#MD System 2.0 @Title neb0_image01 @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 {} {0.202557871362 0.529202694356 0.305601475944} C1 1 1 14 {} {0.256440146917 0.492106323605 0.263751266278} Si1 2 1 14 {} {0.155840917612 0.537648792725 0.22467102684} Si2 3 1 8 {} {0.269000252138 0.525173200372 0.1658682762} O1 4 1 8 {} {0.296471094836 0.51231315145 0.334632020741} O2 5 1 6 {} {0.254451576657 0.398926709856 0.256871386314} C2 6 1 6 {} {0.124255696411 0.457982847699 0.20692302481} C3 7 1 8 {} {0.180279606691 0.563384917576 0.130278480025} O3 8 1 8 {} {0.120506384155 0.59877849661 0.251819687804} O4 9 1 14 {} {0.347927448904 0.541372520595 0.339865064155} Si3 10 1 7 {} {0.382698793225 0.478527771451 0.381641440512} N1 11 1 14 {} {0.437127450124 0.476924949606 0.340754584256} Si4 12 1 14 {} {0.362288607895 0.42426920501 0.464343696335} Si5 13 1 7 {} {0.333108413394 0.46203511097 0.549726026522} N2 14 1 7 {} {0.459164266596 0.556631196039 0.346924148301} N3 15 1 1 {} {0.190882071018 0.500625232662 0.364062325499} H1 16 1 1 {} {0.210377858682 0.580066877446 0.329698554088} H2 17 1 1 {} {0.243511543955 0.545440038066 0.135188033516} H3 18 1 1 {} {0.249290277377 0.375928484603 0.322712485284} H4 19 1 1 {} {0.286175572554 0.37991979915 0.230104888531} H5 20 1 1 {} {0.227666909603 0.381917985317 0.212139136023} H6 21 1 1 {} {0.0977401838636 0.464223070571 0.156863404026} H7 22 1 1 {} {0.108699529813 0.440295132346 0.26911673872} H8 23 1 1 {} {0.146624930428 0.418122389576 0.183315081548} H9 24 1 1 {} {0.161801726532 0.586632558571 0.087208556686} H10 25 1 1 {} {0.0921176473368 0.586357646809 0.277714130291} H11 26 1 1 {} {0.364342980646 0.561452462912 0.250011618803} H12 27 1 1 {} {0.346746634931 0.600237176311 0.400955454967} H13 28 1 1 {} {0.461078347734 0.424371072255 0.393231700232} H14 29 1 1 {} {0.439183145439 0.459584251581 0.243926784575} H15 30 1 1 {} {0.330832106599 0.375147595359 0.423966879454} H16 31 1 1 {} {0.401761784833 0.390014110685 0.50354749342} H17 32 1 1 {} {0.301475432645 0.478476026704 0.538674064129} H18 33 1 1 {} {0.349073508361 0.492502765645 0.593660975403} H19 34 1 1 {} {0.481962736573 0.57155474788 0.300870046109} H20 35 1 1 {} {0.464993321594 0.578839896844 0.406918023775} H21 36 1 6 {} {0.657684001931 0.636744262107 0.507024835939} C4 37 1 14 {} {0.618211979224 0.572828878083 0.459213387693} Si6 38 1 14 {} {0.655332692012 0.723370190055 0.462079190096} Si7 39 1 8 {} {0.615970554004 0.58104133883 0.349552416273} O5 40 1 8 {} {0.638022681181 0.498122576341 0.48355209679} O6 41 1 6 {} {0.561061848455 0.57890795196 0.508273721589} C5 42 1 6 {} {0.607720032258 0.773795725542 0.506831805372} C6 43 1 8 {} {0.651300240581 0.712450844957 0.351604240038} O7 44 1 8 {} {0.702885126026 0.76488339681 0.477725709399} O8 45 1 14 {} {0.648555197087 0.420227185642 0.455617113382} Si8 46 1 7 {} {0.603172307303 0.368072872449 0.473656619231} N4 47 1 14 {} {0.58358891113 0.318879163943 0.385133585025} Si9 48 1 14 {} {0.578506341947 0.364599873756 0.580112578379} Si10 49 1 7 {} {0.613651823279 0.38342889001 0.667119443258} N5 50 1 7 {} {0.618587465258 0.256132208458 0.347799426763} N6 51 1 1 {} {0.653598794956 0.638250569223 0.580112322315} H22 52 1 1 {} {0.691762817711 0.618033999955 0.49448163475} H23 53 1 1 {} {0.628226941956 0.623419258067 0.327613937184} H24 54 1 1 {} {0.561134252617 0.569038113008 0.580447913475} H25 55 1 1 {} {0.538982855749 0.541943481365 0.476531739219} H26 56 1 1 {} {0.546590864981 0.628837520143 0.49735545778} H27 57 1 1 {} {0.606970373789 0.82423991899 0.477485488261} H28 58 1 1 {} {0.609819126212 0.779312597237 0.579780152871} H29 59 1 1 {} {0.575634831146 0.749652137841 0.491751416292} H30 60 1 1 {} {0.659140932659 0.749951099477 0.313667390929} H31 61 1 1 {} {0.703256400714 0.799789464977 0.522544901047} H32 62 1 1 {} {0.660054507964 0.415152987681 0.358866089825} H33 63 1 1 {} {0.687719093504 0.399771523196 0.510410655724} H34 64 1 1 {} {0.541808169652 0.286898092937 0.417965691477} H35 65 1 1 {} {0.575436818509 0.361682199369 0.305494795361} H36 66 1 1 {} {0.541236110237 0.413877590588 0.586351581059} H37 67 1 1 {} {0.561372404451 0.295131271618 0.591742222376} H38 68 1 1 {} {0.620236347323 0.432038423261 0.681872006696} H39 69 1 1 {} {0.64071475306 0.354384578499 0.680216745261} H40 70 1 1 {} {0.643173728397 0.267167365235 0.303401427198} H41 71 1 1 {} {0.628099754767 0.218258222142 0.388860417789} 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