#MD System 2.0 @Title neb0_image07 @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 {} {0.22050953299 0.526121712105 0.334603969675} C1 1 1 14 {} {0.273967218012 0.48865372264 0.292557628312} Si1 2 1 14 {} {0.174004841578 0.534694157232 0.254176992804} Si2 3 1 8 {} {0.286901172425 0.51961874254 0.193623858166} O1 4 1 8 {} {0.312155391908 0.5120311076 0.365200107322} O2 5 1 6 {} {0.272757589218 0.395290619652 0.287085580811} C2 6 1 6 {} {0.142682131299 0.454813457351 0.236389666546} C3 7 1 8 {} {0.198406070666 0.561541034041 0.160886610641} O3 8 1 8 {} {0.138587085751 0.594824630806 0.282753232673} O4 9 1 14 {} {0.36432956234 0.537771906219 0.367962310888} Si3 10 1 7 {} {0.39651810452 0.470445132285 0.405404425094} N1 11 1 14 {} {0.445565252583 0.469427303439 0.345569441434} Si4 12 1 14 {} {0.379141142541 0.41924347011 0.494715831382} Si5 13 1 7 {} {0.350527604083 0.457970898042 0.581385899217} N2 14 1 7 {} {0.448986656926 0.562144641329 0.322443582683} N3 15 1 1 {} {0.209228095755 0.497501798961 0.393276574459} H1 16 1 1 {} {0.229031652261 0.576685718943 0.358722933139} H2 17 1 1 {} {0.261784761116 0.542129730439 0.163709034685} H3 18 1 1 {} {0.267475939249 0.372042353152 0.352763338212} H4 19 1 1 {} {0.304495103902 0.376319703623 0.260292582075} H5 20 1 1 {} {0.24602512292 0.378664160904 0.242048391544} H6 21 1 1 {} {0.116118188331 0.461095693957 0.186418188022} H7 22 1 1 {} {0.12705027849 0.437478933635 0.298776524777} H8 23 1 1 {} {0.164843953317 0.414554504556 0.213159955393} H9 24 1 1 {} {0.179457270207 0.583923177685 0.116543674657} H10 25 1 1 {} {0.110016137763 0.581612131043 0.308544198051} H11 26 1 1 {} {0.380315248327 0.557343032013 0.278040318961} H12 27 1 1 {} {0.365700847647 0.596733482404 0.431060307906} H13 28 1 1 {} {0.478886847872 0.43554325805 0.410625043863} H14 29 1 1 {} {0.451697063401 0.43400276205 0.257304861047} H15 30 1 1 {} {0.347371383874 0.367840627034 0.456433582381} H16 31 1 1 {} {0.420015403058 0.386415334334 0.533212866132} H17 32 1 1 {} {0.319598930622 0.475487650132 0.569201392743} H18 33 1 1 {} {0.366593927577 0.489481996812 0.623752705522} H19 34 1 1 {} {0.485333487416 0.561079150997 0.314490759695} H20 35 1 1 {} {0.434880002907 0.586303851861 0.386407913837} H21 36 1 6 {} {0.650967114343 0.643260915173 0.477988229748} C4 37 1 14 {} {0.609437408752 0.57986609407 0.442565180912} Si6 38 1 14 {} {0.639362105154 0.728748858554 0.431373385234} Si7 39 1 8 {} {0.592920273099 0.587576861444 0.336433056819} O5 40 1 8 {} {0.626037633089 0.501758205368 0.453888283318} O6 41 1 6 {} {0.560224558132 0.582876401748 0.514678095212} C5 42 1 6 {} {0.589856140368 0.776505054854 0.477176585992} C6 43 1 8 {} {0.633102884586 0.716288914993 0.321394239625} O7 44 1 8 {} {0.685932105834 0.773489470403 0.445563150388} O8 45 1 14 {} {0.631400841001 0.422394984125 0.426769448518} Si8 46 1 7 {} {0.585047956846 0.371518006185 0.444398801026} N4 47 1 14 {} {0.565568388965 0.321671459904 0.355558217066} Si9 48 1 14 {} {0.560563820631 0.367481350681 0.551054801687} Si10 49 1 7 {} {0.596657187991 0.386514676135 0.636658297955} N5 50 1 7 {} {0.599757778639 0.258776382191 0.316721842345} N6 51 1 1 {} {0.639862236399 0.642513297459 0.548866417004} H22 52 1 1 {} {0.6867418031 0.629902604363 0.469244904211} H23 53 1 1 {} {0.606362119219 0.624416615263 0.300759430309} H24 54 1 1 {} {0.563717269284 0.590079283074 0.590220819082} H25 55 1 1 {} {0.552601212537 0.529371681787 0.492632022049} H26 56 1 1 {} {0.536893003718 0.621304379612 0.485814968067} H27 57 1 1 {} {0.588950775213 0.827111268708 0.447618458047} H28 58 1 1 {} {0.591695923261 0.782783686856 0.55010854495} H29 59 1 1 {} {0.55740545568 0.753053518755 0.462086748392} H30 60 1 1 {} {0.640465755362 0.752962527871 0.282250292499} H31 61 1 1 {} {0.685342445871 0.805429551051 0.49327762604} H32 62 1 1 {} {0.641810142963 0.417877258094 0.328575964077} H33 63 1 1 {} {0.670543124418 0.401720451583 0.481574973827} H34 64 1 1 {} {0.523593793488 0.289734044742 0.388900549361} H35 65 1 1 {} {0.55722917713 0.365442650982 0.275734156514} H36 66 1 1 {} {0.523961323077 0.416878555345 0.561962367913} H37 67 1 1 {} {0.543231064006 0.297883660436 0.562565930672} H38 68 1 1 {} {0.601794540293 0.435281823254 0.653467180828} H39 69 1 1 {} {0.623805459829 0.357140495481 0.651940024475} H40 70 1 1 {} {0.624473202539 0.269984123172 0.273444096406} H41 71 1 1 {} {0.609402794701 0.220872219934 0.356996616339} 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