#MD System 2.0 @Title neb0_image04 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 Spin double 0.0 WyckoffPosition int -1 @end @data 14 {} {0.84831610955 0.307125201833 0.0629441325478} Si1 1 0.0 1 14 {} {0.848680849494 0.385123798115 0.444545056562} Si2 2 0.0 1 14 {} {0.098270029801 0.306996155157 0.19298872709} Si3 3 0.0 1 14 {} {0.0984433216572 0.383136301515 0.317909432257} Si4 4 0.0 1 14 {} {0.855454930987 0.54128786117 0.436814521468} Si5 5 0.0 1 14 {} {0.103849155615 0.537462260545 0.307388596029} Si6 6 0.0 1 14 {} {0.848867538246 0.45830528166 0.0653904805372} Si7 7 0.0 1 14 {} {0.844934830631 0.229304629903 0.442204525148} Si8 8 0.0 1 14 {} {0.0993890827787 0.458330277401 0.192831795094} Si9 9 0.0 1 14 {} {0.0948159428822 0.228552982227 0.313910083249} Si10 10 0.0 1 8 {} {0.358213216363 0.594464704451 0.518029292654} O1 11 0.0 1 14 {} {0.334235177293 0.658854379324 0.525679819017} Si11 12 0.0 1 8 {} {0.11170862559 0.589510908469 0.211524994984} O2 13 0.0 1 1 {} {0.0120592962158 0.593559330363 0.151234610209} H1 14 0.0 1 8 {} {0.333891918837 0.177850936251 0.541200320982} O3 15 0.0 1 1 {} {0.933051299195 0.17473758714 0.601584159233} H2 16 0.0 1 8 {} {0.0836048213634 0.176926656742 0.215916100305} O4 17 0.0 1 1 {} {0.18268177423 0.173318286382 0.155867351868} H3 18 0.0 1 14 {} {0.848716667755 0.307661312305 0.564515081237} Si12 19 0.0 1 14 {} {0.849072516699 0.383602999127 0.938964154973} Si13 20 0.0 1 14 {} {0.098638194709 0.308079832113 0.693842961249} Si14 21 0.0 1 14 {} {0.0994104066476 0.386176083373 0.812660385974} Si15 22 0.0 1 14 {} {0.849041396204 0.537309131284 0.949095771527} Si16 23 0.0 1 14 {} {0.0994862313459 0.541785119908 0.822913029539} Si17 24 0.0 1 14 {} {0.850002364604 0.464019122281 0.561801100052} Si18 25 0.0 1 14 {} {0.844985195838 0.228506439588 0.942731910667} Si19 26 0.0 1 14 {} {0.0990202298444 0.465250285004 0.693296815232} Si20 27 0.0 1 14 {} {0.0950242798771 0.229370538224 0.814824547323} Si21 28 0.0 1 8 {} {0.362483807868 0.588648843701 0.0465705319378} O5 29 0.0 1 1 {} {0.262374966839 0.593635883759 0.105998843616} H4 30 0.0 1 8 {} {0.129865365579 0.599350328218 0.753515997414} O6 31 0.0 1 1 {} {0.0335939447689 0.622864791502 0.731922930397} H5 32 0.0 1 8 {} {0.333707770872 0.176968402918 0.0411261897702} O7 33 0.0 1 1 {} {0.932859806298 0.173419654568 0.101214708183} H6 34 0.0 1 8 {} {0.0839059272395 0.178604425478 0.714468217214} O8 35 0.0 1 1 {} {0.183384093999 0.174992155283 0.654594240932} H7 36 0.0 1 14 {} {0.348333685425 0.307086321603 0.0629862664764} Si22 37 0.0 1 14 {} {0.348998262406 0.384980538123 0.444098862422} Si23 38 0.0 1 14 {} {0.598367017584 0.3071195672 0.192940559963} Si24 39 0.0 1 14 {} {0.599216014342 0.383127289233 0.317971684176} Si25 40 0.0 1 14 {} {0.35467895559 0.541096762765 0.435674477546} Si26 41 0.0 1 14 {} {0.605678048917 0.538440830499 0.308551608685} Si27 42 0.0 1 14 {} {0.350506031329 0.458293621357 0.0664748937359} Si28 43 0.0 1 14 {} {0.34493229696 0.229065382027 0.442059278484} Si29 44 0.0 1 14 {} {0.600523713043 0.458798839481 0.194575953066} Si30 45 0.0 1 14 {} {0.594954587824 0.228679603002 0.313859073661} Si31 46 0.0 1 8 {} {0.852825730928 0.59419547253 0.525847014627} O9 47 0.0 1 1 {} {0.942953876369 0.621579271092 0.521362490615} H8 48 0.0 1 8 {} {0.61410161675 0.589740301871 0.21119310935} O10 49 0.0 1 1 {} {0.513365935023 0.593868158173 0.151624403234} H9 50 0.0 1 8 {} {0.833753504525 0.178143131815 0.541490127958} O11 51 0.0 1 1 {} {0.43308473824 0.174414322732 0.6013443291} H10 52 0.0 1 8 {} {0.58391473539 0.17706182357 0.215842162241} O12 53 0.0 1 1 {} {0.682900369468 0.173450348276 0.155707896359} H11 54 0.0 1 14 {} {0.348393654996 0.307459757828 0.564361478294} Si32 55 0.0 1 14 {} {0.349509506498 0.383709373532 0.939505048359} Si33 56 0.0 1 14 {} {0.598508342959 0.307861481686 0.693500308371} Si34 57 0.0 1 14 {} {0.599240109978 0.385842974057 0.812307797681} Si35 58 0.0 1 14 {} {0.347923063943 0.536764616719 0.950899455359} Si36 59 0.0 1 14 {} {0.596384794502 0.540610613443 0.822084108797} Si37 60 0.0 1 14 {} {0.349538574555 0.463896082665 0.562539425272} Si38 61 0.0 1 14 {} {0.344947375371 0.228476327681 0.942827402943} Si39 62 0.0 1 14 {} {0.600109550254 0.464364290172 0.692671316936} Si40 63 0.0 1 14 {} {0.594929771965 0.229241598289 0.814796456169} Si41 64 0.0 1 8 {} {0.861847226085 0.589338029629 0.0445780619828} O13 65 0.0 1 1 {} {0.762272140328 0.593979191603 0.104939328672} H12 66 0.0 1 8 {} {0.594259379721 0.595527841114 0.743727058155} O14 67 0.0 1 14 {} {0.601066038923 0.660684730128 0.739625525214} Si42 68 0.0 1 8 {} {0.833866632739 0.177013619841 0.0410695106641} O15 69 0.0 1 1 {} {0.432776485922 0.173394040158 0.101197386231} H13 70 0.0 1 8 {} {0.583778579687 0.178382500256 0.714675077646} O16 71 0.0 1 1 {} {0.683184908131 0.174899617819 0.654687674151} H14 72 0.0 1 7 {} {0.464080651633 0.683546175824 0.633259001769} N 73 0.0 1 1 {} {0.438072126758 0.744182661587 0.652949820155} H16 74 0.0 1 9 {} {0.802797078714 0.674704638233 0.721113107866} F4 75 0.0 1 9 {} {0.362083834538 0.677992345538 0.389033188862} F5 76 0.0 1 9 {} {0.556183392044 0.680152294994 0.875696409667} F3 77 0.0 1 9 {} {0.129090526689 0.668570618846 0.553689254899} F1 78 0.0 1 9 {} {0.417648842254 0.782692002696 0.675882614603} F2 79 0.0 1 9 {} {0.594419894851 0.746912409364 0.507009899981} F6 80 0.0 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} {7.6631 25.3262 10.83726 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{7.6631 0 0} {0 25.3262 0} {0 0 10.83726}} {{0.130495491381 0 0} {0 0.0394848022996 0} {0 0 0.0922742464424}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 70 63 0 0 45 38 0 0 21 19 0 0 58 42 0 0 3 1 0 0 27 20 0 0 22 6 0 0 56 54 0 0 37 3 0 0 60 26 0 1 62 24 0 1 17 16 0 0 54 43 0 0 45 43 0 0 27 25 0 0 26 21 0 0 40 10 0 0 44 6 0 0 77 11 0 0 61 36 0 0 38 0 0 0 2 0 0 0 57 19 0 0 13 12 0 0 25 0 0 0 47 46 0 0 75 11 0 0 62 60 0 1 24 1 0 0 18 7 0 0 54 37 0 0 29 28 0 0 57 56 0 0 56 18 0 0 58 28 0 0 42 8 0 0 39 38 0 0 67 66 0 0 66 59 0 0 3 2 0 0 57 55 0 0 19 0 0 0 61 27 0 0 63 25 0 0 49 48 0 0 54 20 0 0 68 33 0 0 44 39 0 0 62 57 0 0 68 25 0 0 8 6 0 0 53 52 0 0 52 45 0 0 45 7 0 0 72 11 0 0 50 7 0 0 72 67 0 0 35 34 0 0 48 41 0 0 11 10 0 0 8 5 0 0 39 1 0 0 61 32 0 0 51 14 0 0 50 15 0 0 21 20 0 0 63 61 0 0 55 42 0 0 38 36 0 0 31 30 0 0 26 24 0 1 65 64 0 0 43 9 0 0 76 67 0 0 18 1 0 0 8 3 0 0 9 7 0 0 55 21 0 0 19 6 0 0 44 42 0 0 36 2 0 0 63 56 0 0 44 41 0 0 71 70 0 0 16 9 0 0 9 2 0 0 69 32 0 0 39 37 0 0 64 22 0 0 34 27 0 0 20 18 0 0 55 36 0 0 43 14 0 0 46 4 0 0 30 23 0 0 60 37 0 0 12 5 0 0 74 67 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 70 63 {0 0 0} 0 1 45 38 {0 0 0} 0 2 19 21 {1 0 0} 0 3 42 58 {0 0 -1} 0 4 3 1 {-1 0 0} 0 5 20 27 {0 0 0} 0 6 22 6 {0 0 1} 0 7 56 54 {0 0 0} 0 8 3 37 {0 0 0} 0 9 26 60 {0 0 0} 0 10 62 24 {0 0 0} 0 11 17 16 {0 0 0} 0 12 54 43 {0 0 0} 0 13 43 45 {0 0 0} 0 14 25 27 {1 0 0} 0 15 26 21 {0 0 0} 0 16 40 10 {0 0 0} 0 17 44 6 {0 0 0} 0 18 11 77 {0 0 0} 0 19 61 36 {0 0 1} 0 20 0 38 {0 0 0} 0 21 0 2 {1 0 0} 0 22 57 19 {0 0 0} 0 23 13 12 {0 0 0} 0 24 25 0 {0 0 1} 0 25 47 46 {0 0 0} 0 26 75 11 {0 0 0} 0 27 62 60 {0 0 0} 0 28 1 24 {0 0 0} 0 29 7 18 {0 0 0} 0 30 37 54 {0 0 0} 0 31 28 29 {0 0 0} 0 32 57 56 {0 0 0} 0 33 18 56 {0 0 0} 0 34 28 58 {0 0 -1} 0 35 8 42 {0 0 0} 0 36 38 39 {0 0 0} 0 37 67 66 {0 0 0} 0 38 59 66 {0 0 0} 0 39 3 2 {0 0 0} 0 40 57 55 {0 0 0} 0 41 0 19 {0 0 -1} 0 42 27 61 {0 0 0} 0 43 63 25 {0 0 0} 0 44 48 49 {0 0 0} 0 45 54 20 {0 0 0} 0 46 68 33 {0 0 0} 0 47 39 44 {0 0 0} 0 48 62 57 {0 0 0} 0 49 25 68 {0 0 1} 0 50 6 8 {1 0 0} 0 51 53 52 {0 0 0} 0 52 45 52 {0 0 0} 0 53 45 7 {0 0 0} 0 54 72 11 {0 0 0} 0 55 50 7 {0 0 0} 0 56 72 67 {0 0 0} 0 57 34 35 {0 0 0} 0 58 41 48 {0 0 0} 0 59 10 11 {0 0 0} 0 60 8 5 {0 0 0} 0 61 1 39 {0 0 0} 0 62 61 32 {0 0 1} 0 63 14 51 {0 0 0} 0 64 50 15 {0 0 0} 0 65 20 21 {0 0 0} 0 66 63 61 {0 0 0} 0 67 55 42 {0 0 1} 0 68 38 36 {0 0 0} 0 69 30 31 {0 0 0} 0 70 26 24 {-1 0 0} 0 71 64 65 {0 0 0} 0 72 9 43 {0 0 0} 0 73 76 67 {0 0 0} 0 74 1 18 {0 0 0} 0 75 8 3 {0 0 0} 0 76 7 9 {1 0 0} 0 77 55 21 {0 0 0} 0 78 19 6 {0 0 1} 0 79 44 42 {0 0 0} 0 80 36 2 {0 0 0} 0 81 56 63 {0 0 0} 0 82 41 44 {0 0 0} 0 83 70 71 {0 0 0} 0 84 16 9 {0 0 0} 0 85 2 9 {0 0 0} 0 86 69 32 {0 0 0} 0 87 39 37 {0 0 0} 0 88 22 64 {0 0 1} 0 89 27 34 {0 0 0} 0 90 20 18 {-1 0 0} 0 91 55 36 {0 0 1} 0 92 43 14 {0 0 0} 0 93 46 4 {0 0 0} 0 94 23 30 {0 0 0} 0 95 60 37 {0 0 0} 0 96 12 5 {0 0 0} 0 97 67 74 {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