#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 {} {0.212958464883 0.527282687338 0.322520713323} C1 1 1 14 {} {0.26687930738 0.490271351214 0.280756700395} Si1 2 1 14 {} {0.166265263949 0.535718628788 0.241539868715} Si2 3 1 8 {} {0.279458622024 0.523253532114 0.182868429574} O1 4 1 8 {} {0.306792316652 0.510604605923 0.351690040539} O2 5 1 6 {} {0.264896325543 0.3970854716 0.273731327254} C2 6 1 6 {} {0.134712728185 0.456013191369 0.223812494654} C3 7 1 8 {} {0.190717340915 0.561644619932 0.147268767539} O3 8 1 8 {} {0.130905567953 0.596792412733 0.268569896669} O4 9 1 14 {} {0.358293588841 0.539513146421 0.35680853624} Si3 10 1 7 {} {0.392888697668 0.476450657566 0.398500072577} N1 11 1 14 {} {0.447046309868 0.474722145488 0.356695430794} Si4 12 1 14 {} {0.372634464911 0.422322151342 0.481360852374} Si5 13 1 7 {} {0.343529143142 0.460162832084 0.56672080943} N2 14 1 7 {} {0.467887442393 0.555192541918 0.361118891958} N3 15 1 1 {} {0.201337918883 0.49866482989 0.380983710115} H1 16 1 1 {} {0.220809386085 0.578121105267 0.346664385617} H2 17 1 1 {} {0.253975991363 0.543486119231 0.152140887385} H3 18 1 1 {} {0.259741416423 0.374065831 0.33955069393} H4 19 1 1 {} {0.296617546602 0.378038498841 0.246984423579} H5 20 1 1 {} {0.238121590764 0.380015799486 0.229023130496} H6 21 1 1 {} {0.108201721367 0.46226366714 0.173764445032} H7 22 1 1 {} {0.11916911743 0.438313100275 0.286010311903} H8 23 1 1 {} {0.157105276834 0.416196136752 0.200193046201} H9 24 1 1 {} {0.172202510203 0.5847233098 0.104056491604} H10 25 1 1 {} {0.102514592175 0.584449994292 0.294626957691} H11 26 1 1 {} {0.374698714974 0.559466518027 0.266979494244} H12 27 1 1 {} {0.357203680852 0.598338538417 0.417893550745} H13 28 1 1 {} {0.471532391791 0.42300244482 0.40989284146} H14 29 1 1 {} {0.449544220644 0.457090628078 0.260115314781} H15 30 1 1 {} {0.341223454711 0.373198018432 0.440959734581} H16 31 1 1 {} {0.412182312907 0.388121957374 0.520444333235} H17 32 1 1 {} {0.311932082072 0.476671588483 0.555660941048} H18 33 1 1 {} {0.359552096981 0.490619751743 0.610641488797} H19 34 1 1 {} {0.492100107882 0.569271084263 0.317353035411} H20 35 1 1 {} {0.473453791382 0.57707653956 0.421360019042} H21 36 1 6 {} {0.647549683895 0.638734104956 0.490059788532} C4 37 1 14 {} {0.608230979248 0.574968263585 0.442724511009} Si6 38 1 14 {} {0.644929234663 0.725300518112 0.445210048209} Si7 39 1 8 {} {0.605153423102 0.583139162807 0.333035405171} O5 40 1 8 {} {0.627561648183 0.499976007189 0.466497575658} O6 41 1 6 {} {0.551669276559 0.581196802132 0.493270973425} C5 42 1 6 {} {0.597334234821 0.775677650078 0.489997421289} C6 43 1 8 {} {0.640570031646 0.714437123552 0.334759430552} O7 44 1 8 {} {0.692547436294 0.766627407963 0.460870725907} O8 45 1 14 {} {0.638095460396 0.422078882539 0.438582912668} Si8 46 1 7 {} {0.592785529047 0.36993351449 0.456799365298} N4 47 1 14 {} {0.573219955805 0.320626191333 0.368184970246} Si9 48 1 14 {} {0.56797804613 0.36654475113 0.563009997438} Si10 49 1 7 {} {0.60341241431 0.385395985654 0.649994649094} N5 50 1 7 {} {0.60812188532 0.257951638184 0.330748249045} N6 51 1 1 {} {0.643171862339 0.640080420289 0.563095677406} H22 52 1 1 {} {0.681568010098 0.619956126446 0.477652235159} H23 53 1 1 {} {0.617712563934 0.625248757644 0.31081818614} H24 54 1 1 {} {0.551398819595 0.571392647584 0.565326409229} H25 55 1 1 {} {0.530609883621 0.543200044909 0.461338851164} H26 56 1 1 {} {0.536603130181 0.630666950406 0.481017565709} H27 57 1 1 {} {0.596562570911 0.826094794534 0.460576270772} H28 58 1 1 {} {0.599375850885 0.78120654633 0.562941168252} H29 59 1 1 {} {0.565257328556 0.751540514455 0.474810158229} H30 60 1 1 {} {0.648627662151 0.75180453032 0.296790002817} H31 61 1 1 {} {0.692876375545 0.801620979358 0.505520049818} H32 62 1 1 {} {0.649612013614 0.417087406346 0.341876165909} H33 63 1 1 {} {0.677282070005 0.401796155971 0.493447717136} H34 64 1 1 {} {0.531444180603 0.288752088113 0.401120218009} H35 65 1 1 {} {0.565032691763 0.363545122093 0.288751581529} H36 66 1 1 {} {0.530833310653 0.415998504572 0.569694312503} H37 67 1 1 {} {0.550891295573 0.297120021298 0.574973275633} H38 68 1 1 {} {0.609807259465 0.433866429212 0.665112514949} H39 69 1 1 {} {0.630251757169 0.356300983206 0.663304095098} H40 70 1 1 {} {0.632803122102 0.269075903315 0.286581819276} H41 71 1 1 {} {0.617711347574 0.220134585742 0.372051778814} 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