#MD System 2.0 @Title neb0_image08 @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 {} {0.220776064797 0.525841541676 0.335302682236} C1 1 1 14 {} {0.274750992503 0.488823069831 0.293470661114} Si1 2 1 14 {} {0.174110109483 0.534323248109 0.254266113341} Si2 3 1 8 {} {0.287322575932 0.521987127975 0.195672762572} O1 4 1 8 {} {0.314715711527 0.509208731494 0.364377793631} O2 5 1 6 {} {0.272753236986 0.395664589833 0.286406946807} C2 6 1 6 {} {0.142549915579 0.454611358757 0.23654318658} C3 7 1 8 {} {0.198597711124 0.560200430152 0.159999452698} O3 8 1 8 {} {0.138744659833 0.595413238072 0.281172462695} O4 9 1 14 {} {0.366179683062 0.537904117454 0.369542230788} Si3 10 1 7 {} {0.401032565974 0.475147079561 0.41107611977} N1 11 1 14 {} {0.453991099049 0.472581693142 0.368753074568} Si4 12 1 14 {} {0.38036164508 0.421177249014 0.494482551965} Si5 13 1 7 {} {0.351445992594 0.458659511727 0.579289352511} N2 14 1 7 {} {0.473124503084 0.552955705282 0.370819714336} N3 15 1 1 {} {0.209184280617 0.497217416991 0.393743242271} H1 16 1 1 {} {0.228626632587 0.576652586066 0.35944977384} H2 17 1 1 {} {0.261788313456 0.542046559712 0.164912261358} H3 18 1 1 {} {0.267604183976 0.372695067501 0.352264989105} H4 19 1 1 {} {0.304477949005 0.376639716921 0.259651992923} H5 20 1 1 {} {0.245987220845 0.378557764262 0.241728857873} H6 21 1 1 {} {0.116038587883 0.460789070262 0.186470466345} H7 22 1 1 {} {0.127019298537 0.436849718708 0.298715815006} H8 23 1 1 {} {0.164965122397 0.414804980431 0.212905204754} H9 24 1 1 {} {0.180103787218 0.583240145106 0.116780253547} H10 25 1 1 {} {0.110370539919 0.58310326785 0.307260773879} H11 26 1 1 {} {0.382566657697 0.558036890526 0.279644472206} H12 27 1 1 {} {0.365059700243 0.596880747291 0.430532345712} H13 28 1 1 {} {0.479430470759 0.421629053169 0.422699727974} H14 29 1 1 {} {0.457559362568 0.456101584419 0.273388581525} H15 30 1 1 {} {0.349087612634 0.37177442753 0.453619175201} H16 31 1 1 {} {0.420043783176 0.386682830556 0.53313547754} H17 32 1 1 {} {0.319858723619 0.475203582551 0.568378341117} H18 33 1 1 {} {0.367398267475 0.489079290783 0.623250830596} H19 34 1 1 {} {0.499756883733 0.568307355317 0.330455602633} H20 35 1 1 {} {0.479608276707 0.576277311514 0.432032877128} H21 36 1 6 {} {0.639544987773 0.640001130703 0.477257093648} C4 37 1 14 {} {0.600425708447 0.576354412976 0.430564967948} Si6 38 1 14 {} {0.637103264044 0.726645486942 0.432628879994} Si7 39 1 8 {} {0.597330343501 0.584397914313 0.319920939226} O5 40 1 8 {} {0.619569528411 0.501582112852 0.453717359948} O6 41 1 6 {} {0.546038445581 0.583230095557 0.483098689357} C5 42 1 6 {} {0.589478061073 0.77710776093 0.477248948339} C6 43 1 8 {} {0.632736537581 0.715826117484 0.322034995022} O7 44 1 8 {} {0.684647664341 0.767995937092 0.448214129072} O8 45 1 14 {} {0.630136890643 0.423269979243 0.425828899234} Si8 46 1 7 {} {0.58494174614 0.371577187068 0.444509248128} N4 47 1 14 {} {0.565549051865 0.321606638117 0.355376667765} Si9 48 1 14 {} {0.559995159266 0.367989458636 0.549675593784} Si10 49 1 7 {} {0.595554552538 0.386811783552 0.63749416461} N5 50 1 7 {} {0.60027520022 0.25947219055 0.318132868792} N6 51 1 1 {} {0.635247791427 0.64150450769 0.550413800382} H22 52 1 1 {} {0.673518973565 0.621254973322 0.464953745317} H23 53 1 1 {} {0.609940737143 0.626854172259 0.298024187182} H24 54 1 1 {} {0.543465405708 0.572626167452 0.552282751153} H25 55 1 1 {} {0.525525619309 0.544240185598 0.450805717369} H26 56 1 1 {} {0.528813161196 0.632155450507 0.468103772458} H27 57 1 1 {} {0.588705954462 0.827518589696 0.447887930732} H28 58 1 1 {} {0.591520147773 0.782610763713 0.550217971349} H29 59 1 1 {} {0.557387643092 0.752943038666 0.462084606906} H30 60 1 1 {} {0.64076860649 0.753279902388 0.28412219144} H31 61 1 1 {} {0.685013143992 0.803040695514 0.492829368552} H32 62 1 1 {} {0.641774239881 0.418519519889 0.329147398495} H33 63 1 1 {} {0.669421406363 0.403213027687 0.480719561178} H34 64 1 1 {} {0.523565293269 0.290182151314 0.388398747128} H35 65 1 1 {} {0.557151496751 0.365052078107 0.275947844782} H36 66 1 1 {} {0.523141802716 0.417400062558 0.557090095284} H37 67 1 1 {} {0.54302161557 0.298614492826 0.562325469018} H38 68 1 1 {} {0.602012497035 0.4354629184 0.652505116424} H39 69 1 1 {} {0.622531654401 0.357625702091 0.650661722157} H40 70 1 1 {} {0.624949270972 0.270513577231 0.274029690189} H41 71 1 1 {} {0.609882134945 0.221754712466 0.359356821446} 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