#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 {} {0.21998965849 0.526142299306 0.333844609678} C1 1 1 14 {} {0.273586242606 0.488866495108 0.292069996794} Si1 2 1 14 {} {0.173451551359 0.53462986548 0.25329889034} Si2 3 1 8 {} {0.28638998124 0.520227976477 0.193186290094} O1 4 1 8 {} {0.312118856121 0.51155413903 0.364270813411} O2 5 1 6 {} {0.272226806978 0.395507439025 0.286066715023} C2 6 1 6 {} {0.142120483852 0.454868662669 0.235573823484} C3 7 1 8 {} {0.197885509714 0.561441326101 0.159663683989} O3 8 1 8 {} {0.13801098678 0.595046507624 0.281626144524} O4 9 1 14 {} {0.364100336326 0.537828882631 0.367393896351} Si3 10 1 7 {} {0.396499166092 0.471485871794 0.406121844464} N1 11 1 14 {} {0.447048538964 0.470065736115 0.350332747145} Si4 12 1 14 {} {0.378977363238 0.419925398976 0.493238549214} Si5 13 1 7 {} {0.350382032099 0.458086359787 0.579620945137} N2 14 1 7 {} {0.453975389092 0.558411037716 0.332642177565} N3 15 1 1 {} {0.208692562317 0.497524181752 0.392537524327} H1 16 1 1 {} {0.228435708611 0.576774314381 0.358014635935} H2 17 1 1 {} {0.261308335398 0.542164659889 0.163148794746} H3 18 1 1 {} {0.266978561366 0.372306448092 0.351755843923} H4 19 1 1 {} {0.303961498049 0.376468077126 0.259313675754} H5 20 1 1 {} {0.245491467695 0.378677194512 0.241134397134} H6 21 1 1 {} {0.115587403843 0.461121184708 0.185589630391} H7 22 1 1 {} {0.126519152795 0.43744565139 0.297895794391} H8 23 1 1 {} {0.164340290155 0.414730838719 0.212252081554} H9 24 1 1 {} {0.179124442431 0.583802912374 0.115895975664} H10 25 1 1 {} {0.109615847863 0.582053317246 0.307375639275} H11 26 1 1 {} {0.380020815647 0.557571820819 0.277633502002} H12 27 1 1 {} {0.365062728131 0.596565317357 0.429848456905} H13 28 1 1 {} {0.478413532384 0.433174171334 0.411726305982} H14 29 1 1 {} {0.452311210389 0.439186478147 0.26066034452} H15 30 1 1 {} {0.347309141897 0.368930389459 0.455287357742} H16 31 1 1 {} {0.419357209357 0.386677138354 0.532224967376} H17 32 1 1 {} {0.31905911113 0.475558277064 0.568172853302} H18 33 1 1 {} {0.366258266932 0.489445015746 0.622734616929} H19 34 1 1 {} {0.487629923498 0.564027434777 0.318337785229} H20 35 1 1 {} {0.445029459392 0.58426148426 0.393528768854} H21 36 1 6 {} {0.648708059764 0.641959954532 0.478722970062} C4 37 1 14 {} {0.608171471142 0.578757913602 0.439255752907} Si6 38 1 14 {} {0.639463160861 0.727818819045 0.432554595403} Si7 39 1 8 {} {0.594476998531 0.587028820616 0.333982758321} O5 40 1 8 {} {0.625306199212 0.501603212027 0.454890372526} O6 41 1 6 {} {0.557502060244 0.583175787409 0.50841563644} C5 42 1 6 {} {0.590375211027 0.776465055922 0.478009002548} C6 43 1 8 {} {0.633609459679 0.716201382617 0.322565894103} O7 44 1 8 {} {0.686188242049 0.772430478709 0.446674046796} O8 45 1 14 {} {0.631838763536 0.422848382521 0.427542428585} Si8 46 1 7 {} {0.585514447671 0.371239881537 0.444406644802} N4 47 1 14 {} {0.566050552047 0.322013245367 0.35645526497} Si9 48 1 14 {} {0.561238321346 0.367405590597 0.552369957641} Si10 49 1 7 {} {0.59728448761 0.38654009114 0.637966300203} N5 50 1 7 {} {0.600248666575 0.258980721308 0.317913652495} N6 51 1 1 {} {0.639902326278 0.642508439292 0.550186029663} H22 52 1 1 {} {0.684103733472 0.628241872899 0.469502173063} H23 53 1 1 {} {0.607521100642 0.624551618068 0.301599258894} H24 54 1 1 {} {0.559719886835 0.585757932778 0.581527553333} H25 55 1 1 {} {0.54678419237 0.533398196527 0.486000249764} H26 56 1 1 {} {0.535658823124 0.622673566417 0.483031229562} H27 57 1 1 {} {0.589423306264 0.827085293644 0.448511612103} H28 58 1 1 {} {0.592201710781 0.782630997 0.550984516902} H29 59 1 1 {} {0.558016381383 0.752886530676 0.462894857177} H30 60 1 1 {} {0.641056626765 0.753024392371 0.28335458556} H31 61 1 1 {} {0.685857990674 0.805096836232 0.494246054266} H32 62 1 1 {} {0.642312266337 0.417804659355 0.329660727173} H33 63 1 1 {} {0.670807936508 0.401756511983 0.482104732524} H34 64 1 1 {} {0.524148653787 0.289757100436 0.389590734294} H35 65 1 1 {} {0.557756945025 0.365092759199 0.27692527593} H36 66 1 1 {} {0.524175376105 0.417035602851 0.561669574925} H37 67 1 1 {} {0.54371063263 0.297932334194 0.563311113593} H38 68 1 1 {} {0.602337742293 0.434517432101 0.653920639443} H39 69 1 1 {} {0.623639571944 0.357716986006 0.65226875788} H40 70 1 1 {} {0.625242246631 0.270129531905 0.274068603744} H41 71 1 1 {} {0.610054711159 0.220680678051 0.358704390214} 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