#MD System 2.0 @Title neb0_image04 @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 {} {0.363639620586 0.561158527072 0.412945920921} C1 1 1 14 {} {0.340468547449 0.534584608166 0.523469620042} Si1 2 1 14 {} {0.425201721399 0.571439100552 0.408896055777} Si2 3 1 8 {} {0.353721427846 0.591432455682 0.599409483881} O1 4 1 8 {} {0.285562171208 0.532823689474 0.516328500183} O2 5 1 6 {} {0.359457146753 0.449405882597 0.558212354095} C2 6 1 6 {} {0.45586942291 0.490650920546 0.393990489275} C3 7 1 8 {} {0.438366655185 0.60630366231 0.507806632524} O3 8 1 8 {} {0.437999531051 0.622916347562 0.325701803394} O4 9 1 14 {} {0.235187284694 0.537544531832 0.557657716613} Si3 10 1 7 {} {0.215548866595 0.459519713581 0.591832403198} N1 11 1 14 {} {0.193176827187 0.451145621215 0.699353773085} Si4 12 1 14 {} {0.216060827811 0.391730219185 0.516793526247} Si5 13 1 7 {} {0.209995444563 0.412753928842 0.406287266446} N2 14 1 7 {} {0.142723221681 0.490118547208 0.719674572239} N3 15 1 1 {} {0.353823761821 0.52544070328 0.360483865285} H1 16 1 1 {} {0.34827918798 0.609641203498 0.395813226297} H2 17 1 1 {} {0.383646119581 0.609667303873 0.589855840463} H3 18 1 1 {} {0.350770972462 0.410854120456 0.50883118415} H4 19 1 1 {} {0.343699033028 0.435577143052 0.621867847127} H5 20 1 1 {} {0.395777242857 0.448150407023 0.56826980464} H6 21 1 1 {} {0.491902366764 0.500073270441 0.391152566791} H7 22 1 1 {} {0.446272432611 0.466366013983 0.330953252849} H8 23 1 1 {} {0.449433018392 0.455269409892 0.448594291757} H9 24 1 1 {} {0.469356910328 0.619826033285 0.513477465089} H10 25 1 1 {} {0.469821624715 0.622419481604 0.312433184292} H11 26 1 1 {} {0.233630786236 0.58185929491 0.637832878991} H12 27 1 1 {} {0.206347094396 0.565708182692 0.485962900348} H13 28 1 1 {} {0.186544594866 0.378078665828 0.713604090666} H14 29 1 1 {} {0.224736237759 0.480388219664 0.765327992776} H15 30 1 1 {} {0.25933526346 0.355161241959 0.522685714191} H16 31 1 1 {} {0.17842832663 0.347270719866 0.543524121645} H17 32 1 1 {} {0.237028917345 0.427632830125 0.370492802263} H18 33 1 1 {} {0.182059451735 0.436470851732 0.384314005576} H19 34 1 1 {} {0.141960854098 0.53975934389 0.734484746008} H20 35 1 1 {} {0.11469152333 0.476351008229 0.686113764341} H21 36 1 6 {} {0.627531965175 0.631479740511 0.35007166992} C4 37 1 14 {} {0.584306202332 0.569384770663 0.387664916471} Si6 38 1 14 {} {0.621651383493 0.719981738331 0.386571840318} Si7 39 1 8 {} {0.534936255115 0.60777798803 0.382405206314} O5 40 1 8 {} {0.584153156929 0.504994117506 0.320243442519} O6 41 1 6 {} {0.594836185158 0.537067045648 0.502468308541} C5 42 1 6 {} {0.639523950286 0.736942486263 0.503863559587} C6 43 1 8 {} {0.566743241532 0.734862312045 0.375397940671} O7 44 1 8 {} {0.648964335663 0.769626461323 0.316536127613} O8 45 1 14 {} {0.578090094996 0.444218490428 0.247735076233} Si8 46 1 7 {} {0.590731543565 0.36618050212 0.290814491439} N4 47 1 14 {} {0.547062096013 0.30960022194 0.313894837972} Si9 48 1 14 {} {0.645226741435 0.340808463708 0.315854959201} Si10 49 1 7 {} {0.686251052413 0.387023314902 0.264582791722} N5 50 1 7 {} {0.523231103977 0.266504228422 0.226948956158} N6 51 1 1 {} {0.661014733956 0.613319144464 0.368372162854} H22 52 1 1 {} {0.626392238885 0.632180083804 0.276449779359} H23 53 1 1 {} {0.538697051006 0.656785754674 0.378162956705} H24 54 1 1 {} {0.626852775016 0.510293874578 0.505741691249} H25 55 1 1 {} {0.568567778997 0.501720462959 0.522486192812} H26 56 1 1 {} {0.595672157748 0.577594382459 0.552075263416} H27 57 1 1 {} {0.634191166379 0.789703885871 0.522059135961} H28 58 1 1 {} {0.675090268985 0.72549831099 0.513407249848} H29 59 1 1 {} {0.620450458401 0.706334332935 0.551451285287} H30 60 1 1 {} {0.555879137066 0.780478299118 0.372137563403} H31 61 1 1 {} {0.666999351304 0.805168493845 0.341598474426} H32 62 1 1 {} {0.530492732873 0.442012389553 0.218749137948} H33 63 1 1 {} {0.607316365314 0.460157330032 0.170211195559} H34 64 1 1 {} {0.567017271997 0.258898585185 0.375274579302} H35 65 1 1 {} {0.510214200323 0.347554721676 0.357271691802} H36 66 1 1 {} {0.654577826738 0.346816325208 0.413320398028} H37 67 1 1 {} {0.649153569579 0.26937110586 0.287644473417} H38 68 1 1 {} {0.69975397045 0.427655867444 0.294924941787} H39 69 1 1 {} {0.689279281121 0.389835676721 0.197202102722} H40 70 1 1 {} {0.500920893026 0.289528591923 0.186323627427} H41 71 1 1 {} {0.540625353923 0.231083550394 0.193197917156} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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