#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 {} {0.215593198818 0.526781543592 0.326780376606} C1 1 1 14 {} {0.269529532931 0.489811293453 0.285028428119} Si1 2 1 14 {} {0.168900554641 0.535231303194 0.245832086959} Si2 3 1 8 {} {0.28208449873 0.522788799288 0.187129081553} O1 4 1 8 {} {0.309441133654 0.510173269537 0.355882688287} O2 5 1 6 {} {0.267565907928 0.3966090442 0.278037867186} C2 6 1 6 {} {0.137332834035 0.455537084446 0.228056520881} C3 7 1 8 {} {0.193403321203 0.561215774748 0.151604710877} O3 8 1 8 {} {0.133523432143 0.596300625459 0.272835960554} O4 9 1 14 {} {0.360930666775 0.539109033813 0.361001015096} Si3 10 1 7 {} {0.395331219334 0.475897345222 0.402914484527} N1 11 1 14 {} {0.449526561462 0.474034934286 0.360679453797} Si4 12 1 14 {} {0.375263145311 0.421770197093 0.485689173982} Si5 13 1 7 {} {0.346156787398 0.459678852225 0.571062772694} N2 14 1 7 {} {0.469576591631 0.554964272383 0.364005865689} N3 15 1 1 {} {0.203971901625 0.498182032199 0.385271853683} H1 16 1 1 {} {0.22343536326 0.577626070194 0.350947179152} H2 17 1 1 {} {0.25659117053 0.543009787337 0.156434227418} H3 18 1 1 {} {0.262395080523 0.373602103023 0.343857933357} H4 19 1 1 {} {0.299276890824 0.377563009185 0.251264362739} H5 20 1 1 {} {0.240780545805 0.379541597818 0.233336149506} H6 21 1 1 {} {0.110814008525 0.461769264058 0.178016742761} H7 22 1 1 {} {0.12180210927 0.437836943433 0.290271456371} H8 23 1 1 {} {0.159737770636 0.415728866204 0.204464260321} H9 24 1 1 {} {0.174878531189 0.584216072289 0.10836466117} H10 25 1 1 {} {0.10514073985 0.583983999627 0.29889264774} H11 26 1 1 {} {0.377343088753 0.558990855211 0.271215771328} H12 27 1 1 {} {0.359866923498 0.597862534876 0.422190651019} H13 28 1 1 {} {0.474148263934 0.422742814357 0.414021899647} H14 29 1 1 {} {0.452169492053 0.456387187799 0.26397498977} H15 30 1 1 {} {0.343873787788 0.37274467541 0.445280863604} H16 31 1 1 {} {0.414820061305 0.387663134858 0.524727761976} H17 32 1 1 {} {0.314536902746 0.476203909321 0.55992850052} H18 33 1 1 {} {0.362197375158 0.490149829854 0.614968211521} H19 34 1 1 {} {0.494486077986 0.568678105098 0.321480747443} H20 35 1 1 {} {0.47494868925 0.576727224094 0.424431861428} H21 36 1 6 {} {0.645035124975 0.639278667523 0.485821103195} C4 37 1 14 {} {0.6059397716 0.575519413236 0.438389095617} Si6 38 1 14 {} {0.642259593005 0.725726192701 0.440893653367} Si7 39 1 8 {} {0.602502289517 0.583648971193 0.328913647681} O5 40 1 8 {} {0.624989114922 0.50037744683 0.462161190945} O6 41 1 6 {} {0.549583450415 0.582014330861 0.489791098311} C5 42 1 6 {} {0.594673452724 0.776128291308 0.485680240431} C6 43 1 8 {} {0.638074310748 0.714843983878 0.330459935627} O7 44 1 8 {} {0.689853687235 0.767115119702 0.456655182842} O8 45 1 14 {} {0.635492822065 0.422502206678 0.434335489306} Si8 46 1 7 {} {0.590088787648 0.37033091669 0.452347177406} N4 47 1 14 {} {0.570547463929 0.321219777 0.363918079013} Si9 48 1 14 {} {0.565445927239 0.367037716618 0.559139993005} Si10 49 1 7 {} {0.600777999691 0.38588020299 0.645670697151} N5 50 1 7 {} {0.605515581998 0.258402804967 0.326475984886} N6 51 1 1 {} {0.640499461607 0.640544818097 0.558787430009} H22 52 1 1 {} {0.678997337649 0.620457872006 0.473418753991} H23 53 1 1 {} {0.61505079669 0.625677806283 0.306577749666} H24 54 1 1 {} {0.549050130083 0.572013870139 0.561983396516} H25 55 1 1 {} {0.529088326234 0.543254720899 0.45799536683} H26 56 1 1 {} {0.53415241285 0.631007649232 0.476922398865} H27 57 1 1 {} {0.593910911882 0.826570926317 0.456298910943} H28 58 1 1 {} {0.59672933305 0.781671882826 0.558624957016} H29 59 1 1 {} {0.562592175966 0.752028693464 0.47054112568} H30 60 1 1 {} {0.645986617549 0.752303662336 0.292524258793} H31 61 1 1 {} {0.690207640152 0.802145957332 0.501314366459} H32 62 1 1 {} {0.646956729166 0.417564761677 0.337592156573} H33 63 1 1 {} {0.674641242249 0.402277104428 0.489151273673} H34 64 1 1 {} {0.528821945635 0.289221822053 0.396845124848} H35 65 1 1 {} {0.562400222858 0.364013069415 0.284518496197} H36 66 1 1 {} {0.528186707878 0.41654783633 0.565516011686} H37 67 1 1 {} {0.548217798726 0.297623685347 0.570716745561} H38 68 1 1 {} {0.607150075606 0.434254755942 0.660846203272} H39 69 1 1 {} {0.627566570607 0.356825637578 0.659003854074} H40 70 1 1 {} {0.630209672441 0.269572859627 0.282257095245} H41 71 1 1 {} {0.615108219694 0.220584135645 0.367836644084} 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