#MD System 2.0 @Title neb0_image01 @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 {} {0.358184050846 0.546621495046 0.413964688332} C1 1 1 14 {} {0.33474523635 0.520107783758 0.524700626031} Si1 2 1 14 {} {0.419865889821 0.557426093501 0.409696018277} Si2 3 1 8 {} {0.347953015781 0.57687789555 0.600689509023} O1 4 1 8 {} {0.279817974232 0.518621523666 0.517540285292} O2 5 1 6 {} {0.353667375294 0.434804130928 0.559464348957} C2 6 1 6 {} {0.451037519965 0.477173039672 0.395101347269} C3 7 1 8 {} {0.432811251318 0.592112228441 0.508769739789} O3 8 1 8 {} {0.433065677295 0.608908336643 0.326808513408} O4 9 1 14 {} {0.229340723899 0.522882745002 0.558925895301} Si3 10 1 7 {} {0.209753867326 0.444718454025 0.593092659922} N1 11 1 14 {} {0.187330457214 0.436448482531 0.70059369859} Si4 12 1 14 {} {0.210302840115 0.377004756122 0.518034731298} Si5 13 1 7 {} {0.204230210384 0.398147034293 0.407581404408} N2 14 1 7 {} {0.136912329663 0.475530317749 0.720753432196} N3 15 1 1 {} {0.348133918009 0.51082575818 0.361727858597} H1 16 1 1 {} {0.342528129572 0.594947655509 0.396969341736} H2 17 1 1 {} {0.377857064344 0.595128923976 0.591210745612} H3 18 1 1 {} {0.34497842097 0.396223948545 0.510071692542} H4 19 1 1 {} {0.33794046613 0.420927472226 0.623150319861} H5 20 1 1 {} {0.390011390183 0.433570034595 0.569438209018} H6 21 1 1 {} {0.487151074327 0.486639086948 0.392088921303} H7 22 1 1 {} {0.441472748035 0.452830412537 0.332112712879} H8 23 1 1 {} {0.444837303365 0.441656081492 0.449655259357} H9 24 1 1 {} {0.463439137868 0.607148179763 0.51494916601} H10 25 1 1 {} {0.464993383141 0.612094866398 0.315487969849} H11 26 1 1 {} {0.227727030886 0.567040410984 0.639177838123} H12 27 1 1 {} {0.200501045165 0.550950699981 0.487256352054} H13 28 1 1 {} {0.180636174065 0.363381075385 0.714850966406} H14 29 1 1 {} {0.218873382233 0.465603241639 0.766618069669} H15 30 1 1 {} {0.25355959548 0.340442211378 0.52387492943} H16 31 1 1 {} {0.172698354857 0.332442912521 0.544703386939} H17 32 1 1 {} {0.231234852505 0.412848724043 0.371593230112} H18 33 1 1 {} {0.176249841233 0.421623604432 0.385500588614} H19 34 1 1 {} {0.136103761079 0.525132826062 0.73576566589} H20 35 1 1 {} {0.108856003969 0.46169584993 0.687334543033} H21 36 1 6 {} {0.632659140662 0.645996891517 0.348994922938} C4 37 1 14 {} {0.5895330273 0.583501342813 0.386368660318} Si6 38 1 14 {} {0.627019963786 0.734473280985 0.385501364231} Si7 39 1 8 {} {0.539208838302 0.618843439818 0.380588806891} O5 40 1 8 {} {0.590387928589 0.518902643851 0.31926075565} O6 41 1 6 {} {0.6005862012 0.551623056666 0.501301777753} C5 42 1 6 {} {0.645220067212 0.751508767676 0.502666197363} C6 43 1 8 {} {0.572187308153 0.749299188816 0.374006692218} O7 44 1 8 {} {0.65478219374 0.783845582292 0.315594420454} O8 45 1 14 {} {0.584007252433 0.458632705166 0.246275722318} Si8 46 1 7 {} {0.596570772155 0.380575395955 0.289216036919} N4 47 1 14 {} {0.552919345503 0.324192286362 0.312692031957} Si9 48 1 14 {} {0.651073518876 0.355228997601 0.314576540996} Si10 49 1 7 {} {0.692155222829 0.401450031982 0.263420668384} N5 50 1 7 {} {0.529011325318 0.281151748725 0.225854884275} N6 51 1 1 {} {0.666066451046 0.627602265899 0.367686656858} H22 52 1 1 {} {0.631888427711 0.646802723563 0.275338022739} H23 53 1 1 {} {0.541285878884 0.667926258097 0.375886667047} H24 54 1 1 {} {0.632700595831 0.525035695061 0.504127432279} H25 55 1 1 {} {0.574476045847 0.51609757452 0.521627833328} H26 56 1 1 {} {0.601473210436 0.592185781328 0.550847473936} H27 57 1 1 {} {0.639963107185 0.80428900562 0.520837874502} H28 58 1 1 {} {0.680812301624 0.740093456121 0.512027488685} H29 59 1 1 {} {0.626222289497 0.720950133495 0.550390938557} H30 60 1 1 {} {0.5618042829 0.795179928633 0.371054138457} H31 61 1 1 {} {0.672734991111 0.819502306266 0.340627299057} H32 62 1 1 {} {0.536347623483 0.456647533925 0.217561269182} H33 63 1 1 {} {0.613185089706 0.474726080125 0.168676044769} H34 64 1 1 {} {0.572844363155 0.273426573431 0.373945313599} H35 65 1 1 {} {0.516101516278 0.361986539618 0.356114380324} H36 66 1 1 {} {0.660332740821 0.361343809322 0.412085485622} H37 67 1 1 {} {0.65490631233 0.283815213635 0.286467721332} H38 68 1 1 {} {0.705402246728 0.442241666835 0.293714432} H39 69 1 1 {} {0.695086328618 0.404364855381 0.196090983127} H40 70 1 1 {} {0.50676189222 0.304319456032 0.184954368262} H41 71 1 1 {} {0.546403018634 0.24563573227 0.19191571334} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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