#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 {} {0.224080746786 0.525244613393 0.340579773885} C1 1 1 14 {} {0.277982159533 0.488270656784 0.298780945841} Si1 2 1 14 {} {0.177448853509 0.533709637902 0.259664507321} Si2 3 1 8 {} {0.290582229137 0.521125595346 0.200870298955} O1 4 1 8 {} {0.31751803503 0.508989373544 0.370047627764} O2 5 1 6 {} {0.276095407678 0.395072363217 0.291865345238} C2 6 1 6 {} {0.145875347745 0.453987563929 0.241855596964} C3 7 1 8 {} {0.201923603532 0.559807800731 0.165480372326} O3 8 1 8 {} {0.142041672358 0.594725370715 0.286666829748} O4 9 1 14 {} {0.368892067543 0.537693451005 0.374278791186} Si3 10 1 7 {} {0.402377081479 0.473200404461 0.41604606257} N1 11 1 14 {} {0.455395160983 0.471863949056 0.368704691818} Si4 12 1 14 {} {0.383229061936 0.419264756136 0.500454926151} Si5 13 1 7 {} {0.354550812405 0.458139946078 0.58536916067} N2 14 1 7 {} {0.468142708089 0.555837972606 0.361762660328} N3 15 1 1 {} {0.212511054793 0.49661700107 0.399071089038} H1 16 1 1 {} {0.231981805998 0.576053127375 0.364746540142} H2 17 1 1 {} {0.265096040969 0.541446921931 0.170195435084} H3 18 1 1 {} {0.270922093332 0.372015988614 0.357675003287} H4 19 1 1 {} {0.30780269811 0.375973874726 0.265105651032} H5 20 1 1 {} {0.24932073931 0.377986713423 0.24715881087} H6 21 1 1 {} {0.119356395691 0.460209757927 0.191833162177} H7 22 1 1 {} {0.130340828942 0.436298601683 0.304084757026} H8 23 1 1 {} {0.168265202007 0.414142787835 0.21829235497} H9 24 1 1 {} {0.183360543296 0.582710716625 0.122149544408} H10 25 1 1 {} {0.113658186119 0.582321377674 0.3127951867} H11 26 1 1 {} {0.385279623325 0.557136145943 0.284475078975} H12 27 1 1 {} {0.368517551648 0.596313515723 0.436113914675} H13 28 1 1 {} {0.482175379436 0.424138656648 0.425091610348} H14 29 1 1 {} {0.459924377094 0.449841459727 0.272686459881} H15 30 1 1 {} {0.352082641752 0.370376848397 0.45956144124} H16 31 1 1 {} {0.423373162178 0.385984170837 0.5385304243} H17 32 1 1 {} {0.322931871547 0.474616890161 0.573841718193} H18 33 1 1 {} {0.370749989316 0.488677161047 0.629097954334} H19 34 1 1 {} {0.497534595398 0.5654577897 0.331047770891} H20 35 1 1 {} {0.467704102887 0.577537016997 0.422752125576} H21 36 1 6 {} {0.63983104724 0.642592325618 0.472095866268} C4 37 1 14 {} {0.600848313639 0.578700745176 0.428563942351} Si6 38 1 14 {} {0.63420463023 0.728173550254 0.426691473939} Si7 39 1 8 {} {0.593184506735 0.585523180547 0.31865004275} O5 40 1 8 {} {0.617389892097 0.50190216689 0.447933267565} O6 41 1 6 {} {0.547373837105 0.585344350616 0.487532532748} C5 42 1 6 {} {0.586192241025 0.777521576102 0.471854096916} C6 43 1 8 {} {0.629554535324 0.716299351742 0.316544149838} O7 44 1 8 {} {0.681542398941 0.769393970967 0.442499301871} O8 45 1 14 {} {0.627168945663 0.423204341461 0.420276857855} Si8 46 1 7 {} {0.581566968384 0.371987083114 0.4389257465} N4 47 1 14 {} {0.562049491391 0.3225780522 0.350104444096} Si9 48 1 14 {} {0.557085352451 0.368396427138 0.545469182563} Si10 49 1 7 {} {0.592491943642 0.387272729381 0.631874171111} N5 50 1 7 {} {0.597033182837 0.259950571107 0.312635868569} N6 51 1 1 {} {0.63235024308 0.641882453656 0.544130097029} H22 52 1 1 {} {0.673678053414 0.623449042515 0.46015595551} H23 53 1 1 {} {0.605827656309 0.626997430913 0.292928532118} H24 54 1 1 {} {0.545043085661 0.577432973976 0.56061113295} H25 55 1 1 {} {0.534050091334 0.539631079509 0.456248223535} H26 56 1 1 {} {0.528128910418 0.630325075292 0.466676358912} H27 57 1 1 {} {0.585453356872 0.827943705657 0.44245372302} H28 58 1 1 {} {0.588214160232 0.783212680283 0.544758326347} H29 59 1 1 {} {0.554055640666 0.75359684403 0.456714226794} H30 60 1 1 {} {0.63738831629 0.753798260085 0.278575915457} H31 61 1 1 {} {0.681707293285 0.804009336206 0.487562039336} H32 62 1 1 {} {0.638439387291 0.419045254187 0.323650176475} H33 63 1 1 {} {0.666244748307 0.403700743394 0.475449134381} H34 64 1 1 {} {0.520333083081 0.290690441783 0.382997535744} H35 65 1 1 {} {0.553856828023 0.365604819366 0.270821935361} H36 66 1 1 {} {0.520256427013 0.418000866324 0.553515471183} H37 67 1 1 {} {0.539692727446 0.299069621774 0.556927389036} H38 68 1 1 {} {0.598681298912 0.435945776903 0.647251809668} H39 69 1 1 {} {0.619533198398 0.358147867882 0.645718699819} H40 70 1 1 {} {0.621653422273 0.271086900859 0.268428307185} H41 71 1 1 {} {0.606548809052 0.222101413158 0.353848556033} 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