#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 {} {0.360065530355 0.551387218958 0.41367794689} C1 1 1 14 {} {0.336653775936 0.524784245495 0.524289804061} Si1 2 1 14 {} {0.421710555759 0.562147430469 0.409428875976} Si2 3 1 8 {} {0.349881928548 0.581597173916 0.600309535155} O1 4 1 8 {} {0.281865428303 0.523044464801 0.517085388584} O2 5 1 6 {} {0.355627153219 0.439558895165 0.55906590994} C2 6 1 6 {} {0.45286054722 0.481860107048 0.394823868692} C3 7 1 8 {} {0.434650388775 0.597083324065 0.508361725938} O3 8 1 8 {} {0.434815628816 0.613533916822 0.326416606072} O4 9 1 14 {} {0.231318702716 0.527639305867 0.55854191243} Si3 10 1 7 {} {0.211724169263 0.449599305068 0.592773266342} N1 11 1 14 {} {0.189308867131 0.441251373206 0.700228378151} Si4 12 1 14 {} {0.212158580969 0.381932681795 0.51768271341} Si5 13 1 7 {} {0.206127366148 0.403191372656 0.407277570131} N2 14 1 7 {} {0.138858539185 0.4802000486 0.720484819975} N3 15 1 1 {} {0.350089466833 0.515640019302 0.361358781437} H1 16 1 1 {} {0.34448537127 0.59975075167 0.396632024272} H2 17 1 1 {} {0.379785412639 0.599901742833 0.590786747401} H3 18 1 1 {} {0.346907817921 0.401027270327 0.509680100525} H4 19 1 1 {} {0.339871121227 0.425749002659 0.622704534863} H5 20 1 1 {} {0.391929365123 0.438327954371 0.56906759437} H6 21 1 1 {} {0.488951114071 0.491394157557 0.391788527741} H7 22 1 1 {} {0.443302276052 0.457546661266 0.331815247324} H8 23 1 1 {} {0.446644979432 0.446324031086 0.449343147872} H9 24 1 1 {} {0.465417726861 0.611612901864 0.514447422846} H10 25 1 1 {} {0.466818888759 0.615819136623 0.315246818456} H11 26 1 1 {} {0.229718228516 0.571911932021 0.638729905486} H12 27 1 1 {} {0.202471758363 0.555790140301 0.486870103002} H13 28 1 1 {} {0.182630900387 0.368127681999 0.714507385051} H14 29 1 1 {} {0.220837008072 0.470467227219 0.766328525717} H15 30 1 1 {} {0.255431150079 0.345264146213 0.523467746523} H16 31 1 1 {} {0.174534596344 0.33733836495 0.54431948039} H17 32 1 1 {} {0.233140373327 0.417778718942 0.371274131519} H18 33 1 1 {} {0.178134766123 0.426589271873 0.385065853016} H19 34 1 1 {} {0.138057588549 0.529826012388 0.735373871762} H20 35 1 1 {} {0.110815156326 0.466432588236 0.686945247896} H21 36 1 6 {} {0.630741528125 0.641151464303 0.349326301195} C4 37 1 14 {} {0.587614848823 0.578738245062 0.386692911086} Si6 38 1 14 {} {0.625099368401 0.729658314214 0.385823215333} Si7 39 1 8 {} {0.537439276137 0.614673559258 0.381091111662} O5 40 1 8 {} {0.588250908635 0.514198447501 0.319434695955} O6 41 1 6 {} {0.5986096671 0.546794438174 0.501605038321} C5 42 1 6 {} {0.643324467348 0.746700245663 0.502979166672} C6 43 1 8 {} {0.570255678104 0.744473511733 0.374409247879} O7 44 1 8 {} {0.652844199338 0.779057722641 0.315951415809} O8 45 1 14 {} {0.582044786972 0.453840591757 0.246540797844} Si8 46 1 7 {} {0.594666237453 0.375830071742 0.289621031241} N4 47 1 14 {} {0.550921052989 0.319380696366 0.313073582086} Si9 48 1 14 {} {0.649117930054 0.350501180099 0.314978596283} Si10 49 1 7 {} {0.690180006895 0.396793980482 0.263770569775} N5 50 1 7 {} {0.527086366194 0.276331252914 0.226176760002} N6 51 1 1 {} {0.664147451257 0.622813063202 0.368077035113} H22 52 1 1 {} {0.629979343232 0.641979820499 0.275667559913} H23 53 1 1 {} {0.53992452463 0.663758441575 0.376538993366} H24 54 1 1 {} {0.630724761227 0.520239389439 0.504480165711} H25 55 1 1 {} {0.572507309144 0.511296214372 0.522029129534} H26 56 1 1 {} {0.599523276725 0.587384282088 0.551121414454} H27 57 1 1 {} {0.638074270675 0.799480488422 0.521178970548} H28 58 1 1 {} {0.678915867284 0.735287136875 0.512336081924} H29 59 1 1 {} {0.624341554673 0.716165611049 0.550756501739} H30 60 1 1 {} {0.559814532829 0.790330181895 0.371461565959} H31 61 1 1 {} {0.670787193011 0.81470815493 0.34103555861} H32 62 1 1 {} {0.534432376733 0.451798333506 0.217773089151} H33 63 1 1 {} {0.611311538036 0.469966397753 0.169095865794} H34 64 1 1 {} {0.570915560733 0.268716332221 0.374338640261} H35 65 1 1 {} {0.514137070566 0.357296886176 0.35646180828} H36 66 1 1 {} {0.658430654237 0.356613320868 0.412458471955} H37 67 1 1 {} {0.653034382954 0.279096139887 0.286846661904} H38 68 1 1 {} {0.703573850853 0.437493257537 0.294139461809} H39 69 1 1 {} {0.69320141659 0.39961748428 0.196412096791} H40 70 1 1 {} {0.504841703073 0.299453819918 0.1853543273} H41 71 1 1 {} {0.544505136858 0.240887218825 0.192312295141} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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