#MD System 2.0 @Title neb0_image09 @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 {} {0.849572733761 0.308076261761 0.0623475775463} Si1 1 0.0 1 14 {} {0.850262341347 0.385386403223 0.444262657208} Si2 2 0.0 1 14 {} {0.0995180937429 0.307729278649 0.19233400679} Si3 3 0.0 1 14 {} {0.0997344173065 0.383674927411 0.317578799972} Si4 4 0.0 1 14 {} {0.860742843069 0.54321799216 0.4396044098} Si5 5 0.0 1 14 {} {0.102906055253 0.537739617436 0.304605780418} Si6 6 0.0 1 14 {} {0.84682368118 0.45927770407 0.0667567012207} Si7 7 0.0 1 14 {} {0.845968338609 0.230124961928 0.442246476447} Si8 8 0.0 1 14 {} {0.0992939795907 0.45870953529 0.191943250145} Si9 9 0.0 1 14 {} {0.0956751606098 0.229322206131 0.313597676642} Si10 10 0.0 1 8 {} {0.325377591624 0.59046331765 0.527917319078} O1 11 0.0 1 14 {} {0.34689455274 0.657871513679 0.518659108135} Si11 12 0.0 1 8 {} {0.113249442033 0.58956467756 0.208387955611} O2 13 0.0 1 1 {} {0.0131868354356 0.594438730939 0.148746142014} H1 14 0.0 1 8 {} {0.334837797299 0.178091990407 0.540226220112} O3 15 0.0 1 1 {} {0.933725964068 0.175385210111 0.600926651845} H2 16 0.0 1 8 {} {0.0845590563477 0.17755768518 0.215928921779} O4 17 0.0 1 1 {} {0.183555339436 0.174019138524 0.155810277766} H3 18 0.0 1 14 {} {0.850296155042 0.308364218208 0.565122632007} Si12 19 0.0 1 14 {} {0.849329654932 0.384850858442 0.938978042919} Si13 20 0.0 1 14 {} {0.0998669460678 0.309765614366 0.694822884325} Si14 21 0.0 1 14 {} {0.100777253198 0.388437238541 0.813215715653} Si15 22 0.0 1 14 {} {0.852571012367 0.537680235274 0.95083956283} Si16 23 0.0 1 14 {} {0.104291088404 0.542684188332 0.820967163901} Si17 24 0.0 1 14 {} {0.851422934993 0.464512832089 0.559988602079} Si18 25 0.0 1 14 {} {0.845974487331 0.229372811008 0.942493987117} Si19 26 0.0 1 14 {} {0.101412535369 0.466562696847 0.690059738858} Si20 27 0.0 1 14 {} {0.0961403385952 0.230610396734 0.814928753039} Si21 28 0.0 1 8 {} {0.363603635456 0.589621818342 0.0466676815462} O5 29 0.0 1 1 {} {0.263420633925 0.594219480346 0.10710610174} H4 30 0.0 1 8 {} {0.109355416455 0.604134765763 0.780924996255} O6 31 0.0 1 1 {} {0.107754151979 0.626982788309 0.705842664734} H5 32 0.0 1 8 {} {0.334884548301 0.177899720638 0.0410517607107} O7 33 0.0 1 1 {} {0.933869811022 0.174226916857 0.100993130409} H6 34 0.0 1 8 {} {0.0850587424331 0.180099563443 0.713806705283} O8 35 0.0 1 1 {} {0.184593095336 0.176215978455 0.654062410503} H7 36 0.0 1 14 {} {0.349675540363 0.308107896847 0.062506644965} Si22 37 0.0 1 14 {} {0.350347524518 0.384665548515 0.443319930663} Si23 38 0.0 1 14 {} {0.599702593295 0.308346711517 0.192340457202} Si24 39 0.0 1 14 {} {0.600811496546 0.384374523135 0.317889243} Si25 40 0.0 1 14 {} {0.349145493186 0.540183699371 0.435504867724} Si26 41 0.0 1 14 {} {0.60679514915 0.542965789223 0.313634621458} Si27 42 0.0 1 14 {} {0.354558011813 0.45902554765 0.0692350325696} Si28 43 0.0 1 14 {} {0.345487584005 0.229723198089 0.442139335201} Si29 44 0.0 1 14 {} {0.602295684638 0.46189378096 0.200755208888} Si30 45 0.0 1 14 {} {0.595805121293 0.229890269909 0.313890996217} Si31 46 0.0 1 8 {} {0.874066385069 0.591031831162 0.540711545744} O9 47 0.0 1 1 {} {0.953729693081 0.621602519836 0.535848189064} H8 48 0.0 1 8 {} {0.61753317556 0.591395975232 0.208696998208} O10 49 0.0 1 1 {} {0.515423372972 0.595799459468 0.15046859898} H9 50 0.0 1 8 {} {0.834575981762 0.178644921229 0.540712851112} O11 51 0.0 1 1 {} {0.433808689844 0.174764506538 0.600522708633} H10 52 0.0 1 8 {} {0.585046546297 0.178228147522 0.215900766479} O12 53 0.0 1 1 {} {0.684033261045 0.174585271862 0.155794949204} H11 54 0.0 1 14 {} {0.349068826329 0.30787902798 0.564874658485} Si32 55 0.0 1 14 {} {0.351620145171 0.384999850858 0.939642675723} Si33 56 0.0 1 14 {} {0.599543050006 0.308817171656 0.693495626513} Si34 57 0.0 1 14 {} {0.600392205141 0.387005569138 0.811908086721} Si35 58 0.0 1 14 {} {0.35451162243 0.537209400885 0.953654125679} Si36 59 0.0 1 14 {} {0.601228667731 0.541659297564 0.818659355206} Si37 60 0.0 1 14 {} {0.35171835776 0.463134664385 0.560485243787} Si38 61 0.0 1 14 {} {0.346213471653 0.229393107689 0.942663175953} Si39 62 0.0 1 14 {} {0.601618852689 0.465104884731 0.690491936738} Si40 63 0.0 1 14 {} {0.595990379165 0.230108269864 0.814610738269} Si41 64 0.0 1 8 {} {0.861948940916 0.590269146589 0.0434747228974} O13 65 0.0 1 1 {} {0.763323326836 0.594372280343 0.105686454511} H12 66 0.0 1 8 {} {0.595622605668 0.596963131828 0.742819006023} O14 67 0.0 1 14 {} {0.593575405363 0.662485692423 0.742576147765} Si42 68 0.0 1 8 {} {0.834881959099 0.17787875492 0.0408757575361} O15 69 0.0 1 1 {} {0.433905716163 0.174393504398 0.10117425597} H13 70 0.0 1 8 {} {0.584747831303 0.179325141699 0.714255465572} O16 71 0.0 1 1 {} {0.684087030614 0.175789886571 0.654238123176} H14 72 0.0 1 7 {} {0.450071559217 0.688205610112 0.641086753916} N 73 0.0 1 1 {} {0.441920788286 0.751800862017 0.646523510485} H16 74 0.0 1 9 {} {0.790614186877 0.680827786897 0.721443061499} F4 75 0.0 1 9 {} {0.266915453069 0.682462003907 0.393183458725} F5 76 0.0 1 9 {} {0.539990128297 0.6802674048 0.878856876233} F3 77 0.0 1 9 {} {0.138883893453 0.662990090238 0.587763679583} F1 78 0.0 1 9 {} {0.436333697728 0.790826139775 0.662322324182} F2 79 0.0 1 9 {} {0.553966601374 0.658142753915 0.453860703138} 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 79 11 0 0 45 38 0 0 21 19 0 0 78 73 0 0 3 1 0 0 27 20 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 1 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 1 36 2 0 0 63 56 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 11 79 {0 0 0} 0 2 45 38 {0 0 0} 0 3 19 21 {1 0 0} 0 4 73 78 {0 0 0} 0 5 3 1 {-1 0 0} 0 6 20 27 {0 0 0} 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 33 68 {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 70 71 {0 0 0} 0 83 16 9 {0 0 0} 0 84 2 9 {0 0 0} 0 85 69 32 {0 0 0} 0 86 39 37 {0 0 0} 0 87 22 64 {0 0 1} 0 88 27 34 {0 0 0} 0 89 20 18 {-1 0 0} 0 90 55 36 {0 0 1} 0 91 43 14 {0 0 0} 0 92 46 4 {0 0 0} 0 93 23 30 {0 0 0} 0 94 60 37 {0 0 0} 0 95 12 5 {0 0 0} 0 96 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