#MD System 2.0 @Title neb0_image09 @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 {} {0.224124045186 0.525231061224 0.340635833275} C1 1 1 14 {} {0.278110816063 0.48833316457 0.29898804742} Si1 2 1 14 {} {0.177480769023 0.533666354168 0.259689546074} Si2 3 1 8 {} {0.290604722527 0.52117301885 0.200963834259} O1 4 1 8 {} {0.317783117968 0.508749666472 0.369908218157} O2 5 1 6 {} {0.276122774972 0.395069819775 0.291883132492} C2 6 1 6 {} {0.145898070992 0.453975222119 0.24192388092} C3 7 1 8 {} {0.201952596168 0.559780373256 0.165485340685} O3 8 1 8 {} {0.142065074868 0.594719605147 0.286702534484} O4 9 1 14 {} {0.369302900739 0.537924418696 0.374416269682} Si3 10 1 7 {} {0.402330329648 0.473419872411 0.417523296781} N1 11 1 14 {} {0.455408070747 0.471432607524 0.369703293797} Si4 12 1 14 {} {0.38338871453 0.419566482163 0.500457614467} Si5 13 1 7 {} {0.354677874616 0.45830242032 0.585042152399} N2 14 1 7 {} {0.466600585017 0.555835130949 0.360353924097} N3 15 1 1 {} {0.212539694811 0.496603147804 0.399119157397} H1 16 1 1 {} {0.232010246505 0.576065503491 0.364821122708} H2 17 1 1 {} {0.26514528909 0.541430743265 0.170275885337} H3 18 1 1 {} {0.270957655468 0.37202540246 0.357680718072} H4 19 1 1 {} {0.307829167469 0.375965417681 0.265146102915} H5 20 1 1 {} {0.24934350336 0.377964503654 0.247200717689} H6 21 1 1 {} {0.119377042099 0.460204594496 0.191870670557} H7 22 1 1 {} {0.130369642245 0.436274962959 0.304140299728} H8 23 1 1 {} {0.168300068697 0.414161638457 0.218344141626} H9 24 1 1 {} {0.183413641422 0.582676675827 0.12221053493} H10 25 1 1 {} {0.113703271283 0.582374443841 0.312793831912} H11 26 1 1 {} {0.385555872 0.557223542196 0.284899173317} H12 27 1 1 {} {0.368497772946 0.596106740275 0.435984381074} H13 28 1 1 {} {0.482361530389 0.423053374902 0.426149452358} H14 29 1 1 {} {0.460501055891 0.451578986028 0.273761493885} H15 30 1 1 {} {0.352337512852 0.370868750949 0.459415982121} H16 31 1 1 {} {0.423409615241 0.386031636443 0.538500326877} H17 32 1 1 {} {0.323132700113 0.474515082467 0.573850261104} H18 33 1 1 {} {0.370719241965 0.488490796463 0.628848834038} H19 34 1 1 {} {0.498257875495 0.565503203904 0.333768426299} H20 35 1 1 {} {0.46863049112 0.57681411745 0.421850365081} H21 36 1 6 {} {0.63875728223 0.642180937035 0.471948994714} C4 37 1 14 {} {0.601511979609 0.578756365794 0.42619914971} Si6 38 1 14 {} {0.633928956982 0.727671633543 0.426770939859} Si7 39 1 8 {} {0.593235841623 0.585675969473 0.317368836054} O5 40 1 8 {} {0.616809885811 0.501332803703 0.447908231193} O6 41 1 6 {} {0.547538467556 0.587034239777 0.488110684745} C5 42 1 6 {} {0.586164155835 0.777573502577 0.471807438357} C6 43 1 8 {} {0.629504645501 0.716313081524 0.316542459151} O7 44 1 8 {} {0.681341015617 0.768942780915 0.442667880325} O8 45 1 14 {} {0.626984805515 0.423706727961 0.420443320806} Si8 46 1 7 {} {0.581554565164 0.371940520475 0.43857601668} N4 47 1 14 {} {0.562086611864 0.322677858998 0.350121650213} Si9 48 1 14 {} {0.557108762989 0.368402473107 0.545566277278} Si10 49 1 7 {} {0.592498011848 0.387322542548 0.63180945319} N5 50 1 7 {} {0.597003701802 0.259945457227 0.312613097073} N6 51 1 1 {} {0.631964520985 0.641860012578 0.544166523667} H22 52 1 1 {} {0.672066116078 0.622760969135 0.45969242076} H23 53 1 1 {} {0.60596049184 0.62668126051 0.29315403024} H24 54 1 1 {} {0.543599042081 0.575728507386 0.559192849974} H25 55 1 1 {} {0.536538739923 0.540911122936 0.457396704586} H26 56 1 1 {} {0.528298531222 0.63038801922 0.465895782543} H27 57 1 1 {} {0.585388468069 0.828071219059 0.442398711657} H28 58 1 1 {} {0.588161824282 0.783234875667 0.544764537107} H29 59 1 1 {} {0.554033331196 0.753626780015 0.456691990423} H30 60 1 1 {} {0.637380436819 0.753793285467 0.278682492791} H31 61 1 1 {} {0.681649919653 0.803805446561 0.487429091809} H32 62 1 1 {} {0.638393224467 0.419122777714 0.323674032318} H33 63 1 1 {} {0.666110865092 0.403857012896 0.47533106217} H34 64 1 1 {} {0.520285852077 0.290712079696 0.382933921333} H35 65 1 1 {} {0.553826643437 0.365577657316 0.270804040926} H36 66 1 1 {} {0.520105622119 0.418054832146 0.553153524402} H37 67 1 1 {} {0.539636372678 0.299112288604 0.556874772675} H38 68 1 1 {} {0.598621557185 0.435804431398 0.647083424026} H39 69 1 1 {} {0.619230281796 0.358344761526 0.645458826711} H40 70 1 1 {} {0.62163661125 0.27113126597 0.268374732395} H41 71 1 1 {} {0.606517353938 0.222135002613 0.353891412251} 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