#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 {} {0.212867818513 0.527295517618 0.322458614789} C1 1 1 14 {} {0.266797128019 0.490307000715 0.280664644965} Si1 2 1 14 {} {0.166192711517 0.535767685998 0.241437511808} Si2 3 1 8 {} {0.27940793754 0.523392470213 0.182863303821} O1 4 1 8 {} {0.306792927329 0.510593362224 0.351594615785} O2 5 1 6 {} {0.264835995527 0.397133737513 0.273590348139} C2 6 1 6 {} {0.134644773052 0.456051484949 0.223722540827} C3 7 1 8 {} {0.190655146151 0.561621007379 0.147195706177} O3 8 1 8 {} {0.130842390108 0.596847196068 0.268382309624} O4 9 1 14 {} {0.358274036027 0.53949114829 0.356726963227} Si3 10 1 7 {} {0.39302581746 0.476589487621 0.398327123313} N1 11 1 14 {} {0.447088675208 0.474907544813 0.356975142861} Si4 12 1 14 {} {0.372592935199 0.422443736012 0.481250055026} Si5 13 1 7 {} {0.343508338958 0.460189198651 0.566526519624} N2 14 1 7 {} {0.468535826695 0.554648854568 0.362392952865} N3 15 1 1 {} {0.201276623175 0.498668302837 0.380904814309} H1 16 1 1 {} {0.220726901489 0.578107637424 0.346615376197} H2 17 1 1 {} {0.25389383264 0.543500551876 0.152088472621} H3 18 1 1 {} {0.259695761905 0.374132100263 0.339428268303} H4 19 1 1 {} {0.296567022243 0.378075334323 0.246856702634} H5 20 1 1 {} {0.238074215937 0.380010738819 0.228928219561} H6 21 1 1 {} {0.10813133588 0.4622518184 0.173659210616} H7 22 1 1 {} {0.119109722599 0.438304800801 0.285909927708} H8 23 1 1 {} {0.1570572661 0.416250325932 0.200090810573} H9 24 1 1 {} {0.172185846838 0.584700771742 0.103967117553} H10 25 1 1 {} {0.102463520974 0.584546619253 0.294459056158} H11 26 1 1 {} {0.374649343854 0.559466795276 0.266871005855} H12 27 1 1 {} {0.357139747765 0.598307734456 0.417709587164} H13 28 1 1 {} {0.471490813913 0.422763333162 0.410022201057} H14 29 1 1 {} {0.449585268484 0.457632974571 0.260683732631} H15 30 1 1 {} {0.341161411447 0.373228882254 0.440839806706} H16 31 1 1 {} {0.412110957091 0.38813048026 0.520382507348} H17 32 1 1 {} {0.311904672911 0.476677123015 0.555587183306} H18 33 1 1 {} {0.35950141129 0.49057434525 0.610494724237} H19 34 1 1 {} {0.492212820536 0.569660825031 0.317801599179} H20 35 1 1 {} {0.474532858321 0.576967459456 0.422248846161} H21 36 1 6 {} {0.64734621837 0.638527741615 0.490139134253} C4 37 1 14 {} {0.60797518784 0.574767288108 0.442659778633} Si6 38 1 14 {} {0.644989113298 0.725227043204 0.445418442055} Si7 39 1 8 {} {0.60540014658 0.582988350469 0.332692414667} O5 40 1 8 {} {0.627513128197 0.500020841001 0.466590670729} O6 41 1 6 {} {0.551310928091 0.580943394829 0.4924722807} C5 42 1 6 {} {0.597392938628 0.77566086297 0.490094129551} C6 43 1 8 {} {0.640618741527 0.714409381834 0.334862108303} O7 44 1 8 {} {0.692571326302 0.766544624483 0.461028241068} O8 45 1 14 {} {0.638075181753 0.422034961121 0.438643025426} Si8 46 1 7 {} {0.592854891385 0.369988191759 0.457096978165} N4 47 1 14 {} {0.573315068206 0.320499684251 0.368322455255} Si9 48 1 14 {} {0.567975253071 0.366572746145 0.562776405144} Si10 49 1 7 {} {0.603422188728 0.385366439461 0.650302616299} N5 50 1 7 {} {0.608225509019 0.258000438962 0.330974188801} N6 51 1 1 {} {0.643189009864 0.640070720888 0.563270329308} H22 52 1 1 {} {0.681392222304 0.619791656051 0.47776804917} H23 53 1 1 {} {0.617858661139 0.625361547645 0.310836626166} H24 54 1 1 {} {0.551043900028 0.571012164615 0.564049949444} H25 55 1 1 {} {0.52977624428 0.543757358332 0.460546968194} H26 56 1 1 {} {0.536442448622 0.630779859388 0.480681423605} H27 57 1 1 {} {0.596618247896 0.826067752179 0.460688494585} H28 58 1 1 {} {0.599432301647 0.78116288628 0.563048235888} H29 59 1 1 {} {0.565306959248 0.751494639675 0.474896684934} H30 60 1 1 {} {0.648686509845 0.751822188652 0.296929757839} H31 61 1 1 {} {0.692926688309 0.801577011616 0.505634960869} H32 62 1 1 {} {0.649686325688 0.417048457841 0.341947201712} H33 63 1 1 {} {0.677334986007 0.401733387793 0.493530256784} H34 64 1 1 {} {0.531489204696 0.288704042001 0.401164148995} H35 65 1 1 {} {0.565077869981 0.363554837921 0.28872335318} H36 66 1 1 {} {0.53096027061 0.415966533562 0.569645456426} H37 67 1 1 {} {0.55094669648 0.29713520308 0.575071935691} H38 68 1 1 {} {0.60991903158 0.433960752757 0.665239263324} H39 69 1 1 {} {0.630389317275 0.356224835301 0.663429289468} H40 70 1 1 {} {0.632878685174 0.269054404782 0.28676782883} H41 71 1 1 {} {0.617802640223 0.220232330757 0.372207537267} 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