#MD System 2.0 @Title neb0_image05 @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 {} {0.213370547015 0.527276934295 0.32288690277} C1 1 1 14 {} {0.267177905903 0.490069696168 0.281308526867} Si1 2 1 14 {} {0.166699474405 0.535535396184 0.242003648353} Si2 3 1 8 {} {0.279735747495 0.522352856187 0.183009000652} O1 4 1 8 {} {0.307021354241 0.510840864236 0.352368089123} O2 5 1 6 {} {0.265240709742 0.396902539015 0.274499895206} C2 6 1 6 {} {0.135125707046 0.455856182723 0.22438505552} C3 7 1 8 {} {0.190992820255 0.56180385999 0.147800676292} O3 8 1 8 {} {0.131298521926 0.596283180163 0.269703923185} O4 9 1 14 {} {0.358495424964 0.539550423436 0.357519382138} Si3 10 1 7 {} {0.392709901854 0.475999653726 0.398802441711} N1 11 1 14 {} {0.446003559303 0.473872710434 0.353862524265} Si4 12 1 14 {} {0.372858026882 0.422069461415 0.482303235517} Si5 13 1 7 {} {0.343756379199 0.459967418089 0.567642965595} N2 14 1 7 {} {0.463483629356 0.556597921769 0.353436952288} N3 15 1 1 {} {0.201758499912 0.498665008402 0.381353130604} H1 16 1 1 {} {0.221329196376 0.578106186953 0.346908121837} H2 17 1 1 {} {0.25448976804 0.543374405725 0.15245630229} H3 18 1 1 {} {0.260032940226 0.373691870612 0.340139361329} H4 19 1 1 {} {0.296924750929 0.377724000125 0.247790371047} H5 20 1 1 {} {0.238451141629 0.380011563788 0.2297036457} H6 21 1 1 {} {0.108612229106 0.462326019352 0.174351272821} H7 22 1 1 {} {0.119519255279 0.438339623996 0.286653957427} H8 23 1 1 {} {0.157404375257 0.415878414893 0.20080205511} H9 24 1 1 {} {0.17235375738 0.584799570965 0.10470510536} H10 25 1 1 {} {0.102883114351 0.583893495314 0.295583385558} H11 26 1 1 {} {0.374896494543 0.559420931907 0.267838403583} H12 27 1 1 {} {0.357585135043 0.598252173494 0.41869656645} H13 28 1 1 {} {0.471915250915 0.424533968082 0.409137923639} H14 29 1 1 {} {0.449290977268 0.454243009125 0.258515909072} H15 30 1 1 {} {0.341506448089 0.372837432105 0.441706539609} H16 31 1 1 {} {0.41260481186 0.388000870602 0.520860773116} H17 32 1 1 {} {0.312235995252 0.47660692727 0.55622438528} H18 33 1 1 {} {0.359741266658 0.490712083901 0.611213187726} H19 34 1 1 {} {0.49140356837 0.567612281667 0.316115804167} H20 35 1 1 {} {0.467469394669 0.578052859825 0.414498261872} H21 36 1 6 {} {0.648510207089 0.639430851062 0.489370286478} C4 37 1 14 {} {0.609277666553 0.575734876631 0.444152158764} Si6 38 1 14 {} {0.644819399494 0.725753417379 0.444345005955} Si7 39 1 8 {} {0.6036332539 0.583803095276 0.334528303751} O5 40 1 8 {} {0.627880552566 0.500174759785 0.465941412834} O6 41 1 6 {} {0.554137715315 0.582143400302 0.498746177111} C5 42 1 6 {} {0.597027522191 0.775854228807 0.489384872146} C6 43 1 8 {} {0.640248699105 0.714543547924 0.333978730992} O7 44 1 8 {} {0.692331940401 0.767258695588 0.459834643047} O8 45 1 14 {} {0.637843864588 0.422156913745 0.438316960136} Si8 46 1 7 {} {0.592439341885 0.369981455661 0.456126527243} N4 47 1 14 {} {0.572958539244 0.320670673455 0.367880753543} Si9 48 1 14 {} {0.567487638725 0.366660377814 0.562229674914} Si10 49 1 7 {} {0.60299159336 0.385405872441 0.648611717107} N5 50 1 7 {} {0.607547292195 0.257743682506 0.329598860025} N6 51 1 1 {} {0.643286965678 0.640265456573 0.562144804931} H22 52 1 1 {} {0.682603275355 0.62112899782 0.477166936659} H23 53 1 1 {} {0.616910141772 0.624925041647 0.310542557009} H24 54 1 1 {} {0.553421828631 0.573646910114 0.571111168967} H25 55 1 1 {} {0.53581377332 0.540820059176 0.467290166831} H26 56 1 1 {} {0.53745141098 0.629627976817 0.482925974651} H27 57 1 1 {} {0.59620577135 0.826254940318 0.459864908199} H28 58 1 1 {} {0.599047232772 0.78143888817 0.562338577685} H29 59 1 1 {} {0.564919951952 0.751784759825 0.474248844689} H30 60 1 1 {} {0.648288600541 0.751799981723 0.295804558586} H31 61 1 1 {} {0.692599187416 0.801946045024 0.504837338553} H32 62 1 1 {} {0.649244195972 0.417287546932 0.341218234171} H33 63 1 1 {} {0.677075117881 0.402007776325 0.493051661808} H34 64 1 1 {} {0.531088175853 0.2890024698 0.400717952958} H35 65 1 1 {} {0.564662896159 0.363754916024 0.28825761201} H36 66 1 1 {} {0.530357918314 0.415844693433 0.569919732707} H37 67 1 1 {} {0.550597419164 0.29691183085 0.5744441111} H38 68 1 1 {} {0.609300016224 0.434177057702 0.664636443479} H39 69 1 1 {} {0.630058480412 0.356202785445 0.662956180289} H40 70 1 1 {} {0.632186929043 0.269103240297 0.285763194883} H41 71 1 1 {} {0.617045242477 0.219993928817 0.370733454889} 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