#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 {} {0.205192376671 0.528922558346 0.309601315182} C1 1 1 14 {} {0.259130626247 0.491634769464 0.26827776835} Si1 2 1 14 {} {0.158357524448 0.537146085078 0.22893604213} Si2 3 1 8 {} {0.271542976453 0.523823578537 0.169762163398} O1 4 1 8 {} {0.299138249539 0.511938700451 0.33861981857} O2 5 1 6 {} {0.256968028722 0.398435010261 0.261530150193} C2 6 1 6 {} {0.126761345491 0.457482028277 0.211273554456} C3 7 1 8 {} {0.182598864787 0.562729299357 0.134326246738} O3 8 1 8 {} {0.123139109848 0.598202861265 0.256749686488} O4 9 1 14 {} {0.350682680852 0.54111251911 0.344413621516} Si3 10 1 7 {} {0.385423395387 0.478340177288 0.386073263953} N1 11 1 14 {} {0.439636729501 0.476114123936 0.344348718007} Si4 12 1 14 {} {0.36513544328 0.423959040246 0.468703958215} Si5 13 1 7 {} {0.335649164964 0.461258382615 0.554111724713} N2 14 1 7 {} {0.461637096196 0.555709781039 0.350156493286} N3 15 1 1 {} {0.193578132329 0.500452314882 0.368159712679} H1 16 1 1 {} {0.213128986615 0.579789751355 0.33351460051} H2 17 1 1 {} {0.246325176293 0.544818718616 0.139197938321} H3 18 1 1 {} {0.25172616139 0.37511314987 0.327108599491} H4 19 1 1 {} {0.288692264444 0.379292405242 0.234787173333} H5 20 1 1 {} {0.230230112924 0.381648442772 0.216590212312} H6 21 1 1 {} {0.100369130586 0.463919676585 0.161037346957} H7 22 1 1 {} {0.111080458491 0.439810562333 0.273348815632} H8 23 1 1 {} {0.149122513652 0.417590571406 0.187686740758} H9 24 1 1 {} {0.164049204911 0.58626967137 0.0915700225119} H10 25 1 1 {} {0.0946948905402 0.585636010599 0.282440198172} H11 26 1 1 {} {0.367091064558 0.561286269926 0.254866018501} H12 27 1 1 {} {0.349392388522 0.599841283935 0.405498385963} H13 28 1 1 {} {0.463614170473 0.423645627446 0.396758053708} H14 29 1 1 {} {0.441649134352 0.458524147886 0.247705479578} H15 30 1 1 {} {0.33378661602 0.374763754836 0.428137438001} H16 31 1 1 {} {0.404650584648 0.389539632252 0.507816259841} H17 32 1 1 {} {0.304074463823 0.477619199426 0.542482343202} H18 33 1 1 {} {0.351385902961 0.492280070701 0.597862937443} H19 34 1 1 {} {0.484843872917 0.570676304555 0.304715907594} H20 35 1 1 {} {0.466994747824 0.578389343883 0.409820878237} H21 36 1 6 {} {0.655263494259 0.637343428251 0.502610086483} C4 37 1 14 {} {0.615672239061 0.573479908792 0.45552019965} Si6 38 1 14 {} {0.652604205124 0.72401298792 0.457771412853} Si7 39 1 8 {} {0.612531422179 0.581854104476 0.346047149046} O5 40 1 8 {} {0.635772048418 0.498754924313 0.479328059439} O6 41 1 6 {} {0.558792794683 0.579318629137 0.50549240057} C5 42 1 6 {} {0.605067546677 0.774513135293 0.502774848371} C6 43 1 8 {} {0.648336598424 0.713026007602 0.347370855098} O7 44 1 8 {} {0.700155047554 0.765805335527 0.472859162691} O8 45 1 14 {} {0.646099686023 0.420755808414 0.45146066831} Si8 46 1 7 {} {0.600865647085 0.368559871855 0.469409670662} N4 47 1 14 {} {0.581189037749 0.319340935298 0.380442545771} Si9 48 1 14 {} {0.575752659478 0.364575047776 0.574795980484} Si10 49 1 7 {} {0.611993345371 0.384361303958 0.662710342722} N5 50 1 7 {} {0.615416112419 0.256535341761 0.342474303787} N6 51 1 1 {} {0.651227067514 0.638766069413 0.575740381498} H22 52 1 1 {} {0.689391168266 0.619079435703 0.489875152148} H23 53 1 1 {} {0.625328002237 0.623650884859 0.323578961449} H24 54 1 1 {} {0.55856221284 0.570038632241 0.577707961185} H25 55 1 1 {} {0.537108471335 0.541865120187 0.473717203727} H26 56 1 1 {} {0.544041158738 0.629018986838 0.493534312991} H27 57 1 1 {} {0.604342674258 0.824876240593 0.473178810767} H28 58 1 1 {} {0.607137176141 0.780161391026 0.575726321514} H29 59 1 1 {} {0.57294683039 0.750395426396 0.487729675326} H30 60 1 1 {} {0.656539947004 0.750265303438 0.309276098162} H31 61 1 1 {} {0.700583173882 0.800402170964 0.51800045445} H32 62 1 1 {} {0.657481163701 0.415729866256 0.354740146878} H33 63 1 1 {} {0.685300637304 0.400484287402 0.506440081219} H34 64 1 1 {} {0.539290081373 0.287982546803 0.413853357929} H35 65 1 1 {} {0.572992734515 0.362507469457 0.301313009168} H36 66 1 1 {} {0.538529459428 0.413708288189 0.582691451851} H37 67 1 1 {} {0.559143280146 0.295181747199 0.587690862009} H38 68 1 1 {} {0.617303075073 0.432339145521 0.677609231099} H39 69 1 1 {} {0.637965510005 0.355180329797 0.676221600784} H40 70 1 1 {} {0.640354640292 0.267484808153 0.29845348319} H41 71 1 1 {} {0.625123951971 0.218232160946 0.383672369581} 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