#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 {} {0.215408931638 0.526799732524 0.326556328258} C1 1 1 14 {} {0.269350317288 0.489834345742 0.284706369557} Si1 2 1 14 {} {0.16870306065 0.535324213469 0.245586088963} Si2 3 1 8 {} {0.281973697547 0.52304750522 0.186965921923} O1 4 1 8 {} {0.309294371712 0.510102211417 0.355724428707} O2 5 1 6 {} {0.267374755376 0.396636435076 0.277695942302} C2 6 1 6 {} {0.13717618035 0.455596926943 0.227805374914} C3 7 1 8 {} {0.193206632859 0.561118089217 0.151282677982} O3 8 1 8 {} {0.133357640951 0.596491861751 0.272415847931} O4 9 1 14 {} {0.360794125351 0.539011517334 0.360772832232} Si3 10 1 7 {} {0.395541054471 0.476104968789 0.402406905904} N1 11 1 14 {} {0.449981900408 0.474580614694 0.361567560991} Si4 12 1 14 {} {0.375152751227 0.421920089088 0.485209551577} Si5 13 1 7 {} {0.346040938212 0.459751232155 0.570612837236} N2 14 1 7 {} {0.471943690793 0.554308384052 0.367742728003} N3 15 1 1 {} {0.203790558632 0.498206874674 0.385063378304} H1 16 1 1 {} {0.223223028856 0.577638234179 0.350758561643} H2 17 1 1 {} {0.256391675546 0.543034374818 0.156225017547} H3 18 1 1 {} {0.262219138765 0.37370245741 0.343583725568} H4 19 1 1 {} {0.299100672147 0.377664018718 0.250898492004} H5 20 1 1 {} {0.240598786299 0.379540245082 0.232983419211} H6 21 1 1 {} {0.110654079052 0.461758068357 0.177757022613} H7 22 1 1 {} {0.121643487141 0.437831841823 0.289976374601} H8 23 1 1 {} {0.159584112605 0.415798245155 0.204179235418} H9 24 1 1 {} {0.174729062347 0.584229218666 0.108042068782} H10 25 1 1 {} {0.104980891988 0.584114978973 0.29852358744} H11 26 1 1 {} {0.37719184353 0.559000467831 0.270838520848} H12 27 1 1 {} {0.359662216933 0.597897408095 0.421862662296} H13 28 1 1 {} {0.473998617404 0.422152095308 0.41419115509} H14 29 1 1 {} {0.452088620858 0.457254131794 0.264757330492} H15 30 1 1 {} {0.343668544195 0.372748581594 0.444948314785} H16 31 1 1 {} {0.414621337483 0.387683655293 0.524523911497} H17 32 1 1 {} {0.314417767061 0.476211791453 0.559679706921} H18 33 1 1 {} {0.362064336567 0.49011607891 0.614645158841} H19 34 1 1 {} {0.494818751851 0.569229629166 0.321699453758} H20 35 1 1 {} {0.477766090199 0.576440472071 0.427706625476} H21 36 1 6 {} {0.644787944242 0.639004022935 0.486148278363} C4 37 1 14 {} {0.605296467259 0.575164320667 0.438220378883} Si6 38 1 14 {} {0.642420398044 0.725641043494 0.441281365986} Si7 39 1 8 {} {0.603027988575 0.583441957228 0.328566452719} O5 40 1 8 {} {0.624980531707 0.500406732822 0.462485655524} O6 41 1 6 {} {0.548205800259 0.581305816001 0.487261828048} C5 42 1 6 {} {0.59484525807 0.77609246031 0.485996148964} C6 43 1 8 {} {0.638099851823 0.714908051246 0.330829375722} O7 44 1 8 {} {0.690065657286 0.766997547965 0.456958042852} O8 45 1 14 {} {0.635606525047 0.422544964059 0.434591599846} Si8 46 1 7 {} {0.590272478058 0.370353534718 0.452717800056} N4 47 1 14 {} {0.570716563638 0.321150542853 0.36419974007} Si9 48 1 14 {} {0.565612970061 0.367058498882 0.559221229907} Si10 49 1 7 {} {0.60081441984 0.385810392543 0.646167693831} N5 50 1 7 {} {0.605764619961 0.258460458036 0.326941169995} N6 51 1 1 {} {0.640647957359 0.640544714182 0.559224723435} H22 52 1 1 {} {0.678848430275 0.620180147108 0.473689080649} H23 53 1 1 {} {0.61532898573 0.625805967938 0.306764766584} H24 54 1 1 {} {0.548377662715 0.571335222903 0.559391142585} H25 55 1 1 {} {0.526131336404 0.54436145848 0.455480520802} H26 56 1 1 {} {0.533775271737 0.631283809843 0.476426458611} H27 57 1 1 {} {0.594099128014 0.826530833452 0.456624484521} H28 58 1 1 {} {0.59690984362 0.781616724951 0.558927306169} H29 59 1 1 {} {0.562783274117 0.751924601687 0.470795903926} H30 60 1 1 {} {0.646151349842 0.752283825229 0.292876537961} H31 61 1 1 {} {0.690395481566 0.802048044845 0.501574083409} H32 62 1 1 {} {0.647153730601 0.41748112307 0.337863342752} H33 63 1 1 {} {0.674784889337 0.402161489442 0.489379095656} H34 64 1 1 {} {0.528945378697 0.289120145787 0.397093095883} H35 65 1 1 {} {0.562558693672 0.364005373715 0.284625036858} H36 66 1 1 {} {0.528429613684 0.416449447429 0.565397405703} H37 67 1 1 {} {0.548395589336 0.297657768182 0.570922982491} H38 68 1 1 {} {0.60739724659 0.434401260276 0.661128886282} H39 69 1 1 {} {0.627825608345 0.356699902075 0.659255628409} H40 70 1 1 {} {0.630385434506 0.2695085183 0.282694292052} H41 71 1 1 {} {0.61532180938 0.220681231911 0.368191472694} 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