#MD System 2.0 @Title neb0_image09 @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 {} {0.223879310165 0.525287014005 0.340288982063} C1 1 1 14 {} {0.277854076313 0.488317802757 0.298537030628} Si1 2 1 14 {} {0.17720778342 0.533744247335 0.259276620795} Si2 3 1 8 {} {0.290417831082 0.521316916762 0.200675054847} O1 4 1 8 {} {0.317837202838 0.508758399171 0.369529972823} O2 5 1 6 {} {0.275880513895 0.395114885661 0.291464002141} C2 6 1 6 {} {0.14565696716 0.454024226396 0.241547871934} C3 7 1 8 {} {0.201720378935 0.559712813566 0.165107774238} O3 8 1 8 {} {0.141862508365 0.59479101789 0.286251439677} O4 9 1 14 {} {0.369328830524 0.537368353837 0.374360383839} Si3 10 1 7 {} {0.403449037664 0.474301281861 0.417089074914} N1 11 1 14 {} {0.45498420023 0.468593299814 0.370929789345} Si4 12 1 14 {} {0.383526437385 0.420367664998 0.499312517435} Si5 13 1 7 {} {0.354584084487 0.458140741797 0.584192208176} N2 14 1 7 {} {0.46908893867 0.556530738412 0.364747762976} N3 15 1 1 {} {0.21230206639 0.496639281793 0.398761591602} H1 16 1 1 {} {0.231758442131 0.576091121336 0.364470768589} H2 17 1 1 {} {0.264895510634 0.541481331224 0.16991435237} H3 18 1 1 {} {0.270725121997 0.372100308109 0.35728329486} H4 19 1 1 {} {0.307594156551 0.376037444312 0.264737160506} H5 20 1 1 {} {0.249100138851 0.377984687832 0.246797767071} H6 21 1 1 {} {0.119144147282 0.460234241617 0.191497857817} H7 22 1 1 {} {0.130134647036 0.436288869901 0.303770538876} H8 23 1 1 {} {0.168076721934 0.414223945328 0.21795879614} H9 24 1 1 {} {0.183194945856 0.582698469412 0.12181214766} H10 25 1 1 {} {0.113468196741 0.582484395787 0.312359476718} H11 26 1 1 {} {0.385552044408 0.557436295121 0.284719900222} H12 27 1 1 {} {0.368191647572 0.596222833408 0.435546256288} H13 28 1 1 {} {0.482264208051 0.422047941015 0.426853791867} H14 29 1 1 {} {0.460680575902 0.454412539344 0.277214022624} H15 30 1 1 {} {0.352174109221 0.371153828794 0.458860637698} H16 31 1 1 {} {0.423164479722 0.386075153948 0.538204154247} H17 32 1 1 {} {0.322910045953 0.474613406914 0.573472929149} H18 33 1 1 {} {0.370501150879 0.488548444206 0.628418392455} H19 34 1 1 {} {0.499943756452 0.566498816584 0.336288207803} H20 35 1 1 {} {0.47396405025 0.57598000181 0.425456204358} H21 36 1 6 {} {0.63710675427 0.640868064824 0.472085002963} C4 37 1 14 {} {0.599757302385 0.577702217016 0.426073466426} Si6 38 1 14 {} {0.634059544321 0.727109608822 0.427572766638} Si7 39 1 8 {} {0.593683523995 0.584980810828 0.316064694123} O5 40 1 8 {} {0.616418154509 0.502181255711 0.448419439016} O6 41 1 6 {} {0.547882202223 0.587459410095 0.484108381647} C5 42 1 6 {} {0.586361023634 0.77766765179 0.47221868657} C6 43 1 8 {} {0.629665545692 0.716313509463 0.316936065423} O7 44 1 8 {} {0.681478207632 0.768645233969 0.443141959517} O8 45 1 14 {} {0.627103937928 0.423915938786 0.42084019438} Si8 46 1 7 {} {0.581853067403 0.371956060978 0.439208922833} N4 47 1 14 {} {0.562361119814 0.322422504872 0.350531330843} Si9 48 1 14 {} {0.55709640309 0.368539127603 0.54538011375} Si10 49 1 7 {} {0.592397098891 0.387313157023 0.632071159426} N5 50 1 7 {} {0.597263409895 0.259975933968 0.313077847044} N6 51 1 1 {} {0.632094274361 0.641976884018 0.544967280189} H22 52 1 1 {} {0.670816593761 0.622069278117 0.459869241165} H23 53 1 1 {} {0.606663445142 0.627231641605 0.293216439095} H24 54 1 1 {} {0.541600449734 0.573584016725 0.554669853689} H25 55 1 1 {} {0.533132462975 0.542602801119 0.454563949895} H26 56 1 1 {} {0.527430322734 0.63113937819 0.464672311726} H27 57 1 1 {} {0.585588375494 0.828124679197 0.442796218366} H28 58 1 1 {} {0.588397703098 0.783180120863 0.54516651204} H29 59 1 1 {} {0.554270962403 0.753545042595 0.457063172287} H30 60 1 1 {} {0.637652763243 0.753854941702 0.279041993654} H31 61 1 1 {} {0.681888476596 0.803649416591 0.487789658385} H32 62 1 1 {} {0.638642686893 0.419060989653 0.324034549926} H33 63 1 1 {} {0.66630118221 0.403781957974 0.475671359286} H34 64 1 1 {} {0.520484899454 0.290689678921 0.383302641752} H35 65 1 1 {} {0.554049474176 0.365602448539 0.270976374614} H36 66 1 1 {} {0.520234071617 0.417935137318 0.55280101386} H37 67 1 1 {} {0.539884640518 0.299116764345 0.557283471083} H38 68 1 1 {} {0.598899259455 0.436034055126 0.647499081941} H39 69 1 1 {} {0.619556250756 0.358125490193 0.645794108099} H40 70 1 1 {} {0.621834968345 0.271079891585 0.26890538132} H41 71 1 1 {} {0.606749023061 0.222245112304 0.354284736763} 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