#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 {} {0.223042005528 0.524622209252 0.338524669344} C1 1 1 14 {} {0.277141011599 0.486792693685 0.297954490207} Si1 2 1 14 {} {0.175433056047 0.534058976831 0.256812614601} Si2 3 1 8 {} {0.288175610395 0.522471884248 0.201995868092} O1 4 1 8 {} {0.327959342547 0.504550638217 0.351387661716} O2 5 1 6 {} {0.273575731843 0.396159388591 0.288707623574} C2 6 1 6 {} {0.142953953722 0.454635372342 0.238044196734} C3 7 1 8 {} {0.199096057652 0.55940749678 0.160708821301} O3 8 1 8 {} {0.138571492422 0.595443631465 0.281259018184} O4 9 1 14 {} {0.37685958905 0.547626873582 0.374927228723} Si3 10 1 7 {} {0.410324228026 0.487549795916 0.417465354463} N1 11 1 14 {} {0.467752737681 0.482143674533 0.378520677035} Si4 12 1 14 {} {0.38138469236 0.420351221261 0.500575220287} Si5 13 1 7 {} {0.351565089931 0.465323925714 0.583965317546} N2 14 1 7 {} {0.485339896447 0.547791082325 0.440555204248} N3 15 1 1 {} {0.20897325751 0.497050982329 0.396372692271} H1 16 1 1 {} {0.22841634237 0.577260764316 0.361823455446} H2 17 1 1 {} {0.263862971243 0.541633222987 0.169325245821} H3 18 1 1 {} {0.268892969966 0.372524647503 0.353116151895} H4 19 1 1 {} {0.305205012912 0.377714179061 0.262078550668} H5 20 1 1 {} {0.24780911868 0.378366093802 0.244941402213} H6 21 1 1 {} {0.116327241347 0.459430679602 0.187545759906} H7 22 1 1 {} {0.127917348873 0.436083165501 0.300675428467} H8 23 1 1 {} {0.166391432716 0.415537556114 0.214756999594} H9 24 1 1 {} {0.181781823253 0.583085197062 0.117831085717} H10 25 1 1 {} {0.11113015214 0.584575809315 0.308843536836} H11 26 1 1 {} {0.398561582592 0.585653992357 0.280743778938} H12 27 1 1 {} {0.365806854105 0.598254935667 0.433945681264} H13 28 1 1 {} {0.477245685066 0.40326256652 0.433903917692} H14 29 1 1 {} {0.465489024864 0.491474732692 0.29439933168} H15 30 1 1 {} {0.349563676001 0.370979385843 0.446335104941} H16 31 1 1 {} {0.426481677293 0.385434105724 0.534035458478} H17 32 1 1 {} {0.316007524455 0.472532455984 0.562830739614} H18 33 1 1 {} {0.374871729937 0.489178185869 0.626803538276} H19 34 1 1 {} {0.51079618242 0.542299066086 0.332704521243} H20 35 1 1 {} {0.50069089306 0.53558263896 0.475996250702} H21 36 1 6 {} {0.624576735602 0.663333229313 0.478649312861} C4 37 1 14 {} {0.596133375528 0.577541021227 0.439194919443} Si6 38 1 14 {} {0.625528161184 0.739474895756 0.427457557579} Si7 39 1 8 {} {0.606521140306 0.58061922483 0.306935504967} O5 40 1 8 {} {0.606513683123 0.500102873482 0.438700276262} O6 41 1 6 {} {0.530664046899 0.589522133659 0.468458397707} C5 42 1 6 {} {0.587511982088 0.778418482999 0.476766295365} C6 43 1 8 {} {0.63304172607 0.708908008349 0.319389734363} O7 44 1 8 {} {0.680234026869 0.749124015088 0.452404435258} O8 45 1 14 {} {0.627199805595 0.41597830514 0.423486002696} Si8 46 1 7 {} {0.580358569418 0.367856631031 0.439242348431} N4 47 1 14 {} {0.565183800389 0.322187728039 0.354336334066} Si9 48 1 14 {} {0.558709994173 0.371216443236 0.547907657713} Si10 49 1 7 {} {0.593149983793 0.387208163935 0.635677025344} N5 50 1 7 {} {0.599574004684 0.261445917249 0.318732378291} N6 51 1 1 {} {0.616718791079 0.635645158229 0.552026222812} H22 52 1 1 {} {0.656710817324 0.594303791644 0.432976167428} H23 53 1 1 {} {0.613756528712 0.62787199098 0.296742123767} H24 54 1 1 {} {0.514773859037 0.552353866452 0.535241796613} H25 55 1 1 {} {0.521741141768 0.554412241703 0.380337247465} H26 56 1 1 {} {0.529326738189 0.660381529076 0.459849149201} H27 57 1 1 {} {0.589998523449 0.825804107516 0.445563821553} H28 58 1 1 {} {0.591188942641 0.781796161324 0.54928728968} H29 59 1 1 {} {0.558773996694 0.750209765492 0.460148291937} H30 60 1 1 {} {0.640419187358 0.752261578951 0.292484399459} H31 61 1 1 {} {0.68286190625 0.799314775271 0.488351696389} H32 62 1 1 {} {0.641251352171 0.421842259513 0.32620057357} H33 63 1 1 {} {0.66846643629 0.403748823823 0.479289407659} H34 64 1 1 {} {0.524457568479 0.294095959957 0.387806344741} H35 65 1 1 {} {0.55613312304 0.366232290473 0.274364636208} H36 66 1 1 {} {0.521210820273 0.416219598763 0.545498426554} H37 67 1 1 {} {0.542496107598 0.301099484218 0.558357940587} H38 68 1 1 {} {0.600944128699 0.437367484018 0.651414220183} H39 69 1 1 {} {0.618553233413 0.357580576407 0.644372074099} H40 70 1 1 {} {0.623484046231 0.271552339427 0.272890798606} H41 71 1 1 {} {0.608112554571 0.223428808941 0.358854779164} 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