#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 {} {0.354790880681 0.545419180708 0.42244769195} C1 1 1 14 {} {0.335753668091 0.512320783222 0.533496304116} Si1 2 1 14 {} {0.409909458118 0.587863227145 0.418174191533} Si2 3 1 8 {} {0.3390506153 0.572557863995 0.608758144619} O1 4 1 8 {} {0.282835252712 0.490245426419 0.525511404888} O2 5 1 6 {} {0.367415168799 0.436385684857 0.568902904453} C2 6 1 6 {} {0.458927536092 0.530393192811 0.411839841511} C3 7 1 8 {} {0.411615504487 0.632008245346 0.513454185594} O3 8 1 8 {} {0.410259179946 0.638841016423 0.330450155405} O4 9 1 14 {} {0.230530876738 0.495916148325 0.556089401491} Si3 10 1 7 {} {0.210855203485 0.417243303108 0.587557881614} N1 11 1 14 {} {0.174859367725 0.412964042625 0.679485455435} Si4 12 1 14 {} {0.226441632531 0.347200735239 0.523589042349} Si5 13 1 7 {} {0.227679240376 0.359484084086 0.409945931964} N2 14 1 7 {} {0.127317888455 0.46124650405 0.672361340729} N3 15 1 1 {} {0.354400438751 0.504978663273 0.372407808319} H1 16 1 1 {} {0.329810126445 0.582493035254 0.400426628774} H2 17 1 1 {} {0.362799807521 0.604762321778 0.595651807922} H3 18 1 1 {} {0.364079689802 0.39538047054 0.520426166878} H4 19 1 1 {} {0.354749559169 0.418344040888 0.633414855146} H5 20 1 1 {} {0.403125849063 0.447394000776 0.577157913231} H6 21 1 1 {} {0.490798396544 0.557826664287 0.411238586479} H7 22 1 1 {} {0.457480604918 0.49962631083 0.350999158901} H8 23 1 1 {} {0.459717346723 0.496383239351 0.469416273376} H9 24 1 1 {} {0.436875176416 0.661343248244 0.523593430108} H10 25 1 1 {} {0.438688071258 0.647285945382 0.301753440335} H11 26 1 1 {} {0.224766276727 0.541632835239 0.634068337034} H12 27 1 1 {} {0.205031284395 0.522565552872 0.478387402845} H13 28 1 1 {} {0.162004976739 0.341255147121 0.687676206592} H14 29 1 1 {} {0.197917284495 0.437373997675 0.761321845594} H15 30 1 1 {} {0.272385376576 0.325571982014 0.548488828059} H16 31 1 1 {} {0.193307899798 0.293825164364 0.543959070414} H17 32 1 1 {} {0.254100089741 0.383617616471 0.382130235039} H18 33 1 1 {} {0.199206395146 0.370341786103 0.376045351949} H19 34 1 1 {} {0.127167771609 0.50888220047 0.695987535524} H20 35 1 1 {} {0.104678871439 0.455321692688 0.622533570975} H21 36 1 6 {} {0.587203445263 0.337302196011 0.309411576067} C4 37 1 14 {} {0.582520389606 0.370641963711 0.426501291015} Si6 38 1 14 {} {0.571212906305 0.248257869735 0.291533848359} Si7 39 1 8 {} {0.611271627685 0.321660330741 0.494440467612} O5 40 1 8 {} {0.604993578551 0.445812333544 0.431415895118} O6 41 1 6 {} {0.523315245702 0.378984446323 0.46317779301} C5 42 1 6 {} {0.510314676883 0.237599869332 0.267976188127} C6 43 1 8 {} {0.586487754234 0.20955849259 0.38577317219} O7 44 1 8 {} {0.600904916295 0.21136955917 0.211557586402} O8 45 1 14 {} {0.648735043767 0.490698192662 0.460084858862} Si8 46 1 7 {} {0.633199341379 0.571753315556 0.487153024466} N4 47 1 14 {} {0.639684560811 0.599482463032 0.597517134756} Si9 48 1 14 {} {0.6092878093 0.625407381612 0.408127889379} Si10 49 1 7 {} {0.620442381466 0.605931382755 0.298663633269} N5 50 1 7 {} {0.692548413767 0.619405281336 0.634145836462} N6 51 1 1 {} {0.567757519722 0.369087749555 0.263513685826} H22 52 1 1 {} {0.622524185497 0.342444940259 0.289780293723} H23 53 1 1 {} {0.609528018925 0.274540012507 0.476974084884} H24 54 1 1 {} {0.504385977872 0.411798273003 0.418226335698} H25 55 1 1 {} {0.521968135473 0.400804535722 0.530495447797} H26 56 1 1 {} {0.506466668402 0.330146325979 0.465594810544} H27 57 1 1 {} {0.501045486487 0.184465751816 0.263338181381} H28 58 1 1 {} {0.50102439226 0.261726267539 0.204603833626} H29 59 1 1 {} {0.489888169082 0.260433755775 0.320763254866} H30 60 1 1 {} {0.589260300106 0.161232371579 0.383465461489} H31 61 1 1 {} {0.587692079636 0.207243550719 0.152868687213} H32 62 1 1 {} {0.670768355059 0.461943271578 0.540741614555} H33 63 1 1 {} {0.680422613516 0.490314281183 0.38340703185} H34 64 1 1 {} {0.612175962395 0.661536822889 0.603979119562} H35 65 1 1 {} {0.62334008108 0.546394893199 0.659070608036} H36 66 1 1 {} {0.559534650184 0.624743849248 0.415715648876} H37 67 1 1 {} {0.626297421254 0.694245170526 0.42600848376} H38 68 1 1 {} {0.603934347299 0.567717161732 0.268304347891} H39 69 1 1 {} {0.652051179069 0.609707159846 0.274218452797} H40 70 1 1 {} {0.713838307343 0.582121108678 0.651640247066} H41 71 1 1 {} {0.709473271803 0.658318672504 0.606748143965} 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