#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 {} {0.224159511042 0.525217387381 0.340738193398} C1 1 1 14 {} {0.277889905321 0.488166394199 0.298795941361} Si1 2 1 14 {} {0.177554988163 0.533708509231 0.259897811807} Si2 3 1 8 {} {0.290673720911 0.520973247778 0.200908809972} O1 4 1 8 {} {0.316946707866 0.509398545729 0.370656443346} O2 5 1 6 {} {0.276242730312 0.395003422835 0.292159212781} C2 6 1 6 {} {0.146039787204 0.45397386563 0.242065515626} C3 7 1 8 {} {0.202042253141 0.559920946546 0.165706443943} O3 8 1 8 {} {0.142118723797 0.594664945248 0.287001194475} O4 9 1 14 {} {0.368522575596 0.537439146928 0.374257331696} Si3 10 1 7 {} {0.402090094919 0.472336721084 0.414297433597} N1 11 1 14 {} {0.454688819596 0.471671348356 0.365468659792} Si4 12 1 14 {} {0.383160384876 0.419034485683 0.500434553198} Si5 13 1 7 {} {0.354486807153 0.45799909759 0.586311524097} N2 14 1 7 {} {0.467430706993 0.555455900804 0.360724225159} N3 15 1 1 {} {0.212650181649 0.496606021421 0.399276241891} H1 16 1 1 {} {0.232140878798 0.57601315328 0.364903796279} H2 17 1 1 {} {0.265233673926 0.541418947858 0.170365365021} H3 18 1 1 {} {0.271047528657 0.371963739705 0.35794787232} H4 19 1 1 {} {0.307941141517 0.375942801253 0.265366256777} H5 20 1 1 {} {0.24947197764 0.377987687461 0.247405303259} H6 21 1 1 {} {0.119500076771 0.460196343573 0.192047580242} H7 22 1 1 {} {0.130479954344 0.436321479591 0.304284793835} H8 23 1 1 {} {0.168384945775 0.414071862887 0.218511178652} H9 24 1 1 {} {0.183474160445 0.58271086239 0.122429151551} H10 25 1 1 {} {0.113814688973 0.582180267037 0.313088836137} H11 26 1 1 {} {0.384786608567 0.556907614062 0.284115714393} H12 27 1 1 {} {0.368764742631 0.596423874129 0.436452656744} H13 28 1 1 {} {0.482060172493 0.426586861854 0.423043595453} H14 29 1 1 {} {0.458920872411 0.446112326557 0.270745641059} H15 30 1 1 {} {0.351786121037 0.369371491157 0.460318865503} H16 31 1 1 {} {0.423469038757 0.385862585841 0.538835895949} H17 32 1 1 {} {0.322963022709 0.474690728232 0.574273159182} H18 33 1 1 {} {0.370833677929 0.488742470567 0.629496911176} H19 34 1 1 {} {0.49627160377 0.565857481419 0.325813303431} H20 35 1 1 {} {0.463211839802 0.579565889709 0.420579583426} H21 36 1 6 {} {0.64180369604 0.642952384706 0.472024672297} C4 37 1 14 {} {0.601416302646 0.579219123985 0.430555758602} Si6 38 1 14 {} {0.634582359651 0.728656932371 0.426254755982} Si7 39 1 8 {} {0.592910826686 0.586435811876 0.321344870825} O5 40 1 8 {} {0.618602939877 0.50174205376 0.447685304047} O6 41 1 6 {} {0.547130465298 0.583490798892 0.489632208548} C5 42 1 6 {} {0.586098629057 0.777407849038 0.471611748769} C6 43 1 8 {} {0.62952321951 0.716497377213 0.316176415382} O7 44 1 8 {} {0.681811815079 0.770653593813 0.441713554759} O8 45 1 14 {} {0.627231480399 0.423407011034 0.420229113145} Si8 46 1 7 {} {0.581389307935 0.371957034741 0.438729709932} N4 47 1 14 {} {0.561907818314 0.322569825035 0.349966287149} Si9 48 1 14 {} {0.557016680794 0.368355021445 0.545465588902} Si10 49 1 7 {} {0.592713733621 0.387051366959 0.631909537059} N5 50 1 7 {} {0.596876944688 0.259944345474 0.312389037585} N6 51 1 1 {} {0.633227845981 0.642155691118 0.543690440944} H22 52 1 1 {} {0.676428020128 0.625208654415 0.460990459519} H23 53 1 1 {} {0.604932779801 0.626390867135 0.293316566076} H24 54 1 1 {} {0.548268794982 0.580906296238 0.564009446204} H25 55 1 1 {} {0.533007669416 0.53750659241 0.458408482271} H26 56 1 1 {} {0.528661829003 0.628589429552 0.468967586734} H27 57 1 1 {} {0.585367085735 0.827822124253 0.442190931027} H28 58 1 1 {} {0.588128868341 0.78320520786 0.544479519509} H29 59 1 1 {} {0.553927069531 0.753557624787 0.456417915472} H30 60 1 1 {} {0.637185875439 0.75379037486 0.278003005342} H31 61 1 1 {} {0.681665569341 0.80459020827 0.487580357821} H32 62 1 1 {} {0.638343403201 0.418850486556 0.323139278516} H33 63 1 1 {} {0.66634948725 0.403346701325 0.475352408038} H34 64 1 1 {} {0.520194553928 0.290641336068 0.382828590558} H35 65 1 1 {} {0.553715644818 0.365682822974 0.270602676185} H36 66 1 1 {} {0.520354309528 0.417997507728 0.554222899902} H37 67 1 1 {} {0.539596008852 0.298987200337 0.556712550461} H38 68 1 1 {} {0.598568844247 0.435901663764 0.647167354892} H39 69 1 1 {} {0.619588124581 0.358215385852 0.645760302028} H40 70 1 1 {} {0.621502685259 0.271058708661 0.268145306603} H41 71 1 1 {} {0.606392547905 0.222059127827 0.353408470256} 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