#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 {} {0.208260287702 0.528118644317 0.313694508489} C1 1 1 14 {} {0.261782311891 0.490323362582 0.271935776633} Si1 2 1 14 {} {0.16144312383 0.53661719389 0.233135913816} Si2 3 1 8 {} {0.273895052654 0.521087830252 0.172456292987} O1 4 1 8 {} {0.301989608921 0.511876391532 0.342206257566} O2 5 1 6 {} {0.259506302003 0.397250348707 0.266427824959} C2 6 1 6 {} {0.12953656405 0.457246123713 0.215266977439} C3 7 1 8 {} {0.185666426413 0.562895286031 0.138815650155} O3 8 1 8 {} {0.126285309798 0.597563194226 0.261878849315} O4 9 1 14 {} {0.353238623617 0.540813486022 0.348907672128} Si3 10 1 7 {} {0.387789828584 0.477505545268 0.390254644394} N1 11 1 14 {} {0.441467364345 0.475095231001 0.346351272592} Si4 12 1 14 {} {0.36758489537 0.423079230943 0.47294497287} Si5 13 1 7 {} {0.338126548766 0.460481307404 0.558280507086} N2 14 1 7 {} {0.461811999119 0.555831335415 0.34915912515} N3 15 1 1 {} {0.196558914382 0.500062142719 0.372540453441} H1 16 1 1 {} {0.216146738658 0.579045396306 0.337292333324} H2 17 1 1 {} {0.248974791219 0.543721659822 0.143363459668} H3 18 1 1 {} {0.254049287965 0.374004917271 0.331970628653} H4 19 1 1 {} {0.291109695848 0.377891051397 0.239529698001} H5 20 1 1 {} {0.232694337942 0.380818496477 0.221285852339} H6 21 1 1 {} {0.103143097865 0.463972320517 0.165049100044} H7 22 1 1 {} {0.113699808491 0.439993889604 0.277412569419} H8 23 1 1 {} {0.151497974938 0.416829913961 0.191859783089} H9 24 1 1 {} {0.166943141916 0.586048114891 0.0961063266681} H10 25 1 1 {} {0.0977657375779 0.584571506923 0.286673359873} H11 26 1 1 {} {0.370027430721 0.561513785753 0.25971847942} H12 27 1 1 {} {0.351850490483 0.599064532945 0.410796813133} H13 28 1 1 {} {0.466454355105 0.423927611588 0.39948914258} H14 29 1 1 {} {0.443270695858 0.455462233946 0.250484859117} H15 30 1 1 {} {0.336259086261 0.373872091632 0.432517476679} H16 31 1 1 {} {0.40712406005 0.388819091524 0.511925899973} H17 32 1 1 {} {0.306663743279 0.476828477377 0.546578446418} H18 33 1 1 {} {0.353855976408 0.491833121653 0.601837714343} H19 34 1 1 {} {0.487171954458 0.568816239597 0.307599278284} H20 35 1 1 {} {0.465489690115 0.578892726867 0.409205191571} H21 36 1 6 {} {0.653715705026 0.638622346925 0.498343724651} C4 37 1 14 {} {0.614028497516 0.574489964667 0.452608920407} Si6 38 1 14 {} {0.650694830121 0.725162348066 0.453190187103} Si7 39 1 8 {} {0.608686433123 0.583015246456 0.343193296579} O5 40 1 8 {} {0.634142509406 0.49986160007 0.475210819337} O6 41 1 6 {} {0.557620780495 0.579804313012 0.504673841636} C5 42 1 6 {} {0.602612842323 0.775107041981 0.497486182625} C6 43 1 8 {} {0.647252799398 0.713227515676 0.342794599117} O7 44 1 8 {} {0.697854164159 0.767420319068 0.469556974217} O8 45 1 14 {} {0.643485266507 0.421577112185 0.447764971957} Si8 46 1 7 {} {0.597919019224 0.369508590998 0.465254490376} N4 47 1 14 {} {0.57809915571 0.320200179255 0.376701863802} Si9 48 1 14 {} {0.572944804097 0.365255291673 0.571292057368} Si10 49 1 7 {} {0.608754035173 0.384724738012 0.65768566361} N5 50 1 7 {} {0.612345977625 0.257222618203 0.337552763657} N6 51 1 1 {} {0.64929131283 0.639922015062 0.571354381752} H22 52 1 1 {} {0.688003754133 0.620709968729 0.485917129475} H23 53 1 1 {} {0.622297505064 0.623986519501 0.319223836411} H24 54 1 1 {} {0.558088853027 0.572118868419 0.577242185208} H25 55 1 1 {} {0.536906943333 0.540429954462 0.474668991281} H26 56 1 1 {} {0.541917382074 0.628306695907 0.490816712243} H27 57 1 1 {} {0.601601838032 0.825605551117 0.468380387703} H28 58 1 1 {} {0.604848238481 0.780718855343 0.570394699817} H29 59 1 1 {} {0.570468602328 0.750892383325 0.482975444206} H30 60 1 1 {} {0.654104116693 0.751053006775 0.304267212405} H31 61 1 1 {} {0.697920925732 0.801913767021 0.514381652162} H32 62 1 1 {} {0.654638561224 0.416257075615 0.350758403378} H33 63 1 1 {} {0.682605402968 0.400928721818 0.502528006758} H34 64 1 1 {} {0.536328097066 0.289046768635 0.410447372338} H35 65 1 1 {} {0.569901761806 0.363663134592 0.297504923712} H36 66 1 1 {} {0.535153666449 0.413612626797 0.579483510837} H37 67 1 1 {} {0.556415766616 0.295297986746 0.583891970724} H38 68 1 1 {} {0.614186684188 0.43356471368 0.673662385863} H39 69 1 1 {} {0.635256825853 0.355668794851 0.672000616335} H40 70 1 1 {} {0.636791618503 0.268227566936 0.293627193547} H41 71 1 1 {} {0.621658097565 0.21840462497 0.378017594901} 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