#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 {} {0.205316773611 0.52898461506 0.309394662145} C1 1 1 14 {} {0.259268901666 0.491510175452 0.268268913614} Si1 2 1 14 {} {0.158373980916 0.53706981284 0.229022535559} Si2 3 1 8 {} {0.271590649684 0.523077528905 0.169498371635} O1 4 1 8 {} {0.299286134746 0.512051677193 0.338468590064} O2 5 1 6 {} {0.256935118311 0.398301301082 0.261877693245} C2 6 1 6 {} {0.126718774552 0.457494621775 0.211442548668} C3 7 1 8 {} {0.18241896701 0.562755862551 0.134162209209} O3 8 1 8 {} {0.123190093799 0.59810496644 0.257439654774} O4 9 1 14 {} {0.350741639635 0.541085324825 0.344601227303} Si3 10 1 7 {} {0.385498650187 0.47851805495 0.386318878981} N1 11 1 14 {} {0.439640772228 0.475907189181 0.344179341965} Si4 12 1 14 {} {0.365266097051 0.423998541377 0.468622158999} Si5 13 1 7 {} {0.33572835591 0.461134488869 0.55424615146} N2 14 1 7 {} {0.461758471229 0.555436127563 0.349363379181} N3 15 1 1 {} {0.193689215784 0.500783951377 0.368212609294} H1 16 1 1 {} {0.213234789706 0.579900209424 0.333217079473} H2 17 1 1 {} {0.246434729216 0.544616217636 0.139111120408} H3 18 1 1 {} {0.251576836923 0.374898911396 0.327383022421} H4 19 1 1 {} {0.288628715626 0.379112046666 0.235124861742} H5 20 1 1 {} {0.230196862596 0.381659319511 0.216774295948} H6 21 1 1 {} {0.100405578966 0.464058555425 0.161095574818} H7 22 1 1 {} {0.11092184174 0.439847044897 0.273389919147} H8 23 1 1 {} {0.149010430519 0.417536577789 0.187882450661} H9 24 1 1 {} {0.163828336221 0.586333388941 0.0917670143288} H10 25 1 1 {} {0.0947544082194 0.585387081385 0.282836222441} H11 26 1 1 {} {0.367271958717 0.561560951347 0.255263647552} H12 27 1 1 {} {0.349379007351 0.599891387238 0.405870423057} H13 28 1 1 {} {0.463621690965 0.423369771002 0.396290582033} H14 29 1 1 {} {0.441515941268 0.458108305943 0.247475007039} H15 30 1 1 {} {0.334053982311 0.374742883931 0.428076223149} H16 31 1 1 {} {0.404871911301 0.38961888092 0.507951705567} H17 32 1 1 {} {0.304037397287 0.477223817516 0.542126975964} H18 33 1 1 {} {0.351165878683 0.49241068444 0.597843344216} H19 34 1 1 {} {0.485077886652 0.570304758501 0.304525019689} H20 35 1 1 {} {0.466692008641 0.578437461864 0.409168572481} H21 36 1 6 {} {0.655360923865 0.637541176544 0.502558888908} C4 37 1 14 {} {0.615712406148 0.573611128689 0.455971050191} Si6 38 1 14 {} {0.652509256966 0.724224471535 0.457538857073} Si7 39 1 8 {} {0.612016008514 0.582052844866 0.346634431203} O5 40 1 8 {} {0.635988596067 0.498912357842 0.479405931558} O6 41 1 6 {} {0.55893363028 0.579265928241 0.506300911829} C5 42 1 6 {} {0.6049619819 0.774691055351 0.502684485455} C6 43 1 8 {} {0.648228173195 0.713152286379 0.347272544938} O7 44 1 8 {} {0.700044388947 0.766196770464 0.472204042126} O8 45 1 14 {} {0.646307009013 0.420847665002 0.451500500203} Si8 46 1 7 {} {0.600991339022 0.368556062372 0.469029861228} N4 47 1 14 {} {0.580983293606 0.319738043893 0.379997241271} Si9 48 1 14 {} {0.576176560568 0.364409710306 0.575575480387} Si10 49 1 7 {} {0.611327224515 0.384249823722 0.661300146203} N5 50 1 7 {} {0.615221477873 0.256149420407 0.341969231493} N6 51 1 1 {} {0.651454303367 0.638953277844 0.57569555394} H22 52 1 1 {} {0.689540683445 0.619531542545 0.489484705905} H23 53 1 1 {} {0.625040437963 0.623461667235 0.323739781923} H24 54 1 1 {} {0.558643515459 0.570389683597 0.578684623673} H25 55 1 1 {} {0.537400777669 0.541415410439 0.474847481516} H26 56 1 1 {} {0.544003269093 0.628737391606 0.493759614395} H27 57 1 1 {} {0.604269830351 0.825087312839 0.473097512329} H28 58 1 1 {} {0.60712082164 0.780441569772 0.575629601376} H29 59 1 1 {} {0.572811753376 0.750616101864 0.48784839685} H30 60 1 1 {} {0.656563956108 0.750138192366 0.309098614502} H31 61 1 1 {} {0.700497399584 0.800711820121 0.517954246005} H32 62 1 1 {} {0.657535212439 0.415827305827 0.354999081917} H33 63 1 1 {} {0.685366342951 0.40062550097 0.506452609991} H34 64 1 1 {} {0.539253746535 0.288409276174 0.413896033432} H35 65 1 1 {} {0.573094416226 0.362784640632 0.301311181901} H36 66 1 1 {} {0.538384923596 0.413083430018 0.58277367918} H37 67 1 1 {} {0.559432484773 0.294823425799 0.587553446137} H38 68 1 1 {} {0.617207390964 0.43300817672 0.677833410484} H39 69 1 1 {} {0.638469510979 0.354935391499 0.67664773284} H40 70 1 1 {} {0.640062706908 0.267333707322 0.297842811916} H41 71 1 1 {} {0.624659381688 0.218156844089 0.382422581119} 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