482849} H1 16 1 1 {} {0.223757206434 0.578751521291 0.342325976445} H2 17 1 1 {} {0.254344134331 0.543264119854 0.147803292594} H3 18 1 1 {} {0.258767821386 0.368998789699 0.340102623987} H4 19 1 1 {} {0.295942683753 0.373749983427 0.251669881555} H5 20 1 1 {} {0.238088550594 0.380420400083 0.23146665206} H6 21 1 1 {} {0.109025822129 0.465127051205 0.17497754568} H7 22 1 1 {} {0.118730238473 0.440763459933 0.288473564571} H8 23 1 1 {} {0.1561022118 0.414307951862 0.202432924085} H9 24 1 1 {} {0.170568715542 0.586973840514 0.105400414741} H10 25 1 1 {} {0.102868728426 0.578016994257 0.299697138846} H11 26 1 1 {} {0.374566860883 0.561545763716 0.273761866975} H12 27 1 1 {} {0.357300571184 0.598727326227 0.421138024036} H13 28 1 1 {} {0.471329317864 0.433954115578 0.39894927779} H14 29 1 1 {} {0.444197830038 0.435805343298 0.245701757842} H15 30 1 1 {} {0.341976437842 0.371739117429 0.441292607763} H16 31 1 1 {} {0.413672014724 0.387038487831 0.517997762043} H17 32 1 1 {} {0.311083880794 0.474963136175 0.554914880026} H18 33 1 1 {} {0.356820311892 0.491720251883 0.610570900703} H19 34 1 1 {} {0.486878146532 0.554945192762 0.308365672073} H20 35 1 1 {} {0.428896767429 0.583255580642 0.362877858231} H21 36 1 6 {} {0.656323895421 0.644151591071 0.48822877707} C4 37 1 14 {} {0.618852076178 0.580562969972 0.456607781487} Si6 38 1 14 {} {0.646159466673 0.728017595901 0.440995116482} Si7 39 1 8 {} {0.592609320974 0.588994587429 0.347502689969} O5 40 1 8 {} {0.636469804134 0.502806698275 0.469190480065} O6 41 1 6 {} {0.574069491084 0.586767505796 0.541550112344} C5 42 1 6 {} {0.597067599283 0.777725866469 0.486471622373} C6 43 1 8 {} {0.647370324261 0.712489846878 0.33052349911} O7 44 1 8 {} {0.691314469744 0.774895399436 0.457663487156} O8 45 1 14 {} {0.639631939157 0.422350653543 0.442148124912} Si8 46 1 7 {} {0.592004779374 0.373170287356 0.458453860957} N4 47 1 14 {} {0.572997581381 0.322468084374 0.366572108412} Si9 48 1 14 {} {0.567202852367 0.365315764465 0.563002561441} Si10 49 1 7 {} {0.602796476586 0.384716144475 0.650415800318} N5 50 1 7 {} {0.606225443116 0.259393319477 0.325578276015} N6 51 1 1 {} {0.646813778652 0.641157292247 0.559793522013} H22 52 1 1 {} {0.690979273554 0.630821670638 0.477123187374} H23 53 1 1 {} {0.613570632548 0.620793780765 0.311671473036} H24 54 1 1 {} {0.566679789617 0.58793336017 0.61608152567} H25 55 1 1 {} {0.57418090594 0.523460623191 0.511105084335} H26 56 1 1 {} {0.545718920707 0.6219697662 0.498750728319} H27 57 1 1 {} {0.595937466558 0.828631532355 0.45696362874} H28 58 1 1 {} {0.599200196039 0.783655312305 0.560121501812} H29 59 1 1 {} {0.563955719394 0.755417124514 0.474123645539} H30 60 1 1 {} {0.649136986172 0.751885863591 0.291731343824} H31 61 1 1 {} {0.692494619368 0.804882442683 0.505515795803} H32 62 1 1 {} {0.64960617025 0.419266144198 0.344148344843} H33 63 1 1 {} {0.679079440046 0.401937724555 0.497810314472} H34 64 1 1 {} {0.531177245157 0.291917434333 0.398080410217} H35 65 1 1 {} {0.563849502436 0.364947446953 0.286450651432} H36 66 1 1 {} {0.528509156101 0.411868051744 0.576073758407} H37 67 1 1 {} {0.552936350521 0.293069002979 0.573556014052} H38 68 1 1 {} {0.609087919074 0.435824824678 0.661870336823} H39 69 1 1 {} {0.631194016847 0.357905182265 0.665831555843} H40 70 1 1 {} {0.629822571277 0.269084936559 0.280765819252} H41 71 1 1 {} {0.613683857347 0.217988412626 0.364106996826} 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