#MD System 2.0 @Title neb0_image09 @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 {} {0.225899323592 0.524864805858 0.344424916481} C1 1 1 14 {} {0.278851195576 0.487483424216 0.302301869013} Si1 2 1 14 {} {0.179883607695 0.533408809655 0.263969095316} Si2 3 1 8 {} {0.292896249005 0.518940079831 0.20417991271} O1 4 1 8 {} {0.31488276971 0.512665117774 0.378886873954} O2 5 1 6 {} {0.278936557279 0.394148908701 0.296879008826} C2 6 1 6 {} {0.148809794241 0.453476298358 0.246235441852} C3 7 1 8 {} {0.204729037001 0.560511191843 0.170727507981} O3 8 1 8 {} {0.144576494268 0.593839136407 0.292127760144} O4 9 1 14 {} {0.367630661969 0.533621496789 0.378859321172} Si3 10 1 7 {} {0.39834099794 0.465005433342 0.409947778132} N1 11 1 14 {} {0.443868111321 0.460953877271 0.340500039833} Si4 12 1 14 {} {0.384161359978 0.418215045369 0.502748815765} Si5 13 1 7 {} {0.356810147266 0.456038118497 0.591276498541} N2 14 1 7 {} {0.440031307057 0.555633262556 0.307005037026} N3 15 1 1 {} {0.215348145761 0.496141778802 0.403454766698} H1 16 1 1 {} {0.235154574759 0.575268429723 0.368582292084} H2 17 1 1 {} {0.267912107107 0.541051368557 0.173925077385} H3 18 1 1 {} {0.273698971804 0.371232611163 0.362636554556} H4 19 1 1 {} {0.310713380861 0.375293678181 0.270204033163} H5 20 1 1 {} {0.252260597707 0.377381947857 0.251993948132} H6 21 1 1 {} {0.122278747001 0.45981944456 0.196355708134} H7 22 1 1 {} {0.133224011094 0.436210831253 0.308618798421} H8 23 1 1 {} {0.170991225795 0.413280084296 0.222943850978} H9 24 1 1 {} {0.185855336896 0.582616967676 0.126959558559} H10 25 1 1 {} {0.116326644752 0.580629162819 0.318454299636} H11 26 1 1 {} {0.381452165812 0.555050305383 0.282512947669} H12 27 1 1 {} {0.372331700175 0.594411840801 0.439935707236} H13 28 1 1 {} {0.483116586323 0.444943085269 0.40878909726} H14 29 1 1 {} {0.453573266268 0.42038601433 0.260575667496} H15 30 1 1 {} {0.352324626241 0.363516708279 0.47046370993} H16 31 1 1 {} {0.425285779428 0.385411647158 0.54254550512} H17 32 1 1 {} {0.325683423598 0.474692787181 0.580808457943} H18 33 1 1 {} {0.372633051723 0.488054329518 0.633765487322} H19 34 1 1 {} {0.476432499546 0.568926249636 0.30838854725} H20 35 1 1 {} {0.409500046029 0.597798718928 0.361673253397} H21 36 1 6 {} {0.652955484104 0.64413792794 0.468593180503} C4 37 1 14 {} {0.611111125551 0.581503471636 0.436004339587} Si6 38 1 14 {} {0.636206475612 0.729591763678 0.42114132279} Si7 39 1 8 {} {0.586300543379 0.590815605232 0.340282658562} O5 40 1 8 {} {0.624897029411 0.503321329956 0.443851522685} O6 41 1 6 {} {0.564490179046 0.582927284072 0.525232100361} C5 42 1 6 {} {0.584471726691 0.776392621888 0.466740953314} C6 43 1 8 {} {0.62801298335 0.718361627726 0.311749619566} O7 44 1 8 {} {0.680956498254 0.780785827105 0.432347358839} O8 45 1 14 {} {0.626258711042 0.424547780136 0.416736836721} Si8 46 1 7 {} {0.57922524759 0.373300049578 0.43456944772} N4 47 1 14 {} {0.559629234109 0.323286050115 0.3464779316} Si9 48 1 14 {} {0.555567484035 0.367886877732 0.543378609415} Si10 49 1 7 {} {0.59193154656 0.386652691064 0.627882696717} N5 50 1 7 {} {0.593924657686 0.2603513003 0.307348129522} N6 51 1 1 {} {0.640373690086 0.646060609483 0.537592742954} H22 52 1 1 {} {0.689955652672 0.639570098727 0.465243754309} H23 53 1 1 {} {0.597344481621 0.624060092686 0.295507764156} H24 54 1 1 {} {0.570473234648 0.601580275714 0.594985797333} H25 55 1 1 {} {0.563665656302 0.52437623013 0.515006697227} H26 56 1 1 {} {0.53603875245 0.609454471574 0.488182261224} H27 57 1 1 {} {0.583001597259 0.827490219711 0.437184090015} H28 58 1 1 {} {0.585776573561 0.783385086615 0.539859182402} H29 59 1 1 {} {0.551735362046 0.753306845214 0.451361805363} H30 60 1 1 {} {0.634081144515 0.754823905266 0.27016192579} H31 61 1 1 {} {0.67990613593 0.809856132369 0.485034714483} H32 62 1 1 {} {0.635755476194 0.417472067352 0.317692034199} H33 63 1 1 {} {0.665106071525 0.400464736907 0.471158800268} H34 64 1 1 {} {0.517446484282 0.290537379677 0.378752257733} H35 65 1 1 {} {0.550935430449 0.366335117289 0.266796537581} H36 66 1 1 {} {0.519489389141 0.41846000501 0.558258643366} H37 67 1 1 {} {0.537191286445 0.298655381345 0.552641146627} H38 68 1 1 {} {0.596084029717 0.434904272949 0.643951891859} H39 69 1 1 {} {0.619038434647 0.358619899568 0.643749559018} H40 70 1 1 {} {0.618552172466 0.271342005997 0.263144836956} H41 71 1 1 {} {0.603383390702 0.221763069778 0.347547748619} 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