#MD System 2.0 @Title neb0_image06 @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 {} {0.217006634595 0.526523804846 0.328615306466} C1 1 1 14 {} {0.27072394481 0.489203189418 0.286877767749} Si1 2 1 14 {} {0.170388308847 0.534967090445 0.248048955353} Si2 3 1 8 {} {0.28327464724 0.520237645892 0.187748046025} O1 4 1 8 {} {0.309654069606 0.511746299336 0.358486566586} O2 5 1 6 {} {0.269184309889 0.395911886301 0.281232969826} C2 6 1 6 {} {0.138915562733 0.455232866613 0.230137462214} C3 7 1 8 {} {0.194928006364 0.561974715774 0.154725036021} O3 8 1 8 {} {0.134948382002 0.595163070889 0.276451200711} O4 9 1 14 {} {0.361589972943 0.53923806438 0.362848044245} Si3 10 1 7 {} {0.394608360112 0.473492441088 0.402382228555} N1 11 1 14 {} {0.445657512052 0.471902310771 0.348726964673} Si4 12 1 14 {} {0.376099759073 0.420814986491 0.488788612105} Si5 13 1 7 {} {0.347082852394 0.459051740314 0.574835313274} N2 14 1 7 {} {0.454979004856 0.560629303752 0.334391992352} N3 15 1 1 {} {0.205596733042 0.498074792736 0.3873627853} H1 16 1 1 {} {0.2252348561 0.577328296201 0.352389511511} H2 17 1 1 {} {0.258181513028 0.542705914272 0.158097790809} H3 18 1 1 {} {0.263881433176 0.372704457252 0.346856015294} H4 19 1 1 {} {0.30085933595 0.376780911528 0.254385473078} H5 20 1 1 {} {0.242387866987 0.379400343177 0.236288103775} H6 21 1 1 {} {0.112319843418 0.461737882111 0.180340941489} H7 22 1 1 {} {0.123252860646 0.438007274783 0.292482740933} H8 23 1 1 {} {0.160909227922 0.414841944217 0.206781804491} H9 24 1 1 {} {0.176065315143 0.584318449517 0.110942267337} H10 25 1 1 {} {0.106358003206 0.582177997813 0.302489409235} H11 26 1 1 {} {0.377916056775 0.558759860869 0.273248688814} H12 27 1 1 {} {0.361673276479 0.597711579088 0.425361203811} H13 28 1 1 {} {0.475631260919 0.430241072646 0.409843541156} H14 29 1 1 {} {0.450162731626 0.443049811193 0.257068702408} H15 30 1 1 {} {0.344532781976 0.37046768968 0.449339436826} H16 31 1 1 {} {0.416407301745 0.387378439491 0.527243213687} H17 32 1 1 {} {0.315912772545 0.476027992545 0.562771928801} H18 33 1 1 {} {0.363062504609 0.490410489256 0.6177997009} H19 34 1 1 {} {0.488535914345 0.562805077924 0.315292191355} H20 35 1 1 {} {0.449499656192 0.582451099406 0.399049263505} H21 36 1 6 {} {0.649891644447 0.641538437204 0.483582288409} C4 37 1 14 {} {0.609737560599 0.577938570743 0.443676432413} Si6 38 1 14 {} {0.642029654346 0.727207236847 0.437485039081} Si7 39 1 8 {} {0.597744540851 0.585879446264 0.335483007867} O5 40 1 8 {} {0.627346312383 0.500852921622 0.459569569644} O6 41 1 6 {} {0.557880515972 0.582681060271 0.508520030145} C5 42 1 6 {} {0.593224762642 0.776170349497 0.482541612947} C6 43 1 8 {} {0.637967644958 0.714840355486 0.327260811504} O7 44 1 8 {} {0.688838789208 0.770719106805 0.453223688923} O8 45 1 14 {} {0.634608404147 0.422051758506 0.432404785594} Si8 46 1 7 {} {0.588559006832 0.370935097459 0.450420946212} N4 47 1 14 {} {0.569152330652 0.321288506432 0.361794181385} Si9 48 1 14 {} {0.563774931892 0.367174959498 0.556991702637} Si10 49 1 7 {} {0.599626732439 0.386111551608 0.642985898977} N5 50 1 7 {} {0.603576819192 0.258628537001 0.323166086684} N6 51 1 1 {} {0.641381495116 0.641425254758 0.555504987298} H22 52 1 1 {} {0.68480100916 0.625837051042 0.473129857592} H23 53 1 1 {} {0.611639695917 0.624406461244 0.305555667688} H24 54 1 1 {} {0.559388158176 0.58243273713 0.582559203512} H25 55 1 1 {} {0.545657467328 0.533956536637 0.481907891233} H26 56 1 1 {} {0.537460757279 0.625517447878 0.484910667274} H27 57 1 1 {} {0.592401380271 0.826782944962 0.453329675821} H28 58 1 1 {} {0.59541258939 0.782055942133 0.555550905179} H29 59 1 1 {} {0.560809482883 0.75259311354 0.467987300781} H30 60 1 1 {} {0.644528808579 0.752416867899 0.288807072404} H31 61 1 1 {} {0.688654741762 0.803864023222 0.49940330961} H32 62 1 1 {} {0.645381447391 0.417535759338 0.3347929617} H33 63 1 1 {} {0.673845302181 0.401799895014 0.487143318586} H34 64 1 1 {} {0.527222214881 0.289442833888 0.394818994786} H35 65 1 1 {} {0.560899662188 0.364706504073 0.282041235152} H36 66 1 1 {} {0.526864420688 0.416188750411 0.565915249755} H37 67 1 1 {} {0.546735633415 0.297481860306 0.568516535286} H38 68 1 1 {} {0.605270090703 0.434877174523 0.659111193835} H39 69 1 1 {} {0.626614354328 0.356748839237 0.657352267986} H40 70 1 1 {} {0.628204897236 0.269544862493 0.279196440964} H41 71 1 1 {} {0.613122084244 0.220199489523 0.363435818323} 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