#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 {} {0.218146617229 0.526321794679 0.331002984604} C1 1 1 14 {} {0.272093192229 0.489357552696 0.289222401881} Si1 2 1 14 {} {0.171463575462 0.534816750624 0.250006221883} Si2 3 1 8 {} {0.284688826584 0.522417249859 0.191398219984} O1 4 1 8 {} {0.312068558033 0.509674242783 0.360131899207} O2 5 1 6 {} {0.270136967466 0.396161657869 0.282166517089} C2 6 1 6 {} {0.139933297972 0.455093859874 0.232274927506} C3 7 1 8 {} {0.195969343687 0.560695609351 0.15575864728} O3 8 1 8 {} {0.136120654644 0.595901093998 0.276961066345} O4 9 1 14 {} {0.363565087622 0.538528718338 0.365181668145} Si3 10 1 7 {} {0.398037960615 0.475494063406 0.407084485641} N1 11 1 14 {} {0.45189176297 0.473234412839 0.364842434903} Si4 12 1 14 {} {0.377847528611 0.421429247867 0.489882251091} Si5 13 1 7 {} {0.348757886794 0.45921693113 0.575156096757} N2 14 1 7 {} {0.472070876365 0.554412267864 0.368107291128} N3 15 1 1 {} {0.206553602603 0.497696333021 0.389491616215} H1 16 1 1 {} {0.226007687108 0.577142617835 0.355184814795} H2 17 1 1 {} {0.259162241349 0.542532881224 0.160641283951} H3 18 1 1 {} {0.264978240896 0.373168246402 0.347993585299} H4 19 1 1 {} {0.301851251479 0.377116933727 0.255407524207} H5 20 1 1 {} {0.243357731153 0.379043934986 0.237474806467} H6 21 1 1 {} {0.113413726668 0.46127706834 0.182217673354} H7 22 1 1 {} {0.124392839375 0.437341729247 0.294459321601} H8 23 1 1 {} {0.162338760962 0.415287991757 0.208656749688} H9 24 1 1 {} {0.177463314154 0.583740238025 0.112506511038} H10 25 1 1 {} {0.107733095448 0.583565293959 0.303024792861} H11 26 1 1 {} {0.379927017064 0.558502511405 0.275390954284} H12 27 1 1 {} {0.362439889369 0.597332548622 0.426275387364} H13 28 1 1 {} {0.476759352724 0.422136391272 0.418361723485} H14 29 1 1 {} {0.454867676324 0.456353252765 0.26873878278} H15 30 1 1 {} {0.346458103902 0.37227572883 0.449399313747} H16 31 1 1 {} {0.417385630333 0.387188816705 0.528881633988} H17 32 1 1 {} {0.317179763519 0.475701977956 0.56411937175} H18 33 1 1 {} {0.364783586307 0.489600539062 0.619058542288} H19 34 1 1 {} {0.496951374553 0.56840786643 0.326405793965} H20 35 1 1 {} {0.477636460315 0.576199138291 0.428103434782} H21 36 1 6 {} {0.642257327829 0.639616749907 0.481613539156} C4 37 1 14 {} {0.603234324394 0.575932045436 0.434183520218} Si6 38 1 14 {} {0.639685764373 0.726140469569 0.436804205688} Si7 39 1 8 {} {0.599958505198 0.584053878844 0.32445999987} O5 40 1 8 {} {0.622286609842 0.500875257643 0.457992335294} O6 41 1 6 {} {0.547235988223 0.582817803195 0.485469176473} C5 42 1 6 {} {0.592100413117 0.77660267427 0.481553371586} C6 43 1 8 {} {0.635335425623 0.715374888507 0.326328171237} O7 44 1 8 {} {0.687276510422 0.767542919474 0.452473061125} O8 45 1 14 {} {0.632837762365 0.42303397492 0.430217889895} Si8 46 1 7 {} {0.587530437394 0.370842382576 0.448233147032} N4 47 1 14 {} {0.568061233651 0.321531236526 0.359795297554} Si9 48 1 14 {} {0.562800004658 0.367564306539 0.554647197328} Si10 49 1 7 {} {0.598085011894 0.386285842068 0.641440921595} N5 50 1 7 {} {0.602986979263 0.258844998115 0.322313166252} N6 51 1 1 {} {0.637896624533 0.641018989051 0.554623339864} H22 52 1 1 {} {0.676229497784 0.620801794247 0.469214138222} H23 53 1 1 {} {0.612517257202 0.626227155176 0.30237031411} H24 54 1 1 {} {0.546182844323 0.57215578716 0.557332145636} H25 55 1 1 {} {0.526952985909 0.544017930647 0.454134788655} H26 56 1 1 {} {0.53155046311 0.631309390551 0.472528892607} H27 57 1 1 {} {0.59133991791 0.827036847784 0.452138413695} H28 58 1 1 {} {0.594147390773 0.782137042238 0.554493162663} H29 59 1 1 {} {0.560027119886 0.752474531819 0.466348175845} H30 60 1 1 {} {0.643392319029 0.752768521433 0.288397258226} H31 61 1 1 {} {0.687641802507 0.802572319497 0.497095406987} H32 62 1 1 {} {0.644390297269 0.418025786648 0.333407014864} H33 63 1 1 {} {0.672040558056 0.402741190457 0.484948855415} H34 64 1 1 {} {0.526232493057 0.289690072618 0.392646933067} H35 65 1 1 {} {0.559808050624 0.364503359728 0.280294641304} H36 66 1 1 {} {0.525688006118 0.4169815552 0.561297478619} H37 67 1 1 {} {0.545645956967 0.298095871935 0.566555371314} H38 68 1 1 {} {0.604637055491 0.434902070786 0.656734937919} H39 69 1 1 {} {0.625130347882 0.35719250658 0.654896779686} H40 70 1 1 {} {0.62759873162 0.270037785918 0.278207639024} H41 71 1 1 {} {0.612522355754 0.221185515129 0.363646711656} 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