#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 {} {0.213066412753 0.527264009715 0.322597937188} C1 1 1 14 {} {0.266944347412 0.490192092758 0.280793214695} Si1 2 1 14 {} {0.166362868947 0.535696584206 0.241662615184} Si2 3 1 8 {} {0.279548923078 0.523054578369 0.182862719425} O1 4 1 8 {} {0.306820953988 0.510678016453 0.351898359207} O2 5 1 6 {} {0.264972381681 0.397008340444 0.273925904304} C2 6 1 6 {} {0.134811407046 0.455976584727 0.223929532517} C3 7 1 8 {} {0.190771133994 0.56168619223 0.147347415615} O3 8 1 8 {} {0.13097392314 0.596711892766 0.268842041144} O4 9 1 14 {} {0.358304697633 0.539521681568 0.356954431091} Si3 10 1 7 {} {0.392856312277 0.476296848334 0.398459935998} N1 11 1 14 {} {0.446909796169 0.474723897447 0.355977745458} Si4 12 1 14 {} {0.37266181108 0.42221137204 0.481574387249} Si5 13 1 7 {} {0.343584294204 0.460133790182 0.566981436587} N2 14 1 7 {} {0.467011123357 0.555689887757 0.359577257365} N3 15 1 1 {} {0.201426166757 0.498678070108 0.381087364818} H1 16 1 1 {} {0.220912558713 0.578115012395 0.346716433607} H2 17 1 1 {} {0.254074188096 0.543461168555 0.152208164826} H3 18 1 1 {} {0.259793144138 0.373974345669 0.339736827398} H4 19 1 1 {} {0.296686432976 0.377985088142 0.247139732226} H5 20 1 1 {} {0.238189648539 0.380022564186 0.229153848928} H6 21 1 1 {} {0.108290893963 0.462269862046 0.173893687402} H7 22 1 1 {} {0.119247432968 0.438320659715 0.286139940187} H8 23 1 1 {} {0.157165154696 0.416102179407 0.200322092274} H9 24 1 1 {} {0.172236377608 0.58473417466 0.104220869195} H10 25 1 1 {} {0.102598302788 0.584305528413 0.294843965901} H11 26 1 1 {} {0.374742290623 0.559457341989 0.267086177683} H12 27 1 1 {} {0.357283523434 0.59836939956 0.418144547613} H13 28 1 1 {} {0.471623140023 0.423331588165 0.409712500026} H14 29 1 1 {} {0.449404935011 0.456219719792 0.259528255442} H15 30 1 1 {} {0.341252605598 0.373056174743 0.441136322497} H16 31 1 1 {} {0.412278498673 0.388095109717 0.520558737383} H17 32 1 1 {} {0.311979119692 0.476657759623 0.555777880954} H18 33 1 1 {} {0.359590963955 0.49064591979 0.610783740763} H19 34 1 1 {} {0.491941360926 0.568750250786 0.316600332111} H20 35 1 1 {} {0.471988655793 0.577356341716 0.420188796094} H21 36 1 6 {} {0.647887538283 0.638958038229 0.489947266584} C4 37 1 14 {} {0.60848571571 0.575153159029 0.443184571618} Si6 38 1 14 {} {0.644927360778 0.725466787191 0.44500224879} Si7 39 1 8 {} {0.604806413145 0.583312774059 0.333469131899} O5 40 1 8 {} {0.627691339239 0.500017835793 0.466364700313} O6 41 1 6 {} {0.552068979406 0.581301609047 0.494398156325} C5 42 1 6 {} {0.597258193395 0.775712931856 0.489853848519} C6 43 1 8 {} {0.640502388245 0.714464553335 0.334592936356} O7 44 1 8 {} {0.692511810185 0.766774799961 0.460594097242} O8 45 1 14 {} {0.638056262046 0.422076407555 0.438519676872} Si8 46 1 7 {} {0.592686459402 0.36994971185 0.456680394963} N4 47 1 14 {} {0.573110212353 0.320673428725 0.368091465263} Si9 48 1 14 {} {0.567962806115 0.366608114667 0.56304694301} Si10 49 1 7 {} {0.603118084496 0.38535348647 0.649460196659} N5 50 1 7 {} {0.608054302206 0.257812347289 0.330530713775} N6 51 1 1 {} {0.64322008529 0.64013131277 0.562892329978} H22 52 1 1 {} {0.681947281094 0.620268552505 0.477557749296} H23 53 1 1 {} {0.617501549709 0.625157705687 0.310772037139} H24 54 1 1 {} {0.552003120828 0.572056663129 0.566722290893} H25 55 1 1 {} {0.531514385014 0.542532728791 0.462568280576} H26 56 1 1 {} {0.536804740065 0.630410281315 0.481577766252} H27 57 1 1 {} {0.596493539789 0.826130881211 0.460435726414} H28 58 1 1 {} {0.599312226627 0.781266480215 0.562785971091} H29 59 1 1 {} {0.565179789635 0.75158342102 0.474685622213} H30 60 1 1 {} {0.648553854633 0.751806113564 0.296553480376} H31 61 1 1 {} {0.69281844389 0.801728007678 0.505396499052} H32 62 1 1 {} {0.649532412534 0.417129220038 0.341736748355} H33 63 1 1 {} {0.677254383333 0.401828282561 0.493370969395} H34 64 1 1 {} {0.531356928929 0.28879502048 0.401068752958} H35 65 1 1 {} {0.564952116035 0.363624697762 0.288597853595} H36 66 1 1 {} {0.530739266349 0.415928303191 0.569721313711} H37 67 1 1 {} {0.55081813067 0.297087155024 0.574835098842} H38 68 1 1 {} {0.609705746185 0.434121892587 0.665070693338} H39 69 1 1 {} {0.630332369456 0.356121048645 0.663268631574} H40 70 1 1 {} {0.632652137266 0.269060426859 0.286425056512} H41 71 1 1 {} {0.617551696953 0.220144748302 0.371663773104} 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