#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 {} {0.360311957014 0.53100308988 0.42322847571} C1 1 1 14 {} {0.341275471869 0.498000538446 0.534284482609} Si1 2 1 14 {} {0.415553635875 0.573120061232 0.419043380768} Si2 3 1 8 {} {0.34451466913 0.558272732939 0.609550272843} O1 4 1 8 {} {0.28835444097 0.47601190976 0.526349204809} O2 5 1 6 {} {0.372909383493 0.422035132906 0.569678839975} C2 6 1 6 {} {0.464624527108 0.515520022048 0.412767661683} C3 7 1 8 {} {0.417151169018 0.617542016859 0.514139456823} O3 8 1 8 {} {0.415874140522 0.624008515791 0.331256721241} O4 9 1 14 {} {0.236025216428 0.481626443592 0.556957290392} Si3 10 1 7 {} {0.216374657018 0.402905236556 0.588390397514} N1 11 1 14 {} {0.18033836257 0.398549774149 0.680235015312} Si4 12 1 14 {} {0.231979764551 0.332893500946 0.524455506661} Si5 13 1 7 {} {0.233197987046 0.345259665774 0.410838279809} N2 14 1 7 {} {0.132831935852 0.446885050304 0.67305351292} N3 15 1 1 {} {0.359863765378 0.490570459202 0.373194897958} H1 16 1 1 {} {0.335379648381 0.568175691142 0.401229676297} H2 17 1 1 {} {0.368301815381 0.590405374313 0.596493871468} H3 18 1 1 {} {0.369588778457 0.38103711482 0.521180736193} H4 19 1 1 {} {0.360234883992 0.403978318546 0.634182727799} H5 20 1 1 {} {0.408621584384 0.433012430549 0.577972254747} H6 21 1 1 {} {0.496404864397 0.543168813891 0.411992902272} H7 22 1 1 {} {0.463198453833 0.484929976987 0.351796046879} H8 23 1 1 {} {0.465589013685 0.481358464311 0.470198592287} H9 24 1 1 {} {0.442408989214 0.646846568383 0.524426365908} H10 25 1 1 {} {0.444216274016 0.632818091656 0.302485714804} H11 26 1 1 {} {0.230236011935 0.527270179648 0.634972272057} H12 27 1 1 {} {0.210499686068 0.508168855241 0.479261048722} H13 28 1 1 {} {0.167446644967 0.32685448749 0.688367853946} H14 29 1 1 {} {0.203374050717 0.422888741212 0.762135663818} H15 30 1 1 {} {0.277905121572 0.3112048232 0.549364432469} H16 31 1 1 {} {0.198845291159 0.279475663234 0.544729217121} H17 32 1 1 {} {0.259631135208 0.369261357795 0.382898879802} H18 33 1 1 {} {0.204722774655 0.355925268399 0.376831543343} H19 34 1 1 {} {0.132633823081 0.49447106137 0.69683547525} H20 35 1 1 {} {0.110158310873 0.440950217014 0.623289947525} H21 36 1 6 {} {0.581649432059 0.351655222584 0.30863665591} C4 37 1 14 {} {0.576873145953 0.38522474851 0.425617909583} Si6 38 1 14 {} {0.565698517682 0.262568829222 0.290727301787} Si7 39 1 8 {} {0.605499235641 0.336151644788 0.493644155239} O5 40 1 8 {} {0.599520991477 0.460260526517 0.430643535987} O6 41 1 6 {} {0.517616928465 0.393924118644 0.462251415085} C5 42 1 6 {} {0.504796255825 0.251964625032 0.267087844477} C6 43 1 8 {} {0.580980309984 0.223937782601 0.384999551838} O7 44 1 8 {} {0.595416481233 0.225572858766 0.210838926854} O8 45 1 14 {} {0.643250210756 0.505109275858 0.459294084752} Si8 46 1 7 {} {0.62775700088 0.586190260291 0.486373783097} N4 47 1 14 {} {0.634002704936 0.613736146743 0.596670254136} Si9 48 1 14 {} {0.603870715327 0.639844326863 0.406884562016} Si10 49 1 7 {} {0.614859840645 0.620802446592 0.297310449121} N5 50 1 7 {} {0.687027984545 0.633551994447 0.632829952103} N6 51 1 1 {} {0.562234025039 0.383423758046 0.262694298395} H22 52 1 1 {} {0.61697686026 0.35680141086 0.289047090581} H23 53 1 1 {} {0.603948177509 0.289011549511 0.476160997222} H24 54 1 1 {} {0.498501729517 0.426900163147 0.417695122592} H25 55 1 1 {} {0.51640262405 0.415404286395 0.529768916408} H26 56 1 1 {} {0.500830264394 0.345015424801 0.464634204377} H27 57 1 1 {} {0.495459497947 0.198861746786 0.262431065987} H28 58 1 1 {} {0.495565968657 0.276147708892 0.203711398587} H29 59 1 1 {} {0.484373841002 0.274894001937 0.319814748154} H30 60 1 1 {} {0.583636692783 0.175591230241 0.382752710943} H31 61 1 1 {} {0.582207348671 0.221561489998 0.152118844638} H32 62 1 1 {} {0.665256606348 0.476294418272 0.539939181949} H33 63 1 1 {} {0.67498342791 0.504680092871 0.382650500536} H34 64 1 1 {} {0.606731970381 0.675997148303 0.603477834551} H35 65 1 1 {} {0.617877292675 0.560824720975 0.658705368826} H36 66 1 1 {} {0.554134711574 0.638929669467 0.415068264382} H37 67 1 1 {} {0.620799547757 0.708620064802 0.425592295215} H38 68 1 1 {} {0.598605784688 0.582054551798 0.267793334995} H39 69 1 1 {} {0.64654221391 0.624110756621 0.273498826927} H40 70 1 1 {} {0.708393476771 0.596396425052 0.650886136824} H41 71 1 1 {} {0.703971910684 0.672705253683 0.605766165879} 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