#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 {} {0.207855175996 0.528238413989 0.314015466744} C1 1 1 14 {} {0.261643927279 0.491022940926 0.272295783768} Si1 2 1 14 {} {0.161187804301 0.536626522815 0.233047109556} Si2 3 1 8 {} {0.274032509158 0.523268649183 0.173885181299} O1 4 1 8 {} {0.301837300889 0.511516786858 0.34284994809} O2 5 1 6 {} {0.25962208396 0.397901988776 0.265616284669} C2 6 1 6 {} {0.129494264716 0.457053068132 0.215323714121} C3 7 1 8 {} {0.185648585399 0.562586549579 0.13880823132} O3 8 1 8 {} {0.125945707236 0.597675615017 0.260683547547} O4 9 1 14 {} {0.353201117941 0.540628728493 0.348729632021} Si3 10 1 7 {} {0.387868335473 0.47759151095 0.390227168789} N1 11 1 14 {} {0.441965414317 0.475568838155 0.348064759167} Si4 12 1 14 {} {0.367529746219 0.423225415166 0.472922719982} Si5 13 1 7 {} {0.338255753734 0.46090230221 0.558354157365} N2 14 1 7 {} {0.463194204937 0.555742766433 0.353139973837} N3 15 1 1 {} {0.196193489742 0.49967947353 0.372478481962} H1 16 1 1 {} {0.21576101461 0.57911207922 0.33792716161} H2 17 1 1 {} {0.24880032979 0.544456937238 0.143456998577} H3 18 1 1 {} {0.254421476475 0.374694631212 0.331247709158} H4 19 1 1 {} {0.29130760757 0.378774533558 0.23886628832} H5 20 1 1 {} {0.23285188468 0.381031978795 0.220772986885} H6 21 1 1 {} {0.103004271279 0.463451165353 0.165230567189} H7 22 1 1 {} {0.11387541822 0.439485438045 0.277538466827} H8 23 1 1 {} {0.15179799079 0.417084348709 0.19179840827} H9 24 1 1 {} {0.16700671145 0.585712278247 0.095883641333} H10 25 1 1 {} {0.0974656835142 0.58524059256 0.286269287575} H11 26 1 1 {} {0.369650065851 0.560682242895 0.259093012779} H12 27 1 1 {} {0.351999667069 0.599298463474 0.409750924035} H13 28 1 1 {} {0.466303083586 0.423719035263 0.401108012354} H14 29 1 1 {} {0.444195730797 0.457801352401 0.251684082692} H15 30 1 1 {} {0.336121634676 0.374160901287 0.432429560316} H16 31 1 1 {} {0.407032738126 0.388955669298 0.511905284876} H17 32 1 1 {} {0.306681768381 0.477485418329 0.54707999615} H18 33 1 1 {} {0.354182843052 0.491664852439 0.602075719404} H19 34 1 1 {} {0.487129822734 0.570073088342 0.308996317516} H20 35 1 1 {} {0.468588888252 0.578011919407 0.413119287861} H21 36 1 6 {} {0.652750331232 0.637908152666 0.498439605604} C4 37 1 14 {} {0.613349983077 0.574028620894 0.451155146503} Si6 38 1 14 {} {0.650250708211 0.72443502852 0.45353454343} Si7 39 1 8 {} {0.609970390518 0.58239357436 0.341456553187} O5 40 1 8 {} {0.633199127529 0.499368777026 0.474975631873} O6 41 1 6 {} {0.556633335852 0.58002750707 0.501625622309} C5 42 1 6 {} {0.602547256603 0.774826686441 0.498301963364} C6 43 1 8 {} {0.646494527183 0.713309320389 0.343000254999} O7 44 1 8 {} {0.697733206804 0.765985595934 0.469363449957} O8 45 1 14 {} {0.643324298382 0.421314323031 0.447425257723} Si8 46 1 7 {} {0.597954403036 0.369000058531 0.465193845802} N4 47 1 14 {} {0.578382134344 0.31981798705 0.3768480679} Si9 48 1 14 {} {0.573092868801 0.365516760544 0.571470784673} Si10 49 1 7 {} {0.608453308536 0.38443888579 0.658111680711} N5 50 1 7 {} {0.613082185852 0.256989597368 0.338789955124} N6 51 1 1 {} {0.648462780962 0.639206962854 0.571478901642} H22 52 1 1 {} {0.68685302199 0.619411462226 0.485964244727} H23 53 1 1 {} {0.622832847079 0.624256483888 0.319033795283} H24 54 1 1 {} {0.556434799503 0.570637082009 0.573892963967} H25 55 1 1 {} {0.535397050154 0.542128444132 0.469776391607} H26 56 1 1 {} {0.541705752531 0.629462336329 0.48951200732} H27 57 1 1 {} {0.601705902926 0.825252168856 0.468863573928} H28 58 1 1 {} {0.604565634784 0.780409003079 0.571286673647} H29 59 1 1 {} {0.570428781824 0.750727412399 0.483291501445} H30 60 1 1 {} {0.653896258948 0.75095159502 0.30490102767} H31 61 1 1 {} {0.698010661959 0.800939638726 0.514020816614} H32 62 1 1 {} {0.654727012448 0.416212965298 0.350420305782} H33 63 1 1 {} {0.682539199868 0.400926483404 0.502102222524} H34 64 1 1 {} {0.536522916312 0.288120611851 0.409621697168} H35 65 1 1 {} {0.570113785892 0.36277519848 0.297233157652} H36 66 1 1 {} {0.535801767335 0.414731546914 0.578530469186} H37 67 1 1 {} {0.556193047035 0.295792235124 0.583586092161} H38 68 1 1 {} {0.614866059414 0.433128724675 0.6734407135} H39 69 1 1 {} {0.635515156429 0.355439148167 0.671963627181} H40 70 1 1 {} {0.637662039703 0.268195942851 0.294662811734} H41 71 1 1 {} {0.622571304617 0.219110015148 0.379856846125} 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