#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 {} {0.210470720216 0.5277695292 0.318321012591} C1 1 1 14 {} {0.264296439858 0.490594715584 0.276564215851} Si1 2 1 14 {} {0.163793240281 0.536190750134 0.237433586151} Si2 3 1 8 {} {0.27675959985 0.523085942052 0.178313769622} O1 4 1 8 {} {0.304231025797 0.511207089871 0.347429978776} O2 5 1 6 {} {0.262361142091 0.397434082062 0.269802222765} C2 6 1 6 {} {0.132197237446 0.45652183186 0.219791820716} C3 7 1 8 {} {0.188188592323 0.562147593656 0.143117816247} O3 8 1 8 {} {0.128429680183 0.597106087831 0.264867549603} O4 9 1 14 {} {0.355715390823 0.54013262751 0.352833183038} Si3 10 1 7 {} {0.39029941034 0.476975881622 0.394381076002} N1 11 1 14 {} {0.444296459233 0.475098406815 0.351984535576} Si4 12 1 14 {} {0.370120708737 0.422740781025 0.477341896062} Si5 13 1 7 {} {0.340945955269 0.460528265711 0.56268680407} N2 14 1 7 {} {0.464844906241 0.555723636892 0.356017585692} N3 15 1 1 {} {0.19883597788 0.499172906653 0.376787699423} H1 16 1 1 {} {0.218384993241 0.578603763175 0.342403305654} H2 17 1 1 {} {0.25141694798 0.54394354286 0.147875295071} H3 18 1 1 {} {0.257157383516 0.374323574335 0.335524958696} H4 19 1 1 {} {0.294061163235 0.37834434318 0.243057058813} H5 20 1 1 {} {0.235588408525 0.380497663704 0.225009782669} H6 21 1 1 {} {0.105696274626 0.462846107424 0.169722071801} H7 22 1 1 {} {0.11661179497 0.438893802864 0.282014822538} H8 23 1 1 {} {0.15452477077 0.41660174275 0.196197589294} H9 24 1 1 {} {0.169645242457 0.58525879144 0.100047336408} H10 25 1 1 {} {0.10002191029 0.584674182301 0.290686592725} H11 26 1 1 {} {0.372190715155 0.560041102542 0.263107107682} H12 27 1 1 {} {0.354665425576 0.598857109922 0.413955663749} H13 28 1 1 {} {0.468988819779 0.423660074383 0.405505296008} H14 29 1 1 {} {0.446785494058 0.456923490046 0.255738365858} H15 30 1 1 {} {0.338713493001 0.373592834507 0.436845490684} H16 31 1 1 {} {0.409705397092 0.388543756183 0.516259544836} H17 32 1 1 {} {0.309341509692 0.477041884071 0.551511309492} H18 33 1 1 {} {0.356902521807 0.491094157913 0.606527227479} H19 34 1 1 {} {0.489538292816 0.569281094023 0.312917213088} H20 35 1 1 {} {0.470105710244 0.577701818847 0.41629189257} H21 36 1 6 {} {0.650309884677 0.638409528975 0.494142003915} C4 37 1 14 {} {0.610953062985 0.574594330398 0.447182320695} Si6 38 1 14 {} {0.647515159649 0.724926031378 0.449140109222} Si7 39 1 8 {} {0.607288007261 0.582834390064 0.337523887457} O5 40 1 8 {} {0.6304909682 0.499637914208 0.470726478582} O6 41 1 6 {} {0.554527758877 0.580727591648 0.49825503704} C5 42 1 6 {} {0.599830979065 0.775296673516 0.493912188385} C6 43 1 8 {} {0.643488627759 0.713845131942 0.338688830853} O7 44 1 8 {} {0.694981393266 0.766482392873 0.464837846178} O8 45 1 14 {} {0.64069172403 0.421634458352 0.442912910426} Si8 46 1 7 {} {0.595245687282 0.369619891437 0.460897587147} N4 47 1 14 {} {0.575699201175 0.320335386535 0.372220256806} Si9 48 1 14 {} {0.570569337576 0.366066152879 0.567329777618} Si10 49 1 7 {} {0.60582005526 0.38490314174 0.654314228617} N5 50 1 7 {} {0.610637489886 0.257589903428 0.334788800182} N6 51 1 1 {} {0.645835914405 0.639664711911 0.567124187679} H22 52 1 1 {} {0.684391297514 0.619874568919 0.481742678615} H23 53 1 1 {} {0.620109623664 0.624657114592 0.314889332057} H24 54 1 1 {} {0.554271802926 0.571394068257 0.570506021315} H25 55 1 1 {} {0.533767884249 0.542257475133 0.466448886524} H26 56 1 1 {} {0.539329900416 0.629886789152 0.485575301158} H27 57 1 1 {} {0.599070442037 0.825753075961 0.464529131306} H28 58 1 1 {} {0.601901412127 0.780842050859 0.566877861151} H29 59 1 1 {} {0.567708791646 0.751231568055 0.478871147457} H30 60 1 1 {} {0.651189198284 0.751381832287 0.300687435367} H31 61 1 1 {} {0.695377981194 0.801336038304 0.509711673561} H32 62 1 1 {} {0.652153759677 0.416695433846 0.346107950891} H33 63 1 1 {} {0.679891787725 0.401270265263 0.49773543091} H34 64 1 1 {} {0.533944876321 0.288387099108 0.405019037176} H35 65 1 1 {} {0.567497198173 0.363157256635 0.292613180986} H36 66 1 1 {} {0.533293477199 0.415303712111 0.573892897622} H37 67 1 1 {} {0.553514595022 0.296499443738 0.578954652666} H38 68 1 1 {} {0.612349032821 0.43351446854 0.669025762201} H39 69 1 1 {} {0.63286040509 0.355897200776 0.667498492722} H40 70 1 1 {} {0.635241996383 0.268598100328 0.290425708759} H41 71 1 1 {} {0.620094347015 0.219642758366 0.375826434889} 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