#MD System 2.0 @Title neb0_image04 @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 {} {0.210252968017 0.527751314165 0.318213782397} C1 1 1 14 {} {0.26418608975 0.49077720794 0.276370392362} Si1 2 1 14 {} {0.163552173461 0.53627680977 0.23722503635} Si2 3 1 8 {} {0.276804889797 0.523965610746 0.178607462626} O1 4 1 8 {} {0.304149844453 0.51105223135 0.347369640037} O2 5 1 6 {} {0.262216479595 0.397596199703 0.269346386782} C2 6 1 6 {} {0.13202055665 0.456549105003 0.219468033512} C3 7 1 8 {} {0.188053110642 0.562070881842 0.142926059861} O3 8 1 8 {} {0.128205384459 0.597414979276 0.264091445712} O4 9 1 14 {} {0.355638548718 0.539988460036 0.352437876438} Si3 10 1 7 {} {0.390400983975 0.47705994597 0.394057409279} N1 11 1 14 {} {0.444781820285 0.475531121929 0.353164966361} Si4 12 1 14 {} {0.369998670384 0.42286329206 0.476878565417} Si5 13 1 7 {} {0.340889542388 0.460695655209 0.562268677908} N2 14 1 7 {} {0.466692469695 0.555180011905 0.3592791903} N3 15 1 1 {} {0.198641293123 0.499154629158 0.376699990223} H1 16 1 1 {} {0.218076186005 0.578585183631 0.342401683234} H2 17 1 1 {} {0.251243616256 0.543982113527 0.147871061394} H3 18 1 1 {} {0.257066331743 0.374641438484 0.335223670952} H4 19 1 1 {} {0.293946676389 0.378597492641 0.242563148112} H5 20 1 1 {} {0.235449403868 0.380489499834 0.224650455591} H6 21 1 1 {} {0.105501651203 0.46271176125 0.169409552159} H7 22 1 1 {} {0.116488233572 0.43878031378 0.281637576051} H8 23 1 1 {} {0.154431487869 0.416741867786 0.195834655488} H9 24 1 1 {} {0.169576544476 0.585173857658 0.0997092917627} H10 25 1 1 {} {0.0998330524037 0.58505788815 0.290180318186} H11 26 1 1 {} {0.372036128052 0.559945194483 0.262523915855} H12 27 1 1 {} {0.354510801362 0.598827759284 0.413500095489} H13 28 1 1 {} {0.468849584376 0.42311195429 0.405838311528} H14 29 1 1 {} {0.446937210237 0.45819503145 0.256434742231} H15 30 1 1 {} {0.338519305779 0.373700426386 0.436600802688} H16 31 1 1 {} {0.40947113335 0.388627499808 0.516170058816} H17 32 1 1 {} {0.309264591359 0.47715958321 0.551336101012} H18 33 1 1 {} {0.356900498085 0.491058220061 0.606284754433} H19 34 1 1 {} {0.489670093329 0.570182893743 0.313382319634} H20 35 1 1 {} {0.472566108667 0.577402932633 0.41923902931} H21 36 1 6 {} {0.649943513613 0.638043306547 0.494477877937} C4 37 1 14 {} {0.610472923252 0.574211156426 0.446614409498} Si6 38 1 14 {} {0.64759459564 0.724710039077 0.449642274203} Si7 39 1 8 {} {0.608155330293 0.582485170024 0.336895486033} O5 40 1 8 {} {0.630137536783 0.499498499922 0.470837231748} O6 41 1 6 {} {0.553403676625 0.580325689254 0.495757894743} C5 42 1 6 {} {0.600001346858 0.775164494358 0.494333286439} C6 43 1 8 {} {0.643264412276 0.713951791841 0.339164871992} O7 44 1 8 {} {0.695197468592 0.766048701263 0.465297025333} O8 45 1 14 {} {0.640758581734 0.421581404242 0.442956070583} Si8 46 1 7 {} {0.595427239489 0.369415558292 0.461061901139} N4 47 1 14 {} {0.575862147121 0.320197860641 0.37255799405} Si9 48 1 14 {} {0.570766387672 0.366119008741 0.567578117049} Si10 49 1 7 {} {0.605965975345 0.38486822146 0.654522160145} N5 50 1 7 {} {0.610917733846 0.257501960461 0.335287017534} N6 51 1 1 {} {0.645804449678 0.639597708625 0.567569904703} H22 52 1 1 {} {0.683999125076 0.619249311521 0.482034512299} H23 53 1 1 {} {0.620486184129 0.624874900674 0.315096598706} H24 54 1 1 {} {0.553539491186 0.570411575643 0.567757304859} H25 55 1 1 {} {0.531390848166 0.543412320845 0.463915637015} H26 56 1 1 {} {0.538935712102 0.630354306443 0.484783803112} H27 57 1 1 {} {0.599250859249 0.825581717621 0.464965515427} H28 58 1 1 {} {0.602061501915 0.780671731707 0.567280011376} H29 59 1 1 {} {0.567931471442 0.750982619369 0.479142074582} H30 60 1 1 {} {0.651306830489 0.751342201615 0.301209480129} H31 61 1 1 {} {0.695549023094 0.801101026127 0.509914191678} H32 62 1 1 {} {0.652307645947 0.416539354698 0.34620379216} H33 63 1 1 {} {0.679944277523 0.401216929196 0.497733980505} H34 64 1 1 {} {0.534103812624 0.288181750572 0.405425414199} H35 65 1 1 {} {0.567709100325 0.363060400652 0.292961062631} H36 66 1 1 {} {0.533577842494 0.415498728088 0.573751088706} H37 67 1 1 {} {0.553550712603 0.29669486016 0.5792647371} H38 68 1 1 {} {0.612549677876 0.433450599924 0.669464581262} H39 69 1 1 {} {0.632983640052 0.355754577254 0.667608249439} H40 70 1 1 {} {0.635537218959 0.26856499132 0.291023734792} H41 71 1 1 {} {0.620466098453 0.219738103839 0.376522376899} 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