#MD System 2.0 @Title neb0_image01 @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 {} {0.202506468038 0.529179269951 0.305678175432} C1 1 1 14 {} {0.256439378338 0.492198011293 0.263827089697} Si1 2 1 14 {} {0.155809775877 0.53768582032 0.224680508872} Si2 3 1 8 {} {0.269068789415 0.525407460746 0.16607174629} O1 4 1 8 {} {0.296414508007 0.512460555345 0.334832124678} O2 5 1 6 {} {0.254477388983 0.39901793704 0.256811838156} C2 6 1 6 {} {0.124278497357 0.457973679931 0.206922485943} C3 7 1 8 {} {0.180312503924 0.563481420202 0.130389565079} O3 8 1 8 {} {0.120462072943 0.598851402222 0.25155488529} O4 9 1 14 {} {0.347901013604 0.541404256944 0.339875501098} Si3 10 1 7 {} {0.382653049638 0.478482781775 0.381521286392} N1 11 1 14 {} {0.437096351492 0.476940238527 0.340694850094} Si4 12 1 14 {} {0.362265812078 0.424279318793 0.464317663898} Si5 13 1 7 {} {0.333146764908 0.462117695461 0.549734099624} N2 14 1 7 {} {0.459070209687 0.556670397973 0.346855845526} N3 15 1 1 {} {0.190897699897 0.500576796622 0.364161650735} H1 16 1 1 {} {0.210333747664 0.580008329363 0.329862398128} H2 17 1 1 {} {0.243501583948 0.545406337054 0.135333186587} H3 18 1 1 {} {0.2493247809 0.376064027934 0.322685586328} H4 19 1 1 {} {0.286205082255 0.380020389064 0.23002370681} H5 20 1 1 {} {0.22770612659 0.381912747072 0.212112613826} H6 21 1 1 {} {0.0977580855759 0.464134651917 0.156871621089} H7 22 1 1 {} {0.108745834681 0.440204296663 0.269098745298} H8 23 1 1 {} {0.146689168458 0.418165014901 0.18329643812} H9 24 1 1 {} {0.161834469489 0.586596081704 0.0871715108188} H10 25 1 1 {} {0.0920902929145 0.586482049612 0.277641610035} H11 26 1 1 {} {0.364292877879 0.56136664033 0.249985704026} H12 27 1 1 {} {0.346767982462 0.600250309728 0.40096193034} H13 28 1 1 {} {0.46109676287 0.424524970146 0.393291520967} H14 29 1 1 {} {0.439192245725 0.459624220749 0.243889007335} H15 30 1 1 {} {0.330776929549 0.375123302802 0.424065347581} H16 31 1 1 {} {0.401726719016 0.390051189747 0.503635073963} H17 32 1 1 {} {0.301520616149 0.478582855928 0.538798857656} H18 33 1 1 {} {0.349158089039 0.492482941386 0.593747831269} H19 34 1 1 {} {0.481915666601 0.571594941432 0.300851789497} H20 35 1 1 {} {0.464892431829 0.578816707447 0.406836300602} H21 36 1 6 {} {0.657682829843 0.636629289426 0.507020335365} C4 37 1 14 {} {0.618187079153 0.572811773683 0.459098465449} Si6 38 1 14 {} {0.655329240517 0.723278866827 0.462161761252} Si7 39 1 8 {} {0.615928504254 0.581063823515 0.349455406725} O5 40 1 8 {} {0.637888784936 0.498029033474 0.483382990344} O6 41 1 6 {} {0.561085990787 0.578934714901 0.508150329869} C5 42 1 6 {} {0.607743010626 0.773738454056 0.506883434325} C6 43 1 8 {} {0.651014332979 0.712531295372 0.351703966273} O7 44 1 8 {} {0.702938447552 0.764634995441 0.477837897135} O8 45 1 14 {} {0.648505295256 0.420185988288 0.455487168034} Si8 46 1 7 {} {0.603162351175 0.367983902452 0.473612624429} N4 47 1 14 {} {0.583600835827 0.318782434102 0.385099847969} Si9 48 1 14 {} {0.57851409419 0.364686663587 0.580085857159} Si10 49 1 7 {} {0.613703241028 0.383444695945 0.667060102099} N5 50 1 7 {} {0.618658473254 0.256082176617 0.347833399293} N6 51 1 1 {} {0.653547187318 0.638176368279 0.580112406242} H22 52 1 1 {} {0.691741682078 0.617826922754 0.49457469844} H23 53 1 1 {} {0.628225062919 0.623443686729 0.32763928555} H24 54 1 1 {} {0.561261527229 0.568969607746 0.580274601826} H25 55 1 1 {} {0.539008240372 0.541995064462 0.476358326744} H26 56 1 1 {} {0.546665188472 0.628904558327 0.49731231783} H27 57 1 1 {} {0.606992613974 0.824159521279 0.477506130542} H28 58 1 1 {} {0.609803442452 0.779249389823 0.579820227417} H29 59 1 1 {} {0.57567562978 0.749558021839 0.491682184452} H30 60 1 1 {} {0.659050935432 0.749919404269 0.31375162095} H31 61 1 1 {} {0.703290547071 0.799678736446 0.522453430429} H32 62 1 1 {} {0.660048799362 0.415111698491 0.358744665675} H33 63 1 1 {} {0.687685408998 0.399788908356 0.510275026654} H34 64 1 1 {} {0.541844000138 0.286760571476 0.417969108408} H35 65 1 1 {} {0.57545288664 0.361636407158 0.305505379989} H36 66 1 1 {} {0.541316287927 0.414077001921 0.586283894587} H37 67 1 1 {} {0.561292152885 0.295272176518 0.591805084829} H38 68 1 1 {} {0.620290736374 0.432030213923 0.682005115745} H39 69 1 1 {} {0.640725431872 0.354329909138 0.680146649906} H40 70 1 1 {} {0.643278726784 0.267142834752 0.303562538563} H41 71 1 1 {} {0.628209079754 0.218314793425 0.389061749196} 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