#MD System 2.0 @Title neb0_image08 @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 {} {0.224676483165 0.525113912436 0.341843344228} C1 1 1 14 {} {0.277848800218 0.487560836197 0.299584220944} Si1 2 1 14 {} {0.178460505192 0.533835998347 0.261220669911} Si2 3 1 8 {} {0.291245897287 0.518769627145 0.201130893166} O1 4 1 8 {} {0.314896303316 0.512324320765 0.37426909655} O2 5 1 6 {} {0.277145187317 0.394367430377 0.294154943407} C2 6 1 6 {} {0.147109594367 0.453990688624 0.243393258061} C3 7 1 8 {} {0.203153596554 0.560938151888 0.168150120823} O3 8 1 8 {} {0.143172713978 0.593990599996 0.289863453317} O4 9 1 14 {} {0.367287189788 0.53593141611 0.374487784983} Si3 10 1 7 {} {0.398863935972 0.467145402181 0.408109903439} N1 11 1 14 {} {0.4448340314 0.464984452204 0.34013039604} Si4 12 1 14 {} {0.38285041329 0.418153957989 0.501572640351} Si5 13 1 7 {} {0.354668219389 0.457206204036 0.589345159918} N2 14 1 7 {} {0.441133411383 0.562788522032 0.308979915528} N3 15 1 1 {} {0.213605228481 0.496572764297 0.400743501911} H1 16 1 1 {} {0.233527737477 0.575658934333 0.365806379685} H2 17 1 1 {} {0.266174319924 0.541293387887 0.171002806653} H3 18 1 1 {} {0.271794632005 0.371132915896 0.359690129704} H4 19 1 1 {} {0.308800964524 0.375256080928 0.267379353462} H5 20 1 1 {} {0.250416001285 0.377852146774 0.249177795228} H6 21 1 1 {} {0.120529768288 0.460472501526 0.193591727155} H7 22 1 1 {} {0.131434471092 0.436829363387 0.305751191118} H8 23 1 1 {} {0.16906923328 0.413508130461 0.220167497506} H9 24 1 1 {} {0.183980777952 0.582899760994 0.123988586249} H10 25 1 1 {} {0.114566369396 0.580618907144 0.315488675621} H11 26 1 1 {} {0.382311765577 0.556044252333 0.282729680658} H12 27 1 1 {} {0.370303644059 0.595779582259 0.438050007211} H13 28 1 1 {} {0.482321501969 0.4424800448 0.409943086169} H14 29 1 1 {} {0.452960922151 0.422394529422 0.257737013606} H15 30 1 1 {} {0.350671098663 0.364676305696 0.465501251316} H16 31 1 1 {} {0.424184101776 0.385699125316 0.540386689565} H17 32 1 1 {} {0.32415907306 0.474950732311 0.577208927934} H18 33 1 1 {} {0.370666828489 0.488624399734 0.631068604614} H19 34 1 1 {} {0.48007060006 0.562110605401 0.310196917123} H20 35 1 1 {} {0.415481367012 0.592273126919 0.369492296063} H21 36 1 6 {} {0.653111476935 0.645057832838 0.471526868256} C4 37 1 14 {} {0.609632053665 0.581941786407 0.441853895706} Si6 38 1 14 {} {0.636878394653 0.730498635583 0.423922940941} Si7 39 1 8 {} {0.587819269477 0.589530276561 0.339016940068} O5 40 1 8 {} {0.625158061274 0.502991439088 0.446590190468} O6 41 1 6 {} {0.563243620646 0.582122374868 0.522067841775} C5 42 1 6 {} {0.585834035649 0.776781509174 0.469413853667} C6 43 1 8 {} {0.630216020398 0.717265034699 0.314151573732} O7 44 1 8 {} {0.682735159151 0.778109730835 0.437229649311} O8 45 1 14 {} {0.627595275362 0.42282509005 0.419619241211} Si8 46 1 7 {} {0.580774265012 0.372471530132 0.437889849437} N4 47 1 14 {} {0.56108139575 0.322437951437 0.349199722827} Si9 48 1 14 {} {0.556360252025 0.367870431858 0.544664269162} Si10 49 1 7 {} {0.592674532537 0.386622521254 0.629985135697} N5 50 1 7 {} {0.595440709541 0.259643118135 0.310092880493} N6 51 1 1 {} {0.638862258165 0.644337404168 0.540953152743} H22 52 1 1 {} {0.690335472143 0.636010776796 0.465738637415} H23 53 1 1 {} {0.600019074798 0.624300751065 0.295860873798} H24 54 1 1 {} {0.569647045307 0.60008595721 0.600068709734} H25 55 1 1 {} {0.560394795496 0.523350024653 0.506023703204} H26 56 1 1 {} {0.536410168045 0.614958287165 0.487342825681} H27 57 1 1 {} {0.584651052791 0.827494854959 0.440002820275} H28 58 1 1 {} {0.58745190957 0.783393732213 0.542389947462} H29 59 1 1 {} {0.5532820675 0.753466072146 0.454221580004} H30 60 1 1 {} {0.635906315566 0.753992838001 0.274090647306} H31 61 1 1 {} {0.681423355595 0.808070183516 0.486934404805} H32 62 1 1 {} {0.637462638601 0.417648124907 0.320626441662} H33 63 1 1 {} {0.666599973905 0.400976137973 0.474463783296} H34 64 1 1 {} {0.518899620475 0.29021858568 0.381926319925} H35 65 1 1 {} {0.552512616743 0.366322529257 0.26888166301} H36 66 1 1 {} {0.520350154502 0.4178357158 0.558370262547} H37 67 1 1 {} {0.538634990936 0.298227012493 0.555364690153} H38 68 1 1 {} {0.597340803274 0.435728485287 0.646399976972} H39 69 1 1 {} {0.620113146804 0.35780771204 0.645681536048} H40 70 1 1 {} {0.619680271202 0.270854389672 0.266495369175} H41 71 1 1 {} {0.604768926397 0.221824968075 0.349407986895} 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