#MD System 2.0 @Title neb0_image08 @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 {} {0.223635475351 0.524862762643 0.341927688961} C1 1 1 14 {} {0.276462302733 0.487149236772 0.300699588889} Si1 2 1 14 {} {0.177908313107 0.534080143512 0.261771636717} Si2 3 1 8 {} {0.290930453854 0.518492173953 0.202841712391} O1 4 1 8 {} {0.311309416511 0.511116658408 0.380758014402} O2 5 1 6 {} {0.277236499537 0.394362437688 0.294533858706} C2 6 1 6 {} {0.147016078802 0.453875563844 0.243537871074} C3 7 1 8 {} {0.202866628115 0.560965168979 0.16802941569} O3 8 1 8 {} {0.142225757246 0.594457407435 0.289575816241} O4 9 1 14 {} {0.363974171668 0.536025609366 0.377008008557} Si3 10 1 7 {} {0.396195063159 0.465136032183 0.406928189196} N1 11 1 14 {} {0.447060918355 0.471936196928 0.343762073137} Si4 12 1 14 {} {0.381843970505 0.416243066532 0.501167180371} Si5 13 1 7 {} {0.355491540004 0.459043502872 0.585772847715} N2 14 1 7 {} {0.445955498387 0.558567037025 0.321245153032} N3 15 1 1 {} {0.213300093602 0.496344160238 0.401359774701} H1 16 1 1 {} {0.233467443372 0.575151117647 0.365644811245} H2 17 1 1 {} {0.266621898291 0.541226562827 0.171637623385} H3 18 1 1 {} {0.272154710086 0.371490164743 0.36031152843} H4 19 1 1 {} {0.30913214464 0.375916745575 0.268100028028} H5 20 1 1 {} {0.25089178174 0.376870686653 0.249697131595} H6 21 1 1 {} {0.12048022163 0.459739144997 0.193455635865} H7 22 1 1 {} {0.131685994733 0.436596997218 0.306302961316} H8 23 1 1 {} {0.16958451086 0.413914348039 0.220554250921} H9 24 1 1 {} {0.184491850979 0.583019970721 0.124380641345} H10 25 1 1 {} {0.114498779531 0.580972450491 0.316425730085} H11 26 1 1 {} {0.368576985376 0.553554558739 0.282203905834} H12 27 1 1 {} {0.370615913353 0.590830707565 0.435632057386} H13 28 1 1 {} {0.48071782409 0.447344392082 0.398691817433} H14 29 1 1 {} {0.448658754408 0.42977239135 0.268864308899} H15 30 1 1 {} {0.351028148945 0.363750247667 0.46960707218} H16 31 1 1 {} {0.424028482471 0.387316471712 0.537164702091} H17 32 1 1 {} {0.323370373932 0.473786018093 0.576542055489} H18 33 1 1 {} {0.372991953293 0.487005677844 0.629862876028} H19 34 1 1 {} {0.478321112629 0.576451367358 0.319050994128} H20 35 1 1 {} {0.437070430706 0.573178146858 0.338676681125} H21 36 1 6 {} {0.649998975181 0.651091554152 0.471583358276} C4 37 1 14 {} {0.610250592603 0.578330206165 0.440196732889} Si6 38 1 14 {} {0.636733441255 0.733428369856 0.422428636732} Si7 39 1 8 {} {0.588521632759 0.5903085344 0.340917587654} O5 40 1 8 {} {0.627949962354 0.500315960613 0.443026733628} O6 41 1 6 {} {0.562143946827 0.581544685399 0.519578224681} C5 42 1 6 {} {0.587380179717 0.775157801065 0.469206891628} C6 43 1 8 {} {0.631637476952 0.71694069086 0.315029204174} O7 44 1 8 {} {0.679976711132 0.778853310959 0.435326036961} O8 45 1 14 {} {0.629030917117 0.420742072299 0.419470265615} Si8 46 1 7 {} {0.580249380136 0.373999965612 0.435795999979} N4 47 1 14 {} {0.561556617268 0.324826928463 0.350870318673} Si9 48 1 14 {} {0.557159950563 0.369212823475 0.545633392846} Si10 49 1 7 {} {0.593138967296 0.386397411697 0.630876130957} N5 50 1 7 {} {0.594975466885 0.260994493413 0.310418635792} N6 51 1 1 {} {0.644992191831 0.648437424943 0.544434496322} H22 52 1 1 {} {0.684730087954 0.635852551418 0.462445496024} H23 53 1 1 {} {0.599448755872 0.62455982588 0.302124544139} H24 54 1 1 {} {0.568134760792 0.595233056043 0.578431626399} H25 55 1 1 {} {0.555757174788 0.535492749146 0.524049979483} H26 56 1 1 {} {0.53768590028 0.608197002442 0.498463644529} H27 57 1 1 {} {0.585984157885 0.824883789588 0.439124714119} H28 58 1 1 {} {0.587792932021 0.782323469819 0.541611751025} H29 59 1 1 {} {0.555870462082 0.750786795199 0.453022087937} H30 60 1 1 {} {0.635543636345 0.754780732067 0.275078065485} H31 61 1 1 {} {0.681933372399 0.810367986025 0.485787073565} H32 62 1 1 {} {0.637412933676 0.416951547115 0.320899129085} H33 63 1 1 {} {0.666715568588 0.396997527816 0.472051174142} H34 64 1 1 {} {0.51957837086 0.291635824509 0.381880697778} H35 65 1 1 {} {0.552176409927 0.366519454807 0.268873322363} H36 66 1 1 {} {0.520468569089 0.417277038549 0.556515041561} H37 67 1 1 {} {0.539214373893 0.298984585508 0.554114171801} H38 68 1 1 {} {0.597553987686 0.434195040515 0.647223287218} H39 69 1 1 {} {0.620166264007 0.358426444482 0.644519186841} H40 70 1 1 {} {0.619691191706 0.271326868104 0.265249272785} H41 71 1 1 {} {0.604321064943 0.221383128965 0.349825473185} 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