#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 {} {0.221025856985 0.525798467085 0.33565731935} C1 1 1 14 {} {0.274977610302 0.488805101564 0.293878017903} Si1 2 1 14 {} {0.174362735717 0.534259210283 0.254628419331} Si2 3 1 8 {} {0.287525393044 0.521843715318 0.196022411986} O1 4 1 8 {} {0.314900454018 0.509210220379 0.364738185025} O2 5 1 6 {} {0.272993837094 0.395615196018 0.286803218351} C2 6 1 6 {} {0.14278238071 0.454565337132 0.236913706879} C3 7 1 8 {} {0.198851891857 0.560232642789 0.160392290298} O3 8 1 8 {} {0.13898503422 0.59530512525 0.281598919668} O4 9 1 14 {} {0.366393737535 0.538043817384 0.369742232209} Si3 10 1 7 {} {0.400530588395 0.474763285204 0.411972739024} N1 11 1 14 {} {0.453593321542 0.47169138662 0.367773512514} Si4 12 1 14 {} {0.380585873677 0.420906019277 0.494863497196} Si5 13 1 7 {} {0.351593188717 0.458653968476 0.579923491554} N2 14 1 7 {} {0.47072596614 0.554619398651 0.36661319352} N3 15 1 1 {} {0.209416529106 0.497169733756 0.394111077996} H1 16 1 1 {} {0.228882700427 0.576632450063 0.359804486395} H2 17 1 1 {} {0.262028952656 0.542007114283 0.165251939519} H3 18 1 1 {} {0.267832660166 0.372621607524 0.352624019386} H4 19 1 1 {} {0.304705241183 0.37655746202 0.260059812679} H5 20 1 1 {} {0.246216296342 0.37852579235 0.242118023544} H6 21 1 1 {} {0.116272478377 0.460770383979 0.18684669946} H7 22 1 1 {} {0.127244005743 0.436825019774 0.299108671738} H8 23 1 1 {} {0.165185308712 0.414756390297 0.213294628763} H9 24 1 1 {} {0.180313167667 0.583214705892 0.117153257841} H10 25 1 1 {} {0.110596652962 0.583013508568 0.307674685991} H11 26 1 1 {} {0.382741223233 0.557971251833 0.280083660998} H12 27 1 1 {} {0.365317087595 0.596778800126 0.430902921527} H13 28 1 1 {} {0.479607878844 0.422276920029 0.422529208195} H14 29 1 1 {} {0.457713172665 0.455116572363 0.272380591708} H15 30 1 1 {} {0.349355428812 0.371777322396 0.454041729162} H16 31 1 1 {} {0.42026869605 0.386690597409 0.533408028934} H17 32 1 1 {} {0.320046229689 0.475176625347 0.56871871169} H18 33 1 1 {} {0.367624256995 0.489082854537 0.623703145431} H19 34 1 1 {} {0.498668369731 0.567496183821 0.330746111648} H20 35 1 1 {} {0.475695970573 0.576372542318 0.427093350947} H21 36 1 6 {} {0.639884106736 0.640411787826 0.476911294254} C4 37 1 14 {} {0.601584610841 0.576876489883 0.430306223049} Si6 38 1 14 {} {0.636903843792 0.72672592473 0.432134122082} Si7 39 1 8 {} {0.596774813938 0.584678342631 0.320477724388} O5 40 1 8 {} {0.619495649197 0.501306869793 0.453227019395} O6 41 1 6 {} {0.547208888735 0.58465748469 0.48516565755} C5 42 1 6 {} {0.589255515213 0.777123979749 0.476871536611} C6 43 1 8 {} {0.632556274801 0.715832263068 0.321645541009} O7 44 1 8 {} {0.684438258377 0.768118244539 0.447797859411} O8 45 1 14 {} {0.629978699121 0.423360463939 0.425585215006} Si8 46 1 7 {} {0.584645925077 0.371429267 0.443665491711} N4 47 1 14 {} {0.56524249294 0.321912606459 0.3551647263} Si9 48 1 14 {} {0.559924753928 0.3680272949 0.549941535592} Si10 49 1 7 {} {0.595291050365 0.386796688496 0.636789816379} N5 50 1 7 {} {0.600061121985 0.259304221762 0.317554930201} N6 51 1 1 {} {0.635024917963 0.641490378632 0.549811799588} H22 52 1 1 {} {0.673665541503 0.621504198915 0.464590573012} H23 53 1 1 {} {0.609541873111 0.626639391449 0.297842838215} H24 54 1 1 {} {0.544177410002 0.57320645681 0.556064572022} H25 55 1 1 {} {0.529644529036 0.543097492206 0.454171336276} H26 56 1 1 {} {0.529457504458 0.631309476963 0.468698545311} H27 57 1 1 {} {0.588472667173 0.827568041493 0.447480173486} H28 58 1 1 {} {0.591282461969 0.782665337395 0.549824056796} H29 59 1 1 {} {0.55716068362 0.753026578585 0.461715603065} H30 60 1 1 {} {0.640525761488 0.75329105831 0.283727719465} H31 61 1 1 {} {0.684783822834 0.80312091203 0.49244511636} H32 62 1 1 {} {0.641524151878 0.418586382716 0.328785262474} H33 63 1 1 {} {0.66920039694 0.403314362344 0.480361416576} H34 64 1 1 {} {0.523376354582 0.290253222152 0.388037136552} H35 65 1 1 {} {0.556930814106 0.365028030939 0.2757768979} H36 66 1 1 {} {0.522928629932 0.417488287873 0.557128536349} H37 67 1 1 {} {0.542769807679 0.29860055009 0.561955959321} H38 68 1 1 {} {0.601760482894 0.435391394232 0.65212231056} H39 69 1 1 {} {0.622293123936 0.357719052948 0.650325712462} H40 70 1 1 {} {0.624721799668 0.270587745271 0.273560097498} H41 71 1 1 {} {0.609628938205 0.221705941623 0.358967845766} 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