#MD System 2.0 @Title neb0_image05 @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 {} {0.365795106008 0.565932132425 0.4125010993} C1 1 1 14 {} {0.342430098988 0.539336986569 0.523095128635} Si1 2 1 14 {} {0.427352400914 0.576504851583 0.40804377512} Si2 3 1 8 {} {0.355574640227 0.596012592283 0.599235764753} O1 4 1 8 {} {0.287458420287 0.537614465486 0.516109749013} O2 5 1 6 {} {0.361337498859 0.454068816264 0.557875275429} C2 6 1 6 {} {0.458012411086 0.495613897568 0.393488917021} C3 7 1 8 {} {0.440155865598 0.61188369172 0.50685117784} O3 8 1 8 {} {0.439828552764 0.628677911161 0.325178602757} O4 9 1 14 {} {0.237043084616 0.54201123891 0.557384181636} Si3 10 1 7 {} {0.217381191434 0.463961664763 0.591563371873} N1 11 1 14 {} {0.194899238339 0.455681552961 0.698975259455} Si4 12 1 14 {} {0.217915660798 0.396279764263 0.516496353743} Si5 13 1 7 {} {0.211829104161 0.417539122267 0.406114782138} N2 14 1 7 {} {0.14445797368 0.49465040476 0.719247350915} N3 15 1 1 {} {0.355750277992 0.530193087243 0.360214742739} H1 16 1 1 {} {0.350159889299 0.614236945966 0.395471926311} H2 17 1 1 {} {0.38544726416 0.614414161395 0.589503212949} H3 18 1 1 {} {0.352648119758 0.415481245814 0.508536261301} H4 19 1 1 {} {0.345618460737 0.440238943662 0.621577276102} H5 20 1 1 {} {0.397671845393 0.452842315368 0.56781464529} H6 21 1 1 {} {0.493901372638 0.505472780938 0.390371646007} H7 22 1 1 {} {0.448623067861 0.47159915759 0.330140616796} H8 23 1 1 {} {0.451926849054 0.460236541917 0.448309244356} H9 24 1 1 {} {0.471031635203 0.625713145768 0.513264009329} H10 25 1 1 {} {0.471714823443 0.6292747082 0.312826001124} H11 26 1 1 {} {0.235315765633 0.586259506896 0.637655224807} H12 27 1 1 {} {0.208142513074 0.570205201895 0.485754713383} H13 28 1 1 {} {0.188207934072 0.382595150591 0.713314408446} H14 29 1 1 {} {0.226435152429 0.484853792248 0.765069078727} H15 30 1 1 {} {0.261198890711 0.359702150968 0.522322116762} H16 31 1 1 {} {0.180329916926 0.351634768471 0.543114989902} H17 32 1 1 {} {0.238839354278 0.43214126369 0.370044812} H18 33 1 1 {} {0.183831745755 0.440869756378 0.383933592012} H19 34 1 1 {} {0.143696908503 0.544274547187 0.734188889018} H20 35 1 1 {} {0.116444848883 0.480931605959 0.685656844376} H21 36 1 6 {} {0.625323722901 0.626838215884 0.350435769416} C4 37 1 14 {} {0.582616477135 0.564289713874 0.387932332211} Si6 38 1 14 {} {0.61950748064 0.715225084199 0.387060059347} Si7 39 1 8 {} {0.532975170741 0.601828425145 0.382596147639} O5 40 1 8 {} {0.58278934274 0.499850753435 0.320734223371} O6 41 1 6 {} {0.593073290681 0.532288534261 0.502899806881} C5 42 1 6 {} {0.63761242674 0.732250411416 0.504229556024} C6 43 1 8 {} {0.564614055216 0.730089724045 0.375545920426} O7 44 1 8 {} {0.647216358359 0.764562368272 0.317190358319} O8 45 1 14 {} {0.576338981761 0.439366258669 0.247803078557} Si8 46 1 7 {} {0.588885660593 0.361269591985 0.29086245783} N4 47 1 14 {} {0.545250008824 0.305050270086 0.314544460879} Si9 48 1 14 {} {0.643456102682 0.335950026255 0.316165107481} Si10 49 1 7 {} {0.68450037738 0.382116112628 0.265068348456} N5 50 1 7 {} {0.521364622893 0.261920964301 0.227336190232} N6 51 1 1 {} {0.658654989065 0.608462843714 0.369217896415} H22 52 1 1 {} {0.624361294015 0.627527983105 0.276815508625} H23 53 1 1 {} {0.535475034767 0.650745544045 0.378093872508} H24 54 1 1 {} {0.6251694333 0.505713246572 0.505647199097} H25 55 1 1 {} {0.566903480521 0.496813666957 0.523083431032} H26 56 1 1 {} {0.593950776382 0.572846656421 0.552454730124} H27 57 1 1 {} {0.632354957541 0.785029555251 0.522391865606} H28 58 1 1 {} {0.67320592233 0.720856373608 0.513596137274} H29 59 1 1 {} {0.618633981242 0.701713585768 0.552003226694} H30 60 1 1 {} {0.554132189854 0.775908127227 0.372595315909} H31 61 1 1 {} {0.665118508599 0.800260253261 0.342217143469} H32 62 1 1 {} {0.528697652092 0.437427212713 0.21912187528} H33 63 1 1 {} {0.60560568244 0.455443409467 0.170430315433} H34 64 1 1 {} {0.565206934803 0.254225568961 0.375593373544} H35 65 1 1 {} {0.508406806996 0.343024306413 0.357723172864} H36 66 1 1 {} {0.652715604617 0.342041645573 0.413685634083} H37 67 1 1 {} {0.64723683602 0.264506845698 0.288050821932} H38 68 1 1 {} {0.69776262888 0.422956209253 0.29536295199} H39 69 1 1 {} {0.68747924641 0.385085296896 0.197602873654} H40 70 1 1 {} {0.499172007097 0.285069944857 0.186590270719} H41 71 1 1 {} {0.538746394616 0.226441665827 0.193625140185} 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