#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 {} {0.849600377663 0.308108539842 0.062227940569} Si1 1 0.0 1 14 {} {0.850330170619 0.385400543504 0.444195711488} Si2 2 0.0 1 14 {} {0.0995342373976 0.307768524814 0.192303094363} Si3 3 0.0 1 14 {} {0.0998227468338 0.38366581632 0.317596449798} Si4 4 0.0 1 14 {} {0.860679358307 0.543277985725 0.44009703556} Si5 5 0.0 1 14 {} {0.102979405927 0.537755947339 0.304269659433} Si6 6 0.0 1 14 {} {0.846673327496 0.459290082655 0.0668025016763} Si7 7 0.0 1 14 {} {0.846002201524 0.230176656644 0.442269332191} Si8 8 0.0 1 14 {} {0.0992618917863 0.458694188852 0.191831343554} Si9 9 0.0 1 14 {} {0.0957211803119 0.229373966023 0.313586658751} Si10 10 0.0 1 8 {} {0.316993591586 0.588894521015 0.53147052444} O1 11 0.0 1 14 {} {0.346707520405 0.655168485059 0.519394919874} Si11 12 0.0 1 8 {} {0.11319567205 0.589682253057 0.208191875576} O2 13 0.0 1 1 {} {0.0131910411856 0.594482790661 0.148465931922} H1 14 0.0 1 8 {} {0.334874185363 0.178119988935 0.540177595494} O3 15 0.0 1 1 {} {0.933734320369 0.175408760788 0.600890380773} H2 16 0.0 1 8 {} {0.084597530557 0.177605788008 0.215949189793} O4 17 0.0 1 1 {} {0.183556742811 0.174057513353 0.15581096246} H3 18 0.0 1 14 {} {0.85039307929 0.308411550942 0.565138088107} Si12 19 0.0 1 14 {} {0.849470390965 0.384897061572 0.93891146562} Si13 20 0.0 1 14 {} {0.0999201777453 0.309827472688 0.69497451936} Si14 21 0.0 1 14 {} {0.100851025652 0.388564738359 0.813239099361} Si15 22 0.0 1 14 {} {0.853027699402 0.537787930189 0.950846909505} Si16 23 0.0 1 14 {} {0.104601541922 0.543280973217 0.820189915794} Si17 24 0.0 1 14 {} {0.851657704373 0.464522427491 0.559997935438} Si18 25 0.0 1 14 {} {0.845977699042 0.229411206823 0.942475561478} Si19 26 0.0 1 14 {} {0.101537510348 0.466731684875 0.690216753835} Si20 27 0.0 1 14 {} {0.0961888207492 0.230670486619 0.814914756404} Si21 28 0.0 1 8 {} {0.363687670128 0.589704979148 0.0467575784565} O5 29 0.0 1 1 {} {0.263492873955 0.594254754188 0.107151076905} H4 30 0.0 1 8 {} {0.109419453614 0.603583338122 0.780359324783} O6 31 0.0 1 1 {} {0.109044231099 0.627142219923 0.707237856615} H5 32 0.0 1 8 {} {0.334948669977 0.177961188445 0.0410363542604} O7 33 0.0 1 1 {} {0.933881443709 0.1742744486 0.100987928668} H6 34 0.0 1 8 {} {0.0851412019447 0.180161874507 0.71381144797} O8 35 0.0 1 1 {} {0.184616300331 0.176277278168 0.654025598723} H7 36 0.0 1 14 {} {0.349731233291 0.308151560657 0.0624036449935} Si22 37 0.0 1 14 {} {0.350447194908 0.38463416243 0.443379467391} Si23 38 0.0 1 14 {} {0.599767837496 0.30839137887 0.192366142484} Si24 39 0.0 1 14 {} {0.600834539257 0.384419919629 0.317810146171} Si25 40 0.0 1 14 {} {0.348840817891 0.539983791654 0.436268163944} Si26 41 0.0 1 14 {} {0.606215995889 0.543670353802 0.314375777179} Si27 42 0.0 1 14 {} {0.354775587535 0.45901335826 0.0692722580963} Si28 43 0.0 1 14 {} {0.345507430271 0.229758683961 0.442153987814} Si29 44 0.0 1 14 {} {0.60237537727 0.462153759585 0.201085445948} Si30 45 0.0 1 14 {} {0.595796123913 0.229960578331 0.313881094337} Si31 46 0.0 1 8 {} {0.875106320967 0.590966091786 0.541107867349} O9 47 0.0 1 1 {} {0.954544489103 0.621568997175 0.537290854683} H8 48 0.0 1 8 {} {0.618360176259 0.591277625574 0.207634709751} O10 49 0.0 1 1 {} {0.515568234962 0.595921051462 0.150278569291} H9 50 0.0 1 8 {} {0.834591518656 0.17868626248 0.540689701301} O11 51 0.0 1 1 {} {0.433797481831 0.174778807608 0.60049488104} H10 52 0.0 1 8 {} {0.585073968472 0.178296636924 0.215912338953} O12 53 0.0 1 1 {} {0.68406618019 0.174642620252 0.155820239948} H11 54 0.0 1 14 {} {0.349077266366 0.30788748641 0.564858379675} Si32 55 0.0 1 14 {} {0.35174990177 0.385054601414 0.939587534711} Si33 56 0.0 1 14 {} {0.599576966186 0.308865881347 0.6935231425} Si34 57 0.0 1 14 {} {0.60049959592 0.387027106689 0.811819104162} Si35 58 0.0 1 14 {} {0.354670349154 0.537253228993 0.953793915576} Si36 59 0.0 1 14 {} {0.601057013018 0.541805449526 0.818233883661} Si37 60 0.0 1 14 {} {0.351502336997 0.4630752373 0.560355661687} Si38 61 0.0 1 14 {} {0.34619329042 0.229453730637 0.942673620888} Si39 62 0.0 1 14 {} {0.601602465151 0.465145515469 0.690282161257} Si40 63 0.0 1 14 {} {0.596006580786 0.230163776764 0.81460016441} Si41 64 0.0 1 8 {} {0.862006911734 0.590352748767 0.0435815038918} O13 65 0.0 1 1 {} {0.763291165196 0.594373033802 0.105781747848} H12 66 0.0 1 8 {} {0.595672322186 0.597260326978 0.742798559605} O14 67 0.0 1 14 {} {0.592129863434 0.662892073634 0.741062246334} Si42 68 0.0 1 8 {} {0.834919060876 0.177925291068 0.0408552737888} O15 69 0.0 1 1 {} {0.43395432135 0.174438500245 0.101164114244} H13 70 0.0 1 8 {} {0.584798013463 0.179384050977 0.714263827374} O16 71 0.0 1 1 {} {0.684096401428 0.175845437537 0.654219451588} H14 72 0.0 1 7 {} {0.4549473296 0.687662949829 0.635262250215} N 73 0.0 1 1 {} {0.441550179966 0.75190715876 0.646409119014} H16 74 0.0 1 9 {} {0.789466740988 0.680956772476 0.722020495868} F4 75 0.0 1 9 {} {0.274546741922 0.682632202836 0.396555389637} F5 76 0.0 1 9 {} {0.539668489021 0.680179055284 0.877822964659} F3 77 0.0 1 9 {} {0.141183339095 0.662788647875 0.587447030752} F1 78 0.0 1 9 {} {0.43689245591 0.791027468145 0.662410167949} F2 79 0.0 1 9 {} {0.544270073122 0.65840297097 0.452841051661} 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