#MD System 2.0 @Title neb0_image06 @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 {} {0.218647323867 0.526385545614 0.330661135595} C1 1 1 14 {} {0.27215337832 0.488886084154 0.289650620634} Si1 2 1 14 {} {0.172094348619 0.534184069137 0.250155154637} Si2 3 1 8 {} {0.284350975484 0.517695314692 0.189224990912} O1 4 1 8 {} {0.311201707101 0.512760639578 0.360343278608} O2 5 1 6 {} {0.270987375445 0.395635251048 0.284430066594} C2 6 1 6 {} {0.140415358596 0.454721424895 0.232492342279} C3 7 1 8 {} {0.196762760212 0.562880707328 0.157869648569} O3 8 1 8 {} {0.13657120643 0.593306107391 0.280362794011} O4 9 1 14 {} {0.362929458524 0.53989347917 0.365198533746} Si3 10 1 7 {} {0.393324904545 0.471867824705 0.405886228323} N1 11 1 14 {} {0.440476454972 0.466066358597 0.338397210885} Si4 12 1 14 {} {0.377223181947 0.419900038984 0.493538390688} Si5 13 1 7 {} {0.348160060206 0.458395851082 0.578808552621} N2 14 1 7 {} {0.432603356101 0.566420856546 0.29985287054} N3 15 1 1 {} {0.207320415384 0.497855112116 0.389308776034} H1 16 1 1 {} {0.227241778986 0.577167994064 0.354114100136} H2 17 1 1 {} {0.259996149001 0.54249406874 0.159947570654} H3 18 1 1 {} {0.26552596911 0.371778108449 0.349394990646} H4 19 1 1 {} {0.302488688317 0.375815246344 0.25784126349} H5 20 1 1 {} {0.244094013088 0.379356294771 0.239602288834} H6 21 1 1 {} {0.113836823373 0.461850901599 0.182767204723} H7 22 1 1 {} {0.124742713931 0.438068290722 0.295202063753} H8 23 1 1 {} {0.162318611 0.414180213714 0.209432240922} H9 24 1 1 {} {0.17743314885 0.584226210827 0.113942389378} H10 25 1 1 {} {0.107817558885 0.580850222028 0.306010054607} H11 26 1 1 {} {0.379187670247 0.558627216116 0.276808499491} H12 27 1 1 {} {0.363568202161 0.597221844688 0.428226776284} H13 28 1 1 {} {0.477146242086 0.436241975093 0.407918350822} H14 29 1 1 {} {0.450558730968 0.434617394938 0.251499727724} H15 30 1 1 {} {0.3462131215 0.369988803447 0.452561598834} H16 31 1 1 {} {0.418172826623 0.387167838948 0.529187350411} H17 32 1 1 {} {0.31725479239 0.475886242294 0.565309903684} H18 33 1 1 {} {0.364156229641 0.490548857501 0.620509354751} H19 34 1 1 {} {0.485473967339 0.557941194765 0.313814270267} H20 35 1 1 {} {0.42315124223 0.585682993726 0.366951856997} H21 36 1 6 {} {0.652232229755 0.643684110756 0.480511114043} C4 37 1 14 {} {0.615088584529 0.580648504564 0.446541922127} Si6 38 1 14 {} {0.640860848787 0.727900811997 0.433987180912} Si7 39 1 8 {} {0.592714844661 0.587743600748 0.33873780531} O5 40 1 8 {} {0.62778040443 0.500960398275 0.45641648547} O6 41 1 6 {} {0.57086441497 0.589270884426 0.531814607481} C5 42 1 6 {} {0.591645625942 0.776498817642 0.479565431491} C6 43 1 8 {} {0.637763690337 0.714353919132 0.32373055165} O7 44 1 8 {} {0.686901534582 0.772328833336 0.450289678424} O8 45 1 14 {} {0.633538668736 0.421944138587 0.43109124011} Si8 46 1 7 {} {0.586814458573 0.370329110843 0.445435727697} N4 47 1 14 {} {0.56781333374 0.322095623689 0.360380790971} Si9 48 1 14 {} {0.562482094806 0.367742744629 0.557529999536} Si10 49 1 7 {} {0.598170483412 0.386262340781 0.63733822916} N5 50 1 7 {} {0.601610703995 0.257861220659 0.318900664287} N6 51 1 1 {} {0.640443590146 0.641635403458 0.551579692657} H22 52 1 1 {} {0.686774646374 0.62895085727 0.471023698501} H23 53 1 1 {} {0.608973710851 0.623406878799 0.303772015099} H24 54 1 1 {} {0.566138953958 0.58919455265 0.60583946261} H25 55 1 1 {} {0.572596383718 0.524108502945 0.50689563073} H26 56 1 1 {} {0.541068480787 0.621695984447 0.49006130906} H27 57 1 1 {} {0.590634791871 0.827212926435 0.450208276416} H28 58 1 1 {} {0.593764670262 0.782548512317 0.552731735443} H29 59 1 1 {} {0.558994442576 0.75350458466 0.465532780744} H30 60 1 1 {} {0.642995089949 0.752626344403 0.285332065226} H31 61 1 1 {} {0.686941045495 0.804922348536 0.496997735083} H32 62 1 1 {} {0.643587568984 0.418131189026 0.331738384119} H33 63 1 1 {} {0.672529193275 0.402633547561 0.48482235492} H34 64 1 1 {} {0.525966329855 0.290307927495 0.392441723751} H35 65 1 1 {} {0.559362796289 0.364991642461 0.280606354925} H36 66 1 1 {} {0.524711963835 0.41686578613 0.566945946449} H37 67 1 1 {} {0.545034896369 0.296872174484 0.566550395027} H38 68 1 1 {} {0.603171520988 0.434212582404 0.656746578914} H39 69 1 1 {} {0.624852767113 0.357496441477 0.655394973751} H40 70 1 1 {} {0.626293994429 0.270034325879 0.275491238238} H41 71 1 1 {} {0.610958478753 0.219758945239 0.359601424924} 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