#MD System 2.0 @Title neb0_image06 @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 {} {0.848918693625 0.307552423123 0.062854362218} Si1 1 0.0 1 14 {} {0.849469260305 0.385265010659 0.444397195646} Si2 2 0.0 1 14 {} {0.0988066765794 0.307347174489 0.192525040636} Si3 3 0.0 1 14 {} {0.0990651524555 0.383389427396 0.317754488919} Si4 4 0.0 1 14 {} {0.858232415193 0.541734856327 0.436718526727} Si5 5 0.0 1 14 {} {0.102911168344 0.537442382539 0.306336853992} Si6 6 0.0 1 14 {} {0.847545344297 0.458840467414 0.0662618367757} Si7 7 0.0 1 14 {} {0.845269146278 0.229656259657 0.442031609998} Si8 8 0.0 1 14 {} {0.0992507292419 0.4584641848 0.192197163807} Si9 9 0.0 1 14 {} {0.0951185215266 0.228912480369 0.313983955819} Si10 10 0.0 1 8 {} {0.34061047013 0.592070356533 0.525618330542} O1 11 0.0 1 14 {} {0.335497279789 0.656709876085 0.523130677557} Si11 12 0.0 1 8 {} {0.112700494677 0.589695103554 0.210179970387} O2 13 0.0 1 1 {} {0.0125332403956 0.593895157494 0.149991818616} H1 14 0.0 1 8 {} {0.334253529319 0.177942270741 0.540747906168} O3 15 0.0 1 1 {} {0.933294597009 0.175066753526 0.601337176523} H2 16 0.0 1 8 {} {0.0840213659522 0.177205503881 0.215975476069} O4 17 0.0 1 1 {} {0.183019994626 0.173675051703 0.155836331709} H3 18 0.0 1 14 {} {0.84932169136 0.307985305496 0.564909049561} Si12 19 0.0 1 14 {} {0.849289846887 0.384195245859 0.938945946485} Si13 20 0.0 1 14 {} {0.0990683672417 0.308878861658 0.694120702936} Si14 21 0.0 1 14 {} {0.100108822794 0.387298689993 0.812768623822} Si15 22 0.0 1 14 {} {0.851527598352 0.537136984061 0.949272302074} Si16 23 0.0 1 14 {} {0.100769915691 0.538831858866 0.825609913716} Si17 24 0.0 1 14 {} {0.85093112475 0.464195732526 0.561255917991} Si18 25 0.0 1 14 {} {0.845287074051 0.228889403024 0.942501279839} Si19 26 0.0 1 14 {} {0.100325119543 0.465578640966 0.691073537513} Si20 27 0.0 1 14 {} {0.0954008948811 0.22996245313 0.815056050609} Si21 28 0.0 1 8 {} {0.362841770417 0.589380570081 0.046640320125} O5 29 0.0 1 1 {} {0.262524234032 0.593784268725 0.106624616614} H4 30 0.0 1 8 {} {0.116182328959 0.601791961821 0.768477691239} O6 31 0.0 1 1 {} {0.0697432307253 0.627612335775 0.713433648833} H5 32 0.0 1 8 {} {0.334211482942 0.177367530899 0.0410815999436} O7 33 0.0 1 1 {} {0.93324374514 0.173833416595 0.101171747309} H6 34 0.0 1 8 {} {0.0844144314848 0.179279473898 0.714239111947} O8 35 0.0 1 1 {} {0.183858897321 0.175597029651 0.654363401373} H7 36 0.0 1 14 {} {0.348917627984 0.307562402304 0.0629714508678} Si22 37 0.0 1 14 {} {0.349681896529 0.384715026972 0.443650757784} Si23 38 0.0 1 14 {} {0.598981306327 0.307700674423 0.19245020249} Si24 39 0.0 1 14 {} {0.599934034209 0.383814396103 0.317820858424} Si25 40 0.0 1 14 {} {0.351556491876 0.538667848318 0.432845758572} Si26 41 0.0 1 14 {} {0.606333957225 0.540521976607 0.311661285154} Si27 42 0.0 1 14 {} {0.352466224115 0.458628864791 0.0679264923538} Si28 43 0.0 1 14 {} {0.345079446196 0.229353795038 0.441895319898} Si29 44 0.0 1 14 {} {0.601121851796 0.460408462935 0.197740290144} Si30 45 0.0 1 14 {} {0.595214049014 0.229210371036 0.314069784079} Si31 46 0.0 1 8 {} {0.861376354399 0.593240305093 0.532828130573} O9 47 0.0 1 1 {} {0.949119640189 0.621389461211 0.529368967578} H8 48 0.0 1 8 {} {0.616193136832 0.59059711385 0.209316862418} O10 49 0.0 1 1 {} {0.514079886971 0.594638503032 0.150379665919} H9 50 0.0 1 8 {} {0.834079959784 0.178343926091 0.541146171333} O11 51 0.0 1 1 {} {0.43329566563 0.174610945876 0.601025485961} H10 52 0.0 1 8 {} {0.584395779419 0.177558845553 0.215881042508} O12 53 0.0 1 1 {} {0.683360718237 0.17399012426 0.155711184724} H11 54 0.0 1 14 {} {0.348595315158 0.307637592214 0.564822475202} Si32 55 0.0 1 14 {} {0.350454400112 0.384277528956 0.939434050692} Si33 56 0.0 1 14 {} {0.598898134749 0.308283840031 0.693272607961} Si34 57 0.0 1 14 {} {0.599793065052 0.386319812528 0.812214638994} Si35 58 0.0 1 14 {} {0.351508741797 0.536815358524 0.95133169432} Si36 59 0.0 1 14 {} {0.599561675775 0.540260745931 0.822338296757} Si37 60 0.0 1 14 {} {0.350698747809 0.463092848561 0.56198179059} Si38 61 0.0 1 14 {} {0.345351330756 0.228902193816 0.942650447346} Si39 62 0.0 1 14 {} {0.600846975101 0.464594236419 0.690998600931} Si40 63 0.0 1 14 {} {0.595257383631 0.229643039283 0.814925653624} Si41 64 0.0 1 8 {} {0.862207636542 0.589954520147 0.0440192148997} O13 65 0.0 1 1 {} {0.762965505812 0.593838663899 0.105142017582} H12 66 0.0 1 8 {} {0.592874364599 0.596436915809 0.741935708907} O14 67 0.0 1 14 {} {0.602958160273 0.659973088136 0.744351819981} Si42 68 0.0 1 8 {} {0.834298156043 0.177367473869 0.040965593199} O15 69 0.0 1 1 {} {0.433249066853 0.173878397604 0.101204379936} H13 70 0.0 1 8 {} {0.584182148558 0.178809838066 0.714538355763} O16 71 0.0 1 1 {} {0.683518975336 0.175363949184 0.654476477979} H14 72 0.0 1 7 {} {0.460378276132 0.686984473365 0.635831205778} N 73 0.0 1 1 {} {0.443011521809 0.749293152313 0.648429601781} H16 74 0.0 1 9 {} {0.797464130099 0.677952895653 0.720788310287} F4 75 0.0 1 9 {} {0.31757784256 0.680592673711 0.385349222303} F5 76 0.0 1 9 {} {0.546820627524 0.680729429968 0.876534453906} F3 77 0.0 1 9 {} {0.139863619168 0.665894524203 0.570028696177} F1 78 0.0 1 9 {} {0.434178898594 0.784951693583 0.661674946583} F2 79 0.0 1 9 {} {0.564771298432 0.711167878876 0.496897176068} 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 78 73 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 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 73 78 {0 0 0} 0 4 42 58 {0 0 -1} 0 5 3 1 {-1 0 0} 0 6 20 27 {0 0 0} 0 7 22 6 {0 0 1} 0 8 56 54 {0 0 0} 0 9 3 37 {0 0 0} 0 10 26 60 {0 0 0} 0 11 62 24 {0 0 0} 0 12 17 16 {0 0 0} 0 13 54 43 {0 0 0} 0 14 43 45 {0 0 0} 0 15 25 27 {1 0 0} 0 16 26 21 {0 0 0} 0 17 40 10 {0 0 0} 0 18 44 6 {0 0 0} 0 19 11 77 {0 0 0} 0 20 61 36 {0 0 1} 0 21 0 38 {0 0 0} 0 22 0 2 {1 0 0} 0 23 57 19 {0 0 0} 0 24 13 12 {0 0 0} 0 25 25 0 {0 0 1} 0 26 47 46 {0 0 0} 0 27 75 11 {0 0 0} 0 28 62 60 {0 0 0} 0 29 1 24 {0 0 0} 0 30 7 18 {0 0 0} 0 31 37 54 {0 0 0} 0 32 28 29 {0 0 0} 0 33 57 56 {0 0 0} 0 34 18 56 {0 0 0} 0 35 28 58 {0 0 -1} 0 36 8 42 {0 0 0} 0 37 38 39 {0 0 0} 0 38 67 66 {0 0 0} 0 39 59 66 {0 0 0} 0 40 3 2 {0 0 0} 0 41 57 55 {0 0 0} 0 42 0 19 {0 0 -1} 0 43 27 61 {0 0 0} 0 44 63 25 {0 0 0} 0 45 48 49 {0 0 0} 0 46 54 20 {0 0 0} 0 47 68 33 {0 0 0} 0 48 39 44 {0 0 0} 0 49 62 57 {0 0 0} 0 50 25 68 {0 0 1} 0 51 6 8 {1 0 0} 0 52 53 52 {0 0 0} 0 53 45 52 {0 0 0} 0 54 45 7 {0 0 0} 0 55 72 11 {0 0 0} 0 56 50 7 {0 0 0} 0 57 72 67 {0 0 0} 0 58 34 35 {0 0 0} 0 59 41 48 {0 0 0} 0 60 10 11 {0 0 0} 0 61 8 5 {0 0 0} 0 62 1 39 {0 0 0} 0 63 61 32 {0 0 1} 0 64 14 51 {0 0 0} 0 65 50 15 {0 0 0} 0 66 20 21 {0 0 0} 0 67 63 61 {0 0 0} 0 68 55 42 {0 0 1} 0 69 38 36 {0 0 0} 0 70 30 31 {0 0 0} 0 71 26 24 {-1 0 0} 0 72 64 65 {0 0 0} 0 73 9 43 {0 0 0} 0 74 76 67 {0 0 0} 0 75 1 18 {0 0 0} 0 76 8 3 {0 0 0} 0 77 7 9 {1 0 0} 0 78 55 21 {0 0 0} 0 79 19 6 {0 0 1} 0 80 44 42 {0 0 0} 0 81 36 2 {0 0 0} 0 82 56 63 {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