#MD System 2.0 @Title neb0_image01 @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 {} {0.202837364863 0.52915232935 0.305094785531} C1 1 1 14 {} {0.256467164351 0.491534819729 0.263293878161} Si1 2 1 14 {} {0.155975290793 0.537554484997 0.224601620932} Si2 3 1 8 {} {0.268843786686 0.52381334617 0.164818249399} O1 4 1 8 {} {0.296709003137 0.511859086845 0.333604358472} O2 5 1 6 {} {0.25426536616 0.398378345966 0.256994329518} C2 6 1 6 {} {0.124075224405 0.458069284014 0.206994040504} C3 7 1 8 {} {0.180055567715 0.563337166227 0.129852012647} O3 8 1 8 {} {0.120655786299 0.598543600354 0.252927560614} O4 9 1 14 {} {0.348068914657 0.541380631585 0.339748349642} Si3 10 1 7 {} {0.382901781103 0.478689328776 0.382063746257} N1 11 1 14 {} {0.43729626831 0.476748728905 0.341018773806} Si4 12 1 14 {} {0.362394225673 0.424123232556 0.464366202742} Si5 13 1 7 {} {0.33297295944 0.461637210378 0.549471731945} N2 14 1 7 {} {0.459768498772 0.556238660423 0.347182452846} N3 15 1 1 {} {0.191039738701 0.500987781558 0.363845436433} H1 16 1 1 {} {0.21065536341 0.580159882035 0.328729927759} H2 17 1 1 {} {0.243524547799 0.545057880417 0.134804096466} H3 18 1 1 {} {0.249000156134 0.375490242954 0.322797383039} H4 19 1 1 {} {0.285926825638 0.379183707059 0.230319912513} H5 20 1 1 {} {0.227474274432 0.381535522683 0.212261416236} H6 21 1 1 {} {0.0976166242815 0.464667726724 0.156832261757} H7 22 1 1 {} {0.108386955817 0.440673625057 0.269237111553} H8 23 1 1 {} {0.146239682007 0.417903841468 0.18346640611} H9 24 1 1 {} {0.161544573259 0.586878663925 0.0872327895413} H10 25 1 1 {} {0.0922855235126 0.585739975551 0.277980571615} H11 26 1 1 {} {0.364742612165 0.561746083878 0.250200753549} H12 27 1 1 {} {0.346450416841 0.600117422372 0.401001833768} H13 28 1 1 {} {0.461060666851 0.423758701261 0.393112687556} H14 29 1 1 {} {0.439190788943 0.459628505829 0.244031773149} H15 30 1 1 {} {0.331104060239 0.375197013235 0.423418190187} H16 31 1 1 {} {0.401819805855 0.389957983642 0.503366055888} H17 32 1 1 {} {0.301265635374 0.477705760827 0.537975481526} H18 33 1 1 {} {0.348578343112 0.492576403132 0.593187109852} H19 34 1 1 {} {0.482315270114 0.571264363651 0.300949569436} H20 35 1 1 {} {0.465533945399 0.578688636922 0.407331592} H21 36 1 6 {} {0.657740938124 0.637405090568 0.507144894518} C4 37 1 14 {} {0.618289341591 0.573060089408 0.459970869465} Si6 38 1 14 {} {0.655391104654 0.723927910221 0.461703645811} Si7 39 1 8 {} {0.615898061587 0.58098271524 0.350272879795} O5 40 1 8 {} {0.63842198316 0.498493179601 0.48454008686} O6 41 1 6 {} {0.561046524514 0.578808673834 0.50885461301} C5 42 1 6 {} {0.607638226762 0.774200629853 0.506216319129} C6 43 1 8 {} {0.652133126632 0.712345329718 0.35133920187} O7 44 1 8 {} {0.702643833688 0.766103277574 0.477565779639} O8 45 1 14 {} {0.648675257286 0.420513011093 0.456244330678} Si8 46 1 7 {} {0.603222271845 0.368503372034 0.473999828825} N4 47 1 14 {} {0.58349725724 0.319393569763 0.385241707112} Si9 48 1 14 {} {0.578441016516 0.364099147334 0.579896315341} Si10 49 1 7 {} {0.613486630937 0.383479152571 0.667407068588} N5 50 1 7 {} {0.618164995827 0.256471020801 0.34752231374} N6 51 1 1 {} {0.653945085199 0.638978719568 0.580279625758} H22 52 1 1 {} {0.691807691872 0.618755875631 0.494125839014} H23 53 1 1 {} {0.628375537229 0.623102539284 0.327951647718} H24 54 1 1 {} {0.560906656911 0.569348069541 0.581150258435} H25 55 1 1 {} {0.539138450951 0.541532118824 0.477262920503} H26 56 1 1 {} {0.54640274349 0.628550666161 0.497292844181} H27 57 1 1 {} {0.606771913737 0.824756483002 0.477122835335} H28 58 1 1 {} {0.610052325626 0.779589921814 0.579196536744} H29 59 1 1 {} {0.575467263969 0.75007730634 0.491724722061} H30 60 1 1 {} {0.659716691069 0.749945634358 0.31331208451} H31 61 1 1 {} {0.703019290223 0.80042476263 0.523339691358} H32 62 1 1 {} {0.660231934869 0.415547217489 0.359603326205} H33 63 1 1 {} {0.687731117414 0.399768610211 0.511113383151} H34 64 1 1 {} {0.541638359416 0.287805042855 0.41817775054} H35 65 1 1 {} {0.575399085268 0.3623412366 0.305534890026} H36 66 1 1 {} {0.540779988339 0.412630766814 0.58672147782} H37 67 1 1 {} {0.561938981027 0.294284906119 0.591575828838} H38 68 1 1 {} {0.619936916655 0.432113543247 0.681442468471} H39 69 1 1 {} {0.64060828097 0.354707566211 0.680611607171} H40 70 1 1 {} {0.642630253393 0.267250571086 0.302440861927} H41 71 1 1 {} {0.627445717971 0.21802541528 0.387793344105} 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