#MD System 2.0 @Title neb0_image02 @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 {} {0.205110941974 0.528756936165 0.309817279622} C1 1 1 14 {} {0.259028534206 0.491704477566 0.268050078104} Si1 2 1 14 {} {0.158376561971 0.53720014661 0.228886358849} Si2 3 1 8 {} {0.271616744156 0.524717666611 0.170169572128} O1 4 1 8 {} {0.299014111079 0.511965030132 0.338934076087} O2 5 1 6 {} {0.257039366682 0.398527795734 0.26110223091} C2 6 1 6 {} {0.126835657698 0.457481814673 0.211120966007} C3 7 1 8 {} {0.182825866113 0.562923402648 0.134503839286} O3 8 1 8 {} {0.123055759575 0.598351719272 0.255920966387} O4 9 1 14 {} {0.350518902201 0.540938401978 0.344150646825} Si3 10 1 7 {} {0.385268449663 0.478052762671 0.385808133068} N1 11 1 14 {} {0.439660065031 0.476416802467 0.34475289156} Si4 12 1 14 {} {0.364903779695 0.423848788213 0.468573410892} Si5 13 1 7 {} {0.335698197964 0.461552668848 0.553969173148} N2 14 1 7 {} {0.461636316059 0.55611779344 0.350869388917} N3 15 1 1 {} {0.193483228342 0.500143011037 0.368289575646} H1 16 1 1 {} {0.212960117815 0.579608424762 0.333933073734} H2 17 1 1 {} {0.246130170505 0.544939706913 0.139419612759} H3 18 1 1 {} {0.251875447505 0.375478345953 0.326903927618} H4 19 1 1 {} {0.288765448649 0.379510149124 0.234325913804} H5 20 1 1 {} {0.230271782199 0.381509368734 0.216343602038} H6 21 1 1 {} {0.100341391259 0.463713386699 0.16103514404} H7 22 1 1 {} {0.1112795009 0.439750192591 0.273284295684} H8 23 1 1 {} {0.149241651426 0.417673817458 0.187507038595} H9 24 1 1 {} {0.164343426004 0.58615306804 0.0913866523413} H10 25 1 1 {} {0.0946663588919 0.585938263969 0.281942092051} H11 26 1 1 {} {0.366919942606 0.560985057365 0.25424930291} H12 27 1 1 {} {0.349364715212 0.599829059737 0.405224339928} H13 28 1 1 {} {0.463662847983 0.423954463929 0.397350280595} H14 29 1 1 {} {0.441759387109 0.459015424504 0.247936824783} H15 30 1 1 {} {0.333451382065 0.374698954407 0.428226169192} H16 31 1 1 {} {0.404375201564 0.389553711807 0.507785318276} H17 32 1 1 {} {0.304090758523 0.478027982916 0.542876340484} H18 33 1 1 {} {0.351669018498 0.492061965027 0.597900690971} H19 34 1 1 {} {0.484558987387 0.571037436921 0.304944106951} H20 35 1 1 {} {0.467363621877 0.578348551281 0.410788967323} H21 36 1 6 {} {0.655136559565 0.63716342374 0.502785643033} C4 37 1 14 {} {0.615633461193 0.573315620619 0.455028995026} Si6 38 1 14 {} {0.652713773419 0.723814897422 0.457966205891} Si7 39 1 8 {} {0.613176012276 0.581608839244 0.345397596106} O5 40 1 8 {} {0.635403883818 0.498564186795 0.479233534957} O6 41 1 6 {} {0.558570502814 0.579400637902 0.504294391226} C5 42 1 6 {} {0.605152731761 0.774260990961 0.502744028428} C6 43 1 8 {} {0.648413555243 0.712994309693 0.347486544871} O7 44 1 8 {} {0.700315248502 0.765225786432 0.473505832451} O8 45 1 14 {} {0.645973978168 0.420679651226 0.451284891705} Si8 46 1 7 {} {0.600653514745 0.368501298681 0.46954891031} N4 47 1 14 {} {0.581070130539 0.319234072784 0.380775880724} Si9 48 1 14 {} {0.575882668317 0.365037369674 0.575669225359} Si10 49 1 7 {} {0.611262114832 0.383978185266 0.662670470432} N5 50 1 7 {} {0.61596677376 0.256499420631 0.343393581935} N6 51 1 1 {} {0.651005505117 0.638648572045 0.575879254088} H22 52 1 1 {} {0.689211294273 0.618451047572 0.490299713873} H23 53 1 1 {} {0.625596868366 0.623862137616 0.32347681335} H24 54 1 1 {} {0.558631695766 0.569565868122 0.576453525976} H25 55 1 1 {} {0.536594904612 0.542353019576 0.472455459573} H26 56 1 1 {} {0.544082695685 0.629317896195 0.493222358955} H27 57 1 1 {} {0.604405259364 0.824664122304 0.473298542414} H28 58 1 1 {} {0.607197718604 0.779811309173 0.57567796748} H29 59 1 1 {} {0.573081149969 0.750112012859 0.487555792035} H30 60 1 1 {} {0.656484690064 0.750366513565 0.309526058352} H31 61 1 1 {} {0.70068520114 0.800187175238 0.518214758195} H32 62 1 1 {} {0.657456061543 0.41561392065 0.354604579024} H33 63 1 1 {} {0.685148983635 0.400308781365 0.506205755627} H34 64 1 1 {} {0.539294819107 0.287405271436 0.413805085075} H35 65 1 1 {} {0.572895784596 0.362171290017 0.301362966326} H36 66 1 1 {} {0.538692178306 0.414413596454 0.582285901123} H37 67 1 1 {} {0.558795707612 0.295639064477 0.587678754858} H38 68 1 1 {} {0.617635574471 0.432500868931 0.677794556272} H39 69 1 1 {} {0.63812949461 0.35484872494 0.676053384458} H40 70 1 1 {} {0.640630178303 0.267611891584 0.299213867637} H41 71 1 1 {} {0.625533547244 0.218684609992 0.38467501874} 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