#MD System 2.0 @Title neb0_image08 @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 {} {0.22089349336 0.525831466439 0.335498354363} C1 1 1 14 {} {0.274869363228 0.488797541817 0.293670258436} Si1 2 1 14 {} {0.174235439894 0.534295787408 0.254433088217} Si2 3 1 8 {} {0.287425340259 0.521919490005 0.195867156246} O1 4 1 8 {} {0.314843678869 0.509224913726 0.364545607013} O2 5 1 6 {} {0.272873125366 0.395648827874 0.286599625972} C2 6 1 6 {} {0.142665222656 0.454589832172 0.236738531665} C3 7 1 8 {} {0.198725185636 0.560211620945 0.160202135784} O3 8 1 8 {} {0.138870818302 0.595346451125 0.281379624186} O4 9 1 14 {} {0.366312207901 0.537869219108 0.369718165058} Si3 10 1 7 {} {0.401030623368 0.475082578748 0.41139453202} N1 11 1 14 {} {0.453479950362 0.471793037472 0.368131167795} Si4 12 1 14 {} {0.380446756169 0.421208225534 0.494822086762} Si5 13 1 7 {} {0.351535460582 0.458648705734 0.579544539335} N2 14 1 7 {} {0.471468030722 0.553501567821 0.368411528273} N3 15 1 1 {} {0.209305019133 0.497193669481 0.393919773192} H1 16 1 1 {} {0.228755392402 0.57663771779 0.359627641235} H2 17 1 1 {} {0.261909153967 0.542028522531 0.165081851129} H3 18 1 1 {} {0.267721891907 0.372662695489 0.352435943186} H4 19 1 1 {} {0.304591174211 0.376599274229 0.259861384135} H5 20 1 1 {} {0.246105366208 0.378540131427 0.241930440918} H6 21 1 1 {} {0.116156787941 0.46077896624 0.186658890303} H7 22 1 1 {} {0.127132205557 0.436832566332 0.298918626461} H8 23 1 1 {} {0.165079350843 0.414782716889 0.213101109627} H9 24 1 1 {} {0.18021105681 0.583225473304 0.116969485351} H10 25 1 1 {} {0.110485347924 0.583065284025 0.307467239728} H11 26 1 1 {} {0.38267236661 0.558022524296 0.279891171327} H12 27 1 1 {} {0.36518536734 0.596835195655 0.430700215107} H13 28 1 1 {} {0.479551419674 0.421897110928 0.422721523643} H14 29 1 1 {} {0.457703488692 0.455909968741 0.273381107618} H15 30 1 1 {} {0.349227741507 0.371777328206 0.45379474084} H16 31 1 1 {} {0.420168208756 0.386669996054 0.533264557459} H17 32 1 1 {} {0.320008388274 0.475166058369 0.568558578432} H18 33 1 1 {} {0.367491672147 0.489030442986 0.623388091869} H19 34 1 1 {} {0.499406395338 0.568120184038 0.330854498056} H20 35 1 1 {} {0.477742355998 0.576418768974 0.429382065568} H21 36 1 6 {} {0.63953429236 0.640073153292 0.477011923997} C4 37 1 14 {} {0.600765754698 0.576525268741 0.430699562281} Si6 38 1 14 {} {0.637009462236 0.726654972945 0.432445517242} Si7 39 1 8 {} {0.597036540108 0.584447941009 0.319932398799} O5 40 1 8 {} {0.619464400207 0.501577069296 0.453476057932} O6 41 1 6 {} {0.547219014385 0.583972488124 0.484499496071} C5 42 1 6 {} {0.589366216462 0.777135138684 0.477053228998} C6 43 1 8 {} {0.632634517241 0.715822235902 0.32181284772} O7 44 1 8 {} {0.684523209793 0.768040711357 0.448019797136} O8 45 1 14 {} {0.629998727535 0.423252737353 0.425699817916} Si8 46 1 7 {} {0.584825177874 0.371614209475 0.444314544344} N4 47 1 14 {} {0.565480095111 0.321544693997 0.355235956203} Si9 48 1 14 {} {0.559860881567 0.368017765309 0.549433703002} Si10 49 1 7 {} {0.595397048631 0.386798226881 0.637157684944} N5 50 1 7 {} {0.600171971674 0.259404565305 0.317857434032} N6 51 1 1 {} {0.635124196151 0.641508045403 0.550148561823} H22 52 1 1 {} {0.673454670451 0.621327360959 0.464752467195} H23 53 1 1 {} {0.609796765322 0.626849654261 0.297866504843} H24 54 1 1 {} {0.543640403754 0.572759993459 0.553654623272} H25 55 1 1 {} {0.527940456349 0.543752499765 0.452800524828} H26 56 1 1 {} {0.529039178576 0.631865366381 0.468249056076} H27 57 1 1 {} {0.588583566315 0.827545335137 0.447684496056} H28 58 1 1 {} {0.59139913799 0.782635922882 0.550026709331} H29 59 1 1 {} {0.557267948739 0.75298315275 0.461898758871} H30 60 1 1 {} {0.640649250066 0.753295613627 0.283919956878} H31 61 1 1 {} {0.68489675674 0.803061259667 0.492619705539} H32 62 1 1 {} {0.641655039156 0.418562235127 0.328947105862} H33 63 1 1 {} {0.669310393079 0.403271161487 0.480544624377} H34 64 1 1 {} {0.523459355623 0.290236078108 0.388215740574} H35 65 1 1 {} {0.557028613623 0.365078551839 0.275813187937} H36 66 1 1 {} {0.523055995715 0.417418610704 0.55711265943} H37 67 1 1 {} {0.542900740265 0.298606723996 0.562176191344} H38 68 1 1 {} {0.601901833023 0.435525621624 0.652358748293} H39 69 1 1 {} {0.622474496924 0.357610475991 0.650537686354} H40 70 1 1 {} {0.624796487435 0.270543826555 0.273867677424} H41 71 1 1 {} {0.609730414729 0.221820425711 0.359097826469} 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