#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 {} {0.208221533014 0.52812906123 0.313753747033} C1 1 1 14 {} {0.262144734475 0.49050789236 0.272336821191} Si1 2 1 14 {} {0.161587273801 0.536479664176 0.233115657217} Si2 3 1 8 {} {0.273823385921 0.520485843251 0.172587304862} O1 4 1 8 {} {0.301849798456 0.511691698563 0.341751541522} O2 5 1 6 {} {0.259468636236 0.397299359296 0.266508663662} C2 6 1 6 {} {0.129528149602 0.457208376899 0.215279467653} C3 7 1 8 {} {0.1858074279 0.562843432613 0.138878570844} O3 8 1 8 {} {0.126498989256 0.597488556869 0.26218900719} O4 9 1 14 {} {0.353541906479 0.540510679016 0.34898805569} Si3 10 1 7 {} {0.38779505951 0.477484325533 0.390717052295} N1 11 1 14 {} {0.441306414469 0.474860485966 0.346562988538} Si4 12 1 14 {} {0.36763014463 0.423583987054 0.472847482095} Si5 13 1 7 {} {0.338283662212 0.460300657473 0.558625868125} N2 14 1 7 {} {0.461312723453 0.555915034803 0.348524794319} N3 15 1 1 {} {0.196586369639 0.500050245831 0.372462480744} H1 16 1 1 {} {0.216269935749 0.579102882053 0.337230829785} H2 17 1 1 {} {0.248955548615 0.54400319725 0.143097654562} H3 18 1 1 {} {0.2540736301 0.373794244523 0.332034809931} H4 19 1 1 {} {0.291137306813 0.377874741715 0.239724088604} H5 20 1 1 {} {0.23271702858 0.380908805089 0.22139888981} H6 21 1 1 {} {0.103222466285 0.464051285637 0.165166404587} H7 22 1 1 {} {0.113727383106 0.440067193302 0.277474788638} H8 23 1 1 {} {0.151513697519 0.41678203684 0.191959695549} H9 24 1 1 {} {0.166946407375 0.586039718213 0.0962927826724} H10 25 1 1 {} {0.0978156114365 0.584459013271 0.286837497118} H11 26 1 1 {} {0.370075594245 0.561549430892 0.26026168264} H12 27 1 1 {} {0.351925952946 0.599335165492 0.411098746118} H13 28 1 1 {} {0.466397275115 0.42408368389 0.399266778852} H14 29 1 1 {} {0.44339379022 0.45527163093 0.250064742311} H15 30 1 1 {} {0.336325319874 0.373820490427 0.432469215456} H16 31 1 1 {} {0.407303007394 0.388614559468 0.511972298512} H17 32 1 1 {} {0.306620066922 0.476920484522 0.546610025896} H18 33 1 1 {} {0.353744371587 0.49180434508 0.601709343074} H19 34 1 1 {} {0.487216262168 0.568656300453 0.307761317478} H20 35 1 1 {} {0.465047658386 0.578708296863 0.408375748392} H21 36 1 6 {} {0.6537080405 0.638522486568 0.49818669725} C4 37 1 14 {} {0.613996440477 0.575083530887 0.452249559356} Si6 38 1 14 {} {0.650596553172 0.725310914215 0.453065070998} Si7 39 1 8 {} {0.608477588333 0.583436582179 0.343132714726} O5 40 1 8 {} {0.634340116062 0.499937594152 0.475481953707} O6 41 1 6 {} {0.558085502176 0.579719572317 0.505524202247} C5 42 1 6 {} {0.602586852218 0.775169207011 0.497471926567} C6 43 1 8 {} {0.647625107503 0.71322603857 0.34240159398} O7 44 1 8 {} {0.697802957796 0.767223996137 0.469197388155} O8 45 1 14 {} {0.643357777415 0.421297044214 0.446629910934} Si8 46 1 7 {} {0.598131266993 0.370301926291 0.467689987143} N4 47 1 14 {} {0.578049420406 0.319698336801 0.374968405944} Si9 48 1 14 {} {0.572162639106 0.364456091088 0.568680428118} Si10 49 1 7 {} {0.608372201814 0.384966989071 0.657351070549} N5 50 1 7 {} {0.612044683929 0.256838375757 0.337934145} N6 51 1 1 {} {0.64913450319 0.639821765606 0.571185958127} H22 52 1 1 {} {0.687971019706 0.620941817778 0.485735531013} H23 53 1 1 {} {0.62213524649 0.623615144303 0.319183434208} H24 54 1 1 {} {0.557947260057 0.572374061737 0.577958473244} H25 55 1 1 {} {0.537733569145 0.540165559701 0.474826021004} H26 56 1 1 {} {0.541976516486 0.628439774098 0.490879425328} H27 57 1 1 {} {0.601524374106 0.825586637524 0.468332505613} H28 58 1 1 {} {0.604719342813 0.780814602691 0.570408749069} H29 59 1 1 {} {0.570383416147 0.751044287133 0.483048502575} H30 60 1 1 {} {0.65403538875 0.750947952484 0.304181357073} H31 61 1 1 {} {0.697848170782 0.802102069962 0.514465835788} H32 62 1 1 {} {0.654501113653 0.416420104827 0.351251276647} H33 63 1 1 {} {0.682640098914 0.401081082515 0.502818584606} H34 64 1 1 {} {0.53621873086 0.289140327701 0.410409280614} H35 65 1 1 {} {0.56984626327 0.363406520352 0.29797399603} H36 66 1 1 {} {0.535070311049 0.413699307826 0.579932399035} H37 67 1 1 {} {0.556492699745 0.295360965367 0.584078424955} H38 68 1 1 {} {0.61416765296 0.434587484094 0.673867818709} H39 69 1 1 {} {0.635999681674 0.354768889278 0.672627905954} H40 70 1 1 {} {0.636731122115 0.268388968931 0.293282685755} H41 71 1 1 {} {0.621449871145 0.218719791268 0.377457997987} 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