#MD System 2.0 @Title neb0_image07 @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 {} {0.360272814522 0.530630140662 0.42329076742} C1 1 1 14 {} {0.341432649557 0.497434609096 0.534442868065} Si1 2 1 14 {} {0.414575274705 0.575299975033 0.418157040977} Si2 3 1 8 {} {0.344755445649 0.557737488448 0.609587454242} O1 4 1 8 {} {0.288615295564 0.475489272753 0.526387288419} O2 5 1 6 {} {0.373124311657 0.421458451046 0.569739386626} C2 6 1 6 {} {0.463463863751 0.519085053269 0.411629518531} C3 7 1 8 {} {0.416951438964 0.617759969494 0.515000432095} O3 8 1 8 {} {0.415133574225 0.625470242141 0.329405746168} O4 9 1 14 {} {0.23618860931 0.481010658701 0.556974740085} Si3 10 1 7 {} {0.216600426709 0.402284888185 0.588394788539} N1 11 1 14 {} {0.180592281917 0.3980066457 0.680271809689} Si4 12 1 14 {} {0.232181346995 0.332292123813 0.524399325573} Si5 13 1 7 {} {0.233398430521 0.34477089144 0.410812594965} N2 14 1 7 {} {0.133071686322 0.446361011872 0.673132152136} N3 15 1 1 {} {0.360191737113 0.490174516159 0.373266477726} H1 16 1 1 {} {0.335235702393 0.567446045001 0.401218935872} H2 17 1 1 {} {0.368546843983 0.589875929257 0.596532634007} H3 18 1 1 {} {0.369789929037 0.380437249701 0.521275315783} H4 19 1 1 {} {0.36046706078 0.403349630499 0.634253017924} H5 20 1 1 {} {0.408838096548 0.432387761039 0.578013725767} H6 21 1 1 {} {0.496099236617 0.544017312716 0.412256570343} H7 22 1 1 {} {0.461817669499 0.486969960324 0.352118814728} H8 23 1 1 {} {0.462513711438 0.486702341738 0.470355724064} H9 24 1 1 {} {0.442628861146 0.646466564476 0.524430198522} H10 25 1 1 {} {0.444326782893 0.632469969965 0.302845408874} H11 26 1 1 {} {0.230464769639 0.526680101585 0.634958089763} H12 27 1 1 {} {0.21073376627 0.507603543334 0.479246817875} H13 28 1 1 {} {0.167701314425 0.326332807208 0.688467606065} H14 29 1 1 {} {0.203632227231 0.422392337101 0.762154576421} H15 30 1 1 {} {0.278107823715 0.310620319934 0.549312157236} H16 31 1 1 {} {0.199056112196 0.278896573585 0.544763676431} H17 32 1 1 {} {0.259859459065 0.368717791432 0.382873679559} H18 33 1 1 {} {0.204910525473 0.355413705556 0.376828123554} H19 34 1 1 {} {0.132883476772 0.493983037905 0.696842065463} H20 35 1 1 {} {0.110391543578 0.440381976335 0.623375846895} H21 36 1 6 {} {0.581604742426 0.352163302036 0.308446509348} C4 37 1 14 {} {0.578075329309 0.384296546564 0.426114263789} Si6 38 1 14 {} {0.565471276998 0.263142471647 0.290600828043} Si7 39 1 8 {} {0.607055229925 0.336008324687 0.4940507477} O5 40 1 8 {} {0.599169066258 0.460695712959 0.430526869635} O6 41 1 6 {} {0.519253882562 0.389571135359 0.463995897031} C5 42 1 6 {} {0.504597165687 0.252574571697 0.267059029261} C6 43 1 8 {} {0.580598576733 0.22452761264 0.384936119216} O7 44 1 8 {} {0.595152849628 0.226122220556 0.210742439299} O8 45 1 14 {} {0.642885848733 0.505457427292 0.459231696028} Si8 46 1 7 {} {0.627428098457 0.586548565641 0.486391728254} N4 47 1 14 {} {0.633983598263 0.614362630817 0.596790879794} Si9 48 1 14 {} {0.603585892452 0.640322246896 0.407323190855} Si10 49 1 7 {} {0.614782453076 0.620855312627 0.297784954419} N5 50 1 7 {} {0.686786862576 0.634298771407 0.633370974559} N6 51 1 1 {} {0.562067493809 0.384032242835 0.262788233202} H22 52 1 1 {} {0.616823800708 0.35735778054 0.288768738488} H23 53 1 1 {} {0.603948524179 0.289074218902 0.47637066344} H24 54 1 1 {} {0.501856241075 0.420738581667 0.415685143336} H25 55 1 1 {} {0.516765914991 0.41471818324 0.529689990188} H26 56 1 1 {} {0.501295381594 0.341548095165 0.466314747552} H27 57 1 1 {} {0.495321678074 0.199424155268 0.262476634583} H28 58 1 1 {} {0.495292802053 0.276658357627 0.203686966528} H29 59 1 1 {} {0.484185614204 0.275352555483 0.319904987029} H30 60 1 1 {} {0.583505769391 0.176221270539 0.382676120607} H31 61 1 1 {} {0.581984230258 0.22212751575 0.151982727288} H32 62 1 1 {} {0.665030439753 0.476890695213 0.539831619094} H33 63 1 1 {} {0.674704673183 0.505252151419 0.382535062455} H34 64 1 1 {} {0.60649008505 0.676382146857 0.603109869848} H35 65 1 1 {} {0.617637384657 0.561430619548 0.658069329996} H36 66 1 1 {} {0.553763751766 0.639573660738 0.414820568719} H37 67 1 1 {} {0.620538791539 0.709249166316 0.425214713407} H38 68 1 1 {} {0.59835073666 0.582795411553 0.2675745015} H39 69 1 1 {} {0.646214850501 0.624665583598 0.273480155187} H40 70 1 1 {} {0.708242512497 0.596879514795 0.650890539083} H41 71 1 1 {} {0.703826334796 0.673396626173 0.605833509509} 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