#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 {} {0.205082389039 0.528746168188 0.309816415761} C1 1 1 14 {} {0.25902046957 0.491746896221 0.268065744734} Si1 2 1 14 {} {0.158366035515 0.537196297125 0.228870114709} Si2 3 1 8 {} {0.271611185102 0.524790569424 0.170247271614} O1 4 1 8 {} {0.299042921714 0.511980730181 0.338956864464} O2 5 1 6 {} {0.257054161583 0.398564171866 0.261046353032} C2 6 1 6 {} {0.126844093403 0.457474165556 0.211108210751} C3 7 1 8 {} {0.182854429666 0.562954033594 0.134529585325} O3 8 1 8 {} {0.123050221604 0.598369826271 0.255842125522} O4 9 1 14 {} {0.35049259236 0.540911820628 0.344108261551} Si3 10 1 7 {} {0.385244349446 0.478046419096 0.385757700802} N1 11 1 14 {} {0.439656505945 0.47640433641 0.344802952248} Si4 12 1 14 {} {0.364882403699 0.423829947636 0.468510999489} Si5 13 1 7 {} {0.335711454109 0.461575704114 0.553944149215} N2 14 1 7 {} {0.461634329502 0.556116113793 0.350930454891} N3 15 1 1 {} {0.193482353031 0.500107022877 0.368298953535} H1 16 1 1 {} {0.212953512526 0.579583102462 0.333972470414} H2 17 1 1 {} {0.246115337216 0.54494624506 0.13944172217} H3 18 1 1 {} {0.251894691582 0.375524906976 0.326843408514} H4 19 1 1 {} {0.288763536055 0.379515873782 0.234291381974} H5 20 1 1 {} {0.23028122244 0.381475361559 0.216331654264} H6 21 1 1 {} {0.100338331924 0.463700385321 0.161032235086} H7 22 1 1 {} {0.11130127755 0.439746246804 0.273288644957} H8 23 1 1 {} {0.149259850431 0.417679733592 0.187489042961} H9 24 1 1 {} {0.164377520523 0.586134545448 0.091380944403} H10 25 1 1 {} {0.0946707977403 0.585968332362 0.281886031272} H11 26 1 1 {} {0.36689284157 0.56094138512 0.254232593993} H12 27 1 1 {} {0.349359850344 0.59980490345 0.40517623418} H13 28 1 1 {} {0.46366401653 0.424023691553 0.397385455679} H14 29 1 1 {} {0.441769007328 0.45907924362 0.248002621647} H15 30 1 1 {} {0.333422576456 0.374703118339 0.428253969096} H16 31 1 1 {} {0.40434890759 0.389551718993 0.507799187177} H17 32 1 1 {} {0.30409165784 0.47807886404 0.542933839474} H18 33 1 1 {} {0.351691128565 0.492039239453 0.597901952625} H19 34 1 1 {} {0.484522517109 0.571089447522 0.305036344966} H20 35 1 1 {} {0.467417807037 0.578357708917 0.410837540021} H21 36 1 6 {} {0.655109714144 0.63712231771 0.502809730531} C4 37 1 14 {} {0.61562273581 0.573261631404 0.454981437234} Si6 38 1 14 {} {0.652705754665 0.723744781683 0.457951987982} Si7 39 1 8 {} {0.613245409935 0.581582253052 0.34533926647} O5 40 1 8 {} {0.635364111062 0.498554374634 0.479202445135} O6 41 1 6 {} {0.558551365437 0.579417861098 0.504157412165} C5 42 1 6 {} {0.605160607918 0.774237557588 0.502739992062} C6 43 1 8 {} {0.648423426049 0.71301144028 0.347516832059} O7 44 1 8 {} {0.700343158915 0.765171350098 0.473556808473} O8 45 1 14 {} {0.645990173843 0.420695329902 0.451387235666} Si8 46 1 7 {} {0.600626318542 0.368395299209 0.469185430519} N4 47 1 14 {} {0.581057765564 0.319336088881 0.380928818729} Si9 48 1 14 {} {0.575975223698 0.365149582567 0.576127995486} Si10 49 1 7 {} {0.611111548468 0.383912683641 0.662573663963} N5 50 1 7 {} {0.616032729678 0.25648157319 0.343505786027} N6 51 1 1 {} {0.650990375837 0.638644383456 0.575884233311} H22 52 1 1 {} {0.689191286561 0.618389902333 0.490349223147} H23 53 1 1 {} {0.62562326396 0.623893913819 0.323457271973} H24 54 1 1 {} {0.558643932376 0.569511135237 0.576332958593} H25 55 1 1 {} {0.536541215142 0.542405863612 0.472328714276} H26 56 1 1 {} {0.544082798879 0.629349627425 0.493185160854} H27 57 1 1 {} {0.604404623344 0.824654285804 0.47329685584} H28 58 1 1 {} {0.607204105726 0.779771488724 0.575684439991} H29 59 1 1 {} {0.573099831959 0.750085900756 0.487532262173} H30 60 1 1 {} {0.656476177736 0.750370852226 0.309549022558} H31 61 1 1 {} {0.700700172334 0.800190111125 0.518261497365} H32 62 1 1 {} {0.657450416778 0.415594450835 0.35456775705} H33 63 1 1 {} {0.685107966524 0.400298807495 0.506129343349} H34 64 1 1 {} {0.539300426624 0.287344223544 0.413777983175} H35 65 1 1 {} {0.572887088072 0.362118547346 0.301395002401} H36 66 1 1 {} {0.538692064327 0.414498881472 0.58222368454} H37 67 1 1 {} {0.558751227852 0.295657538704 0.587660213184} H38 68 1 1 {} {0.617678980608 0.432466161293 0.677794495839} H39 69 1 1 {} {0.638137808916 0.354855545185 0.676024413972} H40 70 1 1 {} {0.640659345186 0.267632497536 0.299276259173} H41 71 1 1 {} {0.625568421049 0.218736417611 0.384779056404} 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