#MD System 2.0 @Title neb0_image07 @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 {} {0.218255402042 0.526305829423 0.331148577875} C1 1 1 14 {} {0.272193147427 0.489328375231 0.289363231276} Si1 2 1 14 {} {0.171573288179 0.53479065997 0.250176268773} Si2 3 1 8 {} {0.284769888046 0.522323602853 0.191478611149} O1 4 1 8 {} {0.312072930684 0.509711979123 0.360269885453} O2 5 1 6 {} {0.270235036072 0.396129357188 0.282354289317} C2 6 1 6 {} {0.140032732811 0.455075728655 0.232428235346} C3 7 1 8 {} {0.196060412791 0.560738322085 0.155923928392} O3 8 1 8 {} {0.136205498201 0.595877243675 0.277187802663} O4 9 1 14 {} {0.363578550144 0.53861078877 0.365263044652} Si3 10 1 7 {} {0.397860052309 0.475251315549 0.407205609393} N1 11 1 14 {} {0.451840926283 0.473400898672 0.364346752624} Si4 12 1 14 {} {0.377871158722 0.421197670758 0.490121949255} Si5 13 1 7 {} {0.348818108161 0.45917023467 0.575458069557} N2 14 1 7 {} {0.470929461993 0.554803244872 0.366171392915} N3 15 1 1 {} {0.206651501112 0.497686945966 0.389637439568} H1 16 1 1 {} {0.226119709285 0.577137237124 0.355325937944} H2 17 1 1 {} {0.259268100868 0.542514902661 0.160770494623} H3 18 1 1 {} {0.265073489301 0.373120274675 0.348177680563} H4 19 1 1 {} {0.301952267978 0.377088402805 0.255589563397} H5 20 1 1 {} {0.243461094881 0.379043991105 0.237650075258} H6 21 1 1 {} {0.113517786905 0.46127056632 0.182382635754} H7 22 1 1 {} {0.124494542228 0.437347579525 0.294618547525} H8 23 1 1 {} {0.162433715538 0.415260357568 0.208829204952} H9 24 1 1 {} {0.177546014414 0.583740131593 0.112664900877} H10 25 1 1 {} {0.107822429195 0.583496440237 0.303227361104} H11 26 1 1 {} {0.379992791044 0.558463348095 0.275485829683} H12 27 1 1 {} {0.362564803865 0.597332288584 0.426487203939} H13 28 1 1 {} {0.476837241675 0.422519653493 0.418183808014} H14 29 1 1 {} {0.454804344689 0.455458232441 0.267830774415} H15 30 1 1 {} {0.346525674954 0.372177231139 0.449615599021} H16 31 1 1 {} {0.417499832404 0.387172171006 0.529030245018} H17 32 1 1 {} {0.317219036964 0.475709292536 0.564270482343} H18 33 1 1 {} {0.364880524093 0.489644928884 0.619316590948} H19 34 1 1 {} {0.496636898145 0.567938729177 0.325588096158} H20 35 1 1 {} {0.475808257815 0.576518098283 0.426869335267} H21 36 1 6 {} {0.642658782143 0.639919668268 0.481470442095} C4 37 1 14 {} {0.603692809108 0.57622067344 0.43444373444} Si6 38 1 14 {} {0.639624294264 0.72629967286 0.436550320855} Si7 39 1 8 {} {0.599674490139 0.584206907413 0.324885387161} O5 40 1 8 {} {0.622357083927 0.500843375836 0.457816118167} O6 41 1 6 {} {0.547742783082 0.582810647544 0.486965072543} C5 42 1 6 {} {0.592004290994 0.776606216682 0.481393487707} C6 43 1 8 {} {0.635242771506 0.71537304521 0.326155367843} O7 44 1 8 {} {0.687202681912 0.767649775073 0.452256427199} O8 45 1 14 {} {0.632798818412 0.422932404315 0.429970994886} Si8 46 1 7 {} {0.587423999366 0.370869675087 0.44814340417} N4 47 1 14 {} {0.567900473773 0.321595809261 0.359529871733} Si9 48 1 14 {} {0.56273582389 0.367503396687 0.554599565146} Si10 49 1 7 {} {0.598127941616 0.386341598069 0.641318386386} N5 50 1 7 {} {0.602824074147 0.258844124686 0.322079372031} N6 51 1 1 {} {0.637844338829 0.64100317044 0.554364608679} H22 52 1 1 {} {0.676567764868 0.621037630091 0.469112174783} H23 53 1 1 {} {0.612300312901 0.626129615743 0.30227235028} H24 54 1 1 {} {0.546841523785 0.572849390707 0.55896490771} H25 55 1 1 {} {0.528173911908 0.543169828823 0.455236953251} H26 56 1 1 {} {0.531739665214 0.631276954703 0.472925209993} H27 57 1 1 {} {0.59125219157 0.827033333459 0.451973333346} H28 58 1 1 {} {0.594048459965 0.782166524161 0.554329511907} H29 59 1 1 {} {0.559922326864 0.752511314078 0.46619975077} H30 60 1 1 {} {0.643284245948 0.752761055283 0.288211732807} H31 61 1 1 {} {0.687540804924 0.80263530532 0.496937740745} H32 62 1 1 {} {0.644281793447 0.41805807069 0.333295270612} H33 63 1 1 {} {0.671970271655 0.402764614892 0.484836205783} H34 64 1 1 {} {0.526157115756 0.289701477801 0.392507116938} H35 65 1 1 {} {0.559722275463 0.36450239995 0.280188260457} H36 66 1 1 {} {0.52560596236 0.417003416178 0.561327207435} H37 67 1 1 {} {0.545552884996 0.29811575912 0.566388384742} H38 68 1 1 {} {0.604498878569 0.434826160124 0.656557963621} H39 69 1 1 {} {0.624989881774 0.357245132661 0.654725522476} H40 70 1 1 {} {0.627528935678 0.270047716884 0.277956969502} H41 71 1 1 {} {0.612436539053 0.221091030018 0.363469541347} 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