#MD System 2.0 @Title neb0_image05 @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 {} {0.214150941725 0.527079578983 0.323529821989} C1 1 1 14 {} {0.268136852114 0.489724500212 0.282725185437} Si1 2 1 14 {} {0.167496501191 0.535185816658 0.243232366392} Si2 3 1 8 {} {0.28046438887 0.520418844063 0.18334278655} O1 4 1 8 {} {0.306560909776 0.511504063584 0.353798356343} O2 5 1 6 {} {0.265944723618 0.396360543889 0.276216179094} C2 6 1 6 {} {0.135958319824 0.455525979742 0.225453752835} C3 7 1 8 {} {0.19151407354 0.56219566269 0.148812869507} O3 8 1 8 {} {0.131885938788 0.595694102893 0.272244047615} O4 9 1 14 {} {0.358549919565 0.539629611214 0.357940116706} Si3 10 1 7 {} {0.391919908453 0.47442425168 0.398280117919} N1 11 1 14 {} {0.444693160061 0.472898458387 0.349522410928} Si4 12 1 14 {} {0.373285272756 0.421368032084 0.482275730966} Si5 13 1 7 {} {0.344595123975 0.459584404015 0.568736968971} N2 14 1 7 {} {0.457880957215 0.556798309386 0.3408973482} N3 15 1 1 {} {0.202705720943 0.49885080287 0.382284940673} H1 16 1 1 {} {0.222377586977 0.57787098976 0.347306973546} H2 17 1 1 {} {0.255539886537 0.542914908616 0.153237943738} H3 18 1 1 {} {0.260556847379 0.372960330147 0.341799701797} H4 19 1 1 {} {0.297627320832 0.377014901694 0.249335882281} H5 20 1 1 {} {0.2392093605 0.379798983297 0.231180167236} H6 21 1 1 {} {0.10953258421 0.462195656366 0.175611740038} H7 22 1 1 {} {0.120356753721 0.438435060543 0.287733662603} H8 23 1 1 {} {0.157943363783 0.415212019923 0.202092903217} H9 24 1 1 {} {0.172728835957 0.584923771882 0.10625066803} H10 25 1 1 {} {0.103670835891 0.582400276439 0.297714820952} H11 26 1 1 {} {0.374612526951 0.559293868642 0.26893664641} H12 27 1 1 {} {0.35846882439 0.597803699493 0.420699474808} H13 28 1 1 {} {0.472827595943 0.429594018807 0.405332587707} H14 29 1 1 {} {0.44721237323 0.44580708851 0.254922806632} H15 30 1 1 {} {0.34192468399 0.371611257978 0.444603574999} H16 31 1 1 {} {0.413232775173 0.387927748897 0.522073224738} H17 32 1 1 {} {0.312819522941 0.476337640865 0.557525310353} H18 33 1 1 {} {0.360187839843 0.490729978715 0.612399480392} H19 34 1 1 {} {0.488596004731 0.565559580554 0.313482033048} H20 35 1 1 {} {0.455491320394 0.581884168886 0.398423462286} H21 36 1 6 {} {0.651379073572 0.640338578563 0.488174388365} C4 37 1 14 {} {0.611151663834 0.577181423293 0.446036959546} Si6 38 1 14 {} {0.645087437173 0.726718181379 0.442776614579} Si7 39 1 8 {} {0.600631695826 0.585513779884 0.339240058321} O5 40 1 8 {} {0.629807969744 0.500527666367 0.465634839647} O6 41 1 6 {} {0.55785654306 0.581069832584 0.507865849891} C5 42 1 6 {} {0.596661809503 0.775896706335 0.487709448987} C6 43 1 8 {} {0.639874003474 0.715118687051 0.332512211594} O7 44 1 8 {} {0.692019069806 0.76997948458 0.456613675713} O8 45 1 14 {} {0.637723997614 0.422093676743 0.436361087193} Si8 46 1 7 {} {0.592011462755 0.37150983651 0.456011903459} N4 47 1 14 {} {0.571506709503 0.321074952219 0.364428360889} Si9 48 1 14 {} {0.567069316745 0.365627320231 0.561046726791} Si10 49 1 7 {} {0.603008936293 0.386180993514 0.648268842308} N5 50 1 7 {} {0.605892862381 0.258135055018 0.328220582421} N6 51 1 1 {} {0.645508949149 0.641792269799 0.561045597829} H22 52 1 1 {} {0.686287264546 0.6252084716 0.477521481836} H23 53 1 1 {} {0.614409722876 0.623996153711 0.311220177091} H24 54 1 1 {} {0.559467249035 0.579360352445 0.580832072307} H25 55 1 1 {} {0.540677986242 0.536543979846 0.4829191789} H26 56 1 1 {} {0.538113621157 0.626516380859 0.487860239379} H27 57 1 1 {} {0.595541149659 0.826493120918 0.458417296509} H28 58 1 1 {} {0.598518087095 0.781925296772 0.560712302599} H29 59 1 1 {} {0.564386160164 0.752004734049 0.472825926157} H30 60 1 1 {} {0.647529476736 0.751990078504 0.293238680902} H31 61 1 1 {} {0.692248571588 0.803611729415 0.503862198563} H32 62 1 1 {} {0.648458815816 0.417325238794 0.340878903126} H33 63 1 1 {} {0.67677152953 0.401339049701 0.492107332416} H34 64 1 1 {} {0.530267263159 0.2893324319 0.399901774896} H35 65 1 1 {} {0.56388715127 0.363969492872 0.287400507411} H36 66 1 1 {} {0.529284564428 0.415488148189 0.569306195545} H37 67 1 1 {} {0.550044528278 0.297135881362 0.572695786565} H38 68 1 1 {} {0.608113144605 0.433675344883 0.663384099266} H39 69 1 1 {} {0.628951559234 0.356831214877 0.661481247965} H40 70 1 1 {} {0.631199005785 0.269127965887 0.283255049364} H41 71 1 1 {} {0.615669876406 0.219150480548 0.368084509671} 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