#MD System 2.0 @Title neb0_image06 @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 {} {0.215672676461 0.526770910082 0.326887493059} C1 1 1 14 {} {0.269586290654 0.48976749077 0.285098442082} Si1 2 1 14 {} {0.168982725661 0.535218760547 0.245943813643} Si2 3 1 8 {} {0.282147997747 0.522664930426 0.187172460076} O1 4 1 8 {} {0.309470213751 0.51024157742 0.355995434098} O2 5 1 6 {} {0.267645015351 0.396584714675 0.278194186122} C2 6 1 6 {} {0.13740750328 0.455522304249 0.228159253359} C3 7 1 8 {} {0.193481493765 0.561250605904 0.151764276836} O3 8 1 8 {} {0.133600420627 0.596238325034 0.273007695863} O4 9 1 14 {} {0.360963920386 0.539114691464 0.361109905046} Si3 10 1 7 {} {0.395362539635 0.475785474368 0.402895134499} N1 11 1 14 {} {0.449268205356 0.474008404011 0.360068813445} Si4 12 1 14 {} {0.375270754148 0.42171992365 0.485933567955} Si5 13 1 7 {} {0.346186618674 0.459658810716 0.571289147135} N2 14 1 7 {} {0.468716850971 0.555380419303 0.362490903757} N3 15 1 1 {} {0.2040505234 0.498177647701 0.385365739064} H1 16 1 1 {} {0.223521272982 0.577612472636 0.351017046384} H2 17 1 1 {} {0.256666359043 0.543000463405 0.156515719693} H3 18 1 1 {} {0.262468399535 0.3735535439 0.344004801787} H4 19 1 1 {} {0.299355963705 0.377523647495 0.251416865322} H5 20 1 1 {} {0.240859063432 0.379544799053 0.233482604818} H6 21 1 1 {} {0.110884158881 0.461769149001 0.178129476016} H7 22 1 1 {} {0.121870719274 0.437842783676 0.290387181126} H8 23 1 1 {} {0.159798099365 0.415682827531 0.204578744441} H9 24 1 1 {} {0.174935916491 0.584220612273 0.108489491952} H10 25 1 1 {} {0.105196474218 0.583901462537 0.299069957849} H11 26 1 1 {} {0.377398267327 0.558987296247 0.271309696851} H12 27 1 1 {} {0.359953735436 0.597882631933 0.422366234082} H13 28 1 1 {} {0.474240364638 0.422993043695 0.413945436881} H14 29 1 1 {} {0.452117435007 0.455781250487 0.263579646423} H15 30 1 1 {} {0.343914465288 0.372646036196 0.445440508758} H16 31 1 1 {} {0.414921253515 0.387634607084 0.524853060714} H17 32 1 1 {} {0.31461463654 0.47618765447 0.560056959983} H18 33 1 1 {} {0.362239832391 0.490160852124 0.615101059227} H19 34 1 1 {} {0.494260436387 0.568311484671 0.321105830015} H20 35 1 1 {} {0.473629020624 0.576927211271 0.4232180208} H21 36 1 6 {} {0.645256966498 0.639425185621 0.485682618029} C4 37 1 14 {} {0.606143702468 0.575673976066 0.438859269814} Si6 38 1 14 {} {0.642249283397 0.725851872104 0.44074071553} Si7 39 1 8 {} {0.602255912674 0.583719231683 0.32907400517} O5 40 1 8 {} {0.625062184055 0.50041199459 0.462026187812} O6 41 1 6 {} {0.550083343322 0.581977154817 0.490930768757} C5 42 1 6 {} {0.594595504191 0.776148284639 0.485531247023} C6 43 1 8 {} {0.638065076295 0.714815712895 0.330281001023} O7 44 1 8 {} {0.68977450003 0.767234803982 0.456528623588} O8 45 1 14 {} {0.635399047864 0.42240203961 0.434131014929} Si8 46 1 7 {} {0.590043638323 0.370466236376 0.452600331647} N4 47 1 14 {} {0.570491430933 0.321071869617 0.363726833182} Si9 48 1 14 {} {0.565257751605 0.36703370836 0.558674285634} Si10 49 1 7 {} {0.600639073072 0.385855177969 0.645451045586} N5 50 1 7 {} {0.605445681759 0.258383115934 0.326302732184} N6 51 1 1 {} {0.64047331991 0.640551729984 0.558609431098} H22 52 1 1 {} {0.679243714524 0.62065940261 0.473346252434} H23 53 1 1 {} {0.614915038887 0.625662566994 0.30646490487} H24 54 1 1 {} {0.549519091704 0.572522479653 0.563006347178} H25 55 1 1 {} {0.530107828728 0.542748488634 0.459067262402} H26 56 1 1 {} {0.534300810004 0.630915848048 0.47724816882} H27 57 1 1 {} {0.593836920018 0.826572866738 0.456161925014} H28 58 1 1 {} {0.59666023823 0.781692794216 0.55847552257} H29 59 1 1 {} {0.562496623243 0.752063372396 0.470424989336} H30 60 1 1 {} {0.645915554935 0.75230686843 0.292362729335} H31 61 1 1 {} {0.690123935043 0.80218423435 0.5011827261} H32 62 1 1 {} {0.646882018701 0.417590450466 0.337476830501} H33 63 1 1 {} {0.674610893114 0.402284829448 0.48909433088} H34 64 1 1 {} {0.528745635084 0.289247357541 0.396751740995} H35 65 1 1 {} {0.562322000341 0.36407233658 0.284364398523} H36 66 1 1 {} {0.528153888344 0.416503448258 0.56557114995} H37 67 1 1 {} {0.548153855963 0.297629016236 0.570642615351} H38 68 1 1 {} {0.607074793524 0.434494072589 0.660836559183} H39 69 1 1 {} {0.627639719266 0.356674367425 0.659001815219} H40 70 1 1 {} {0.630081283811 0.269558280869 0.282172218711} H41 71 1 1 {} {0.614997985587 0.220628967216 0.367560884641} 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