#MD System 2.0 @Title neb0_image08 @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 {} {0.223701389118 0.525219047398 0.340194575307} C1 1 1 14 {} {0.27704328161 0.487918960106 0.298387708008} Si1 2 1 14 {} {0.177419011452 0.533918133183 0.259725113786} Si2 3 1 8 {} {0.290313399122 0.519506724899 0.199772891363} O1 4 1 8 {} {0.314519460831 0.511699414073 0.372467942197} O2 5 1 6 {} {0.276162198199 0.394565377038 0.292436665509} C2 6 1 6 {} {0.146093019723 0.454117866302 0.241839338875} C3 7 1 8 {} {0.202098408027 0.560832365713 0.166224491167} O3 8 1 8 {} {0.142074341365 0.594388483469 0.28803708121} O4 9 1 14 {} {0.366952151553 0.536176393418 0.373224591468} Si3 10 1 7 {} {0.398439669857 0.468331932295 0.409565270714} N1 11 1 14 {} {0.447270545192 0.466427934699 0.346883001082} Si4 12 1 14 {} {0.382579690342 0.419443418806 0.498660324422} Si5 13 1 7 {} {0.354333637933 0.457044961715 0.586121507913} N2 14 1 7 {} {0.449899959368 0.557443325215 0.322994595546} N3 15 1 1 {} {0.212619692624 0.496698809935 0.399252354728} H1 16 1 1 {} {0.232469801364 0.575880071659 0.364412419264} H2 17 1 1 {} {0.265257895098 0.54141552521 0.16969580862} H3 18 1 1 {} {0.27087200197 0.371517921472 0.35805851243} H4 19 1 1 {} {0.307852455778 0.37558828279 0.265683977723} H5 20 1 1 {} {0.249451237329 0.37794871241 0.247543452507} H6 21 1 1 {} {0.119556710958 0.460524571744 0.192024615989} H7 22 1 1 {} {0.130480146132 0.436856640108 0.304190451245} H8 23 1 1 {} {0.168166065445 0.413819622302 0.218566580914} H9 24 1 1 {} {0.183176182114 0.582938099445 0.122502408281} H10 25 1 1 {} {0.113688971075 0.581170144565 0.313652722961} H11 26 1 1 {} {0.381668101254 0.556398971254 0.282071613916} H12 27 1 1 {} {0.369174586572 0.595564517841 0.436089994509} H13 28 1 1 {} {0.48161749321 0.438652062712 0.411577518433} H14 29 1 1 {} {0.453554156947 0.430041303965 0.262575496232} H15 30 1 1 {} {0.350383936322 0.366294064777 0.463564486427} H16 31 1 1 {} {0.423014694006 0.386048997753 0.538665400282} H17 32 1 1 {} {0.323033027606 0.475142851641 0.575342986768} H18 33 1 1 {} {0.3699965167 0.488730507834 0.629358109481} H19 34 1 1 {} {0.483849084251 0.565652484224 0.316541225805} H20 35 1 1 {} {0.43209939518 0.589571805805 0.382806834906} H21 36 1 6 {} {0.649617494034 0.642776360197 0.473067478428} C4 37 1 14 {} {0.608056789073 0.579928484013 0.435486813365} Si6 38 1 14 {} {0.637110849563 0.72888020752 0.425887473163} Si7 39 1 8 {} {0.590169484696 0.589131935665 0.33578268671} O5 40 1 8 {} {0.624422497125 0.502374902511 0.448482420716} O6 41 1 6 {} {0.557637911143 0.582874316874 0.512573176172} C5 42 1 6 {} {0.586778629131 0.776676319111 0.471138083623} C6 43 1 8 {} {0.630876000284 0.717268281042 0.316186646427} O7 44 1 8 {} {0.683309766778 0.776599609907 0.439032577317} O8 45 1 14 {} {0.628496093711 0.424063106834 0.421525241012} Si8 46 1 7 {} {0.581552998294 0.371785792657 0.437570215351} N4 47 1 14 {} {0.562054672902 0.323160075744 0.351038257712} Si9 48 1 14 {} {0.557577453583 0.367875751571 0.547119277527} Si10 49 1 7 {} {0.593898031687 0.386792758894 0.632269655285} N5 50 1 7 {} {0.596176030428 0.260045338368 0.311974127721} N6 51 1 1 {} {0.639296945391 0.644418502313 0.543239797544} H22 52 1 1 {} {0.686232602014 0.633627753986 0.466439685279} H23 53 1 1 {} {0.601826534651 0.624066162874 0.297738648941} H24 54 1 1 {} {0.56386822022 0.593471708151 0.585396108638} H25 55 1 1 {} {0.550229943583 0.530128009479 0.496255445549} H26 56 1 1 {} {0.535036333371 0.616328013783 0.484205730829} H27 57 1 1 {} {0.585553630373 0.827533390854 0.441666355268} H28 58 1 1 {} {0.588389238849 0.783182789306 0.544112861407} H29 59 1 1 {} {0.554322475009 0.753206666685 0.455841413163} H30 60 1 1 {} {0.636965794898 0.753990312246 0.275957612672} H31 61 1 1 {} {0.682346798702 0.807587373642 0.488702945607} H32 62 1 1 {} {0.6383822023 0.417556853851 0.322552083247} H33 63 1 1 {} {0.667221204573 0.401036530826 0.475559692452} H34 64 1 1 {} {0.519940851114 0.290156326853 0.383295495792} H35 65 1 1 {} {0.553563445186 0.365832421793 0.270746071943} H36 66 1 1 {} {0.520802942738 0.417869029561 0.557891870505} H37 67 1 1 {} {0.53960278666 0.298305151738 0.556777381796} H38 68 1 1 {} {0.598314818111 0.434544721229 0.647444264969} H39 69 1 1 {} {0.620046941682 0.358583816623 0.646403246436} H40 70 1 1 {} {0.621125034029 0.270943274034 0.267507576526} H41 71 1 1 {} {0.605992108573 0.221210569315 0.352227587445} 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