#MD System 2.0 @Title neb0_image03 @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 {} {0.207670384502 0.528223947259 0.314033595754} C1 1 1 14 {} {0.261601088158 0.49125296211 0.272189578911} Si1 2 1 14 {} {0.16097153881 0.536740553045 0.233035766465} Si2 3 1 8 {} {0.274222915025 0.524444662066 0.17443097361} O1 4 1 8 {} {0.301576860672 0.511523078977 0.343186271115} O2 5 1 6 {} {0.259631351915 0.398069806602 0.265165980013} C2 6 1 6 {} {0.129436918102 0.457022067796 0.215274166823} C3 7 1 8 {} {0.185476897377 0.562540127055 0.138752250373} O3 8 1 8 {} {0.125625361175 0.597905511236 0.259908372827} O4 9 1 14 {} {0.353062850059 0.540459693971 0.34826808749} Si3 10 1 7 {} {0.387814613183 0.477532816015 0.389877864389} N1 11 1 14 {} {0.442232813399 0.475999680466 0.348996008081} Si4 12 1 14 {} {0.367419424552 0.423335854242 0.47267926756} Si5 13 1 7 {} {0.338308430642 0.461170754454 0.558094178713} N2 14 1 7 {} {0.464180956519 0.555684219617 0.355171209718} N3 15 1 1 {} {0.196059174445 0.49962950099 0.372518116803} H1 16 1 1 {} {0.215494311338 0.579059837312 0.33821865023} H2 17 1 1 {} {0.248662236458 0.544457813856 0.143687727196} H3 18 1 1 {} {0.254483612112 0.375116444563 0.331042352861} H4 19 1 1 {} {0.29136403222 0.379073027926 0.238380599258} H5 20 1 1 {} {0.232866448963 0.380964389841 0.220468763806} H6 21 1 1 {} {0.102919463178 0.463187434714 0.165227901153} H7 22 1 1 {} {0.113904601344 0.439255390663 0.277454444888} H8 23 1 1 {} {0.151849261375 0.41721682139 0.191651884838} H9 24 1 1 {} {0.166993102306 0.585648151978 0.0955282109156} H10 25 1 1 {} {0.0972495909099 0.58553408887 0.285997320691} H11 26 1 1 {} {0.369453676268 0.560419991736 0.258343095626} H12 27 1 1 {} {0.351927717883 0.59930225235 0.409318230356} H13 28 1 1 {} {0.466262141464 0.423580987608 0.401653131918} H14 29 1 1 {} {0.444351914336 0.458672865561 0.252249620202} H15 30 1 1 {} {0.335937395215 0.374175163709 0.432420229929} H16 31 1 1 {} {0.406886965611 0.389102353129 0.511990161898} H17 32 1 1 {} {0.306681277778 0.477635472886 0.547153851124} H18 33 1 1 {} {0.354317482791 0.491534059327 0.602101981893} H19 34 1 1 {} {0.487082746443 0.570652787703 0.309204281345} H20 35 1 1 {} {0.470023420108 0.577872207407 0.41513082215} H21 36 1 6 {} {0.652523281172 0.637570876612 0.498670736235} C4 37 1 14 {} {0.613042515994 0.573741133249 0.450758592444} Si6 38 1 14 {} {0.650175593983 0.724234842999 0.453826950904} Si7 39 1 8 {} {0.61074475628 0.58201301704 0.341083073713} O5 40 1 8 {} {0.632724320664 0.499006852422 0.475014504347} O6 41 1 6 {} {0.555949862763 0.579862430697 0.499858933344} C5 42 1 6 {} {0.602587164312 0.774681320012 0.498527058598} C6 43 1 8 {} {0.645852195712 0.713478838384 0.343337320068} O7 44 1 8 {} {0.697786751339 0.765573392794 0.469481615737} O8 45 1 14 {} {0.64333710489 0.421121838151 0.447138171551} Si8 46 1 7 {} {0.598010285474 0.368938263257 0.465253033502} N4 47 1 14 {} {0.578437043958 0.319722916753 0.376736359169} Si9 48 1 14 {} {0.573357216044 0.365637864959 0.571766047082} Si10 49 1 7 {} {0.60854350249 0.38439598408 0.658704273} N5 50 1 7 {} {0.613493864731 0.257030075673 0.33947193081} N6 51 1 1 {} {0.648386307903 0.639124055329 0.571753214794} H22 52 1 1 {} {0.686580926526 0.618774839181 0.486215928576} H23 53 1 1 {} {0.623067302965 0.624396917457 0.319280840568} H24 54 1 1 {} {0.556111486907 0.569927817059 0.571927024948} H25 55 1 1 {} {0.533900946768 0.542939720892 0.468035711495} H26 56 1 1 {} {0.541511016791 0.629869399843 0.488959594836} H27 57 1 1 {} {0.601831883636 0.825107026964 0.469147402055} H28 58 1 1 {} {0.604642655019 0.780198039941 0.571462857572} H29 59 1 1 {} {0.570514081628 0.750507454194 0.483325065345} H30 60 1 1 {} {0.653888891885 0.750867679852 0.305391255789} H31 61 1 1 {} {0.698129612846 0.800627148627 0.514096753569} H32 62 1 1 {} {0.654888617456 0.416063255181 0.350385543556} H33 63 1 1 {} {0.682526061382 0.40074104599 0.501915980484} H34 64 1 1 {} {0.536684817528 0.28770840301 0.409609044112} H35 65 1 1 {} {0.570291096357 0.362585502285 0.29714616128} H36 66 1 1 {} {0.536158368282 0.415025401223 0.577929456471} H37 67 1 1 {} {0.556133031327 0.296221138708 0.583447641719} H38 68 1 1 {} {0.615130595043 0.432976741762 0.673645413337} H39 69 1 1 {} {0.635565734898 0.355279669606 0.671790225754} H40 70 1 1 {} {0.638118090589 0.268090714321 0.295205374444} H41 71 1 1 {} {0.623047895992 0.219264547912 0.380704078623} 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