#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 {} {0.848928499171 0.307550249666 0.0629159183139} Si1 1 0.0 1 14 {} {0.849483102817 0.385253942675 0.444428573365} Si2 2 0.0 1 14 {} {0.0988140908975 0.307338009177 0.192483142025} Si3 3 0.0 1 14 {} {0.0990160491789 0.383398306303 0.317718797748} Si4 4 0.0 1 14 {} {0.858341479243 0.541795717217 0.436770967271} Si5 5 0.0 1 14 {} {0.102808010328 0.537474294836 0.306295631097} Si6 6 0.0 1 14 {} {0.847461250335 0.458876227277 0.0663527770329} Si7 7 0.0 1 14 {} {0.845270019204 0.229658136694 0.441994823508} Si8 8 0.0 1 14 {} {0.0992893753069 0.458460377224 0.192096626137} Si9 9 0.0 1 14 {} {0.0951164806594 0.228908371191 0.314024479103} Si10 10 0.0 1 8 {} {0.344902334867 0.592308012733 0.523750948684} O1 11 0.0 1 14 {} {0.331970544138 0.657719954866 0.522262780411} Si11 12 0.0 1 8 {} {0.112605027154 0.589676996891 0.210414785601} O2 13 0.0 1 1 {} {0.0125436582124 0.593845354146 0.15001262757} H1 14 0.0 1 8 {} {0.334259269597 0.177946231538 0.540752879557} O3 15 0.0 1 1 {} {0.933302825418 0.175071272239 0.601335999493} H2 16 0.0 1 8 {} {0.0840096928118 0.177194192405 0.215966269812} O4 17 0.0 1 1 {} {0.183027882082 0.17367792514 0.155836997052} H3 18 0.0 1 14 {} {0.84932524294 0.307977762713 0.564951215088} Si12 19 0.0 1 14 {} {0.849277688692 0.384211847025 0.939000660277} Si13 20 0.0 1 14 {} {0.099072527526 0.308866742117 0.694075537788} Si14 21 0.0 1 14 {} {0.100097899946 0.387257571404 0.812725948137} Si15 22 0.0 1 14 {} {0.850902501205 0.537139372074 0.949076013561} Si16 23 0.0 1 14 {} {0.100333430218 0.539118121892 0.826194926695} Si17 24 0.0 1 14 {} {0.850915190921 0.464152651254 0.561382247212} Si18 25 0.0 1 14 {} {0.845304239139 0.228886857735 0.942466121143} Si19 26 0.0 1 14 {} {0.100197984262 0.465347427001 0.690778953599} Si20 27 0.0 1 14 {} {0.0954143051437 0.229963019481 0.815072286885} Si21 28 0.0 1 8 {} {0.363026503673 0.589294883403 0.046487492026} O5 29 0.0 1 1 {} {0.262527868227 0.593753892145 0.106485477236} H4 30 0.0 1 8 {} {0.118570084019 0.602476360708 0.768430630244} O6 31 0.0 1 1 {} {0.0684926948618 0.626927811596 0.713782966343} H5 32 0.0 1 8 {} {0.334192513826 0.177349323239 0.0410885886815} O7 33 0.0 1 1 {} {0.933249666107 0.173833022644 0.101164083966} H6 34 0.0 1 8 {} {0.084392893526 0.179262986953 0.714228803515} O8 35 0.0 1 1 {} {0.183863393977 0.175595218472 0.654367044651} H7 36 0.0 1 14 {} {0.34893232765 0.3075579997 0.063030475116} Si22 37 0.0 1 14 {} {0.349644458071 0.384724769536 0.44362261569} Si23 38 0.0 1 14 {} {0.59898430419 0.307705644165 0.192412858138} Si24 39 0.0 1 14 {} {0.599946017689 0.383823176903 0.31785500167} Si25 40 0.0 1 14 {} {0.351668953721 0.538891066185 0.432755123838} Si26 41 0.0 1 14 {} {0.606622038502 0.540286879458 0.311220020084} Si27 42 0.0 1 14 {} {0.352521360119 0.458676714648 0.0680004888837} Si28 43 0.0 1 14 {} {0.345098170791 0.229355586899 0.441832229619} Si29 44 0.0 1 14 {} {0.601082276539 0.460294497649 0.197573652087} Si30 45 0.0 1 14 {} {0.595228040814 0.229208472298 0.314116707663} Si31 46 0.0 1 8 {} {0.860646280742 0.593212552517 0.532741990249} O9 47 0.0 1 1 {} {0.948906563884 0.621321840952 0.528584175226} H8 48 0.0 1 8 {} {0.615668476138 0.59068628593 0.210054631409} O10 49 0.0 1 1 {} {0.514038948547 0.594558413297 0.150385920828} H9 50 0.0 1 8 {} {0.834077212209 0.178336761519 0.541145780201} O11 51 0.0 1 1 {} {0.433316694884 0.17461632449 0.601022464632} H10 52 0.0 1 8 {} {0.584388073139 0.177551758001 0.215877615401} O12 53 0.0 1 1 {} {0.683363458587 0.173991608419 0.155713536556} H11 54 0.0 1 14 {} {0.348604572842 0.307647386114 0.564884513383} Si32 55 0.0 1 14 {} {0.350428589584 0.384290234263 0.939498886265} Si33 56 0.0 1 14 {} {0.598916812386 0.308277333553 0.693229380608} Si34 57 0.0 1 14 {} {0.599761421047 0.386321227826 0.812223743716} Si35 58 0.0 1 14 {} {0.351457015594 0.53686311299 0.951025552244} Si36 59 0.0 1 14 {} {0.599471689341 0.540280579994 0.823009878522} Si37 60 0.0 1 14 {} {0.350741165938 0.463092100232 0.562280306828} Si38 61 0.0 1 14 {} {0.34535892153 0.228897106635 0.942618562405} Si39 62 0.0 1 14 {} {0.600884221402 0.464631523648 0.690932073304} Si40 63 0.0 1 14 {} {0.595267773934 0.22963691937 0.814960555628} Si41 64 0.0 1 8 {} {0.862505351297 0.58988405246 0.0438020988959} O13 65 0.0 1 1 {} {0.762941809325 0.593815727747 0.105026072027} H12 66 0.0 1 8 {} {0.592476091723 0.595871280085 0.742156594191} O14 67 0.0 1 14 {} {0.603897286788 0.659801760879 0.744432151605} Si42 68 0.0 1 8 {} {0.834283317892 0.177353809739 0.0409735369737} O15 69 0.0 1 1 {} {0.43324701338 0.173880307936 0.101204413828} H13 70 0.0 1 8 {} {0.584173987582 0.178791894616 0.714526824893} O16 71 0.0 1 1 {} {0.683530908694 0.175360982295 0.654477271582} H14 72 0.0 1 7 {} {0.461186682405 0.686578914905 0.635283143473} N 73 0.0 1 1 {} {0.441253119062 0.75032172422 0.649545756149} H16 74 0.0 1 9 {} {0.799268909711 0.678292687871 0.720270676855} F4 75 0.0 1 9 {} {0.317103361403 0.679447134946 0.384218087089} F5 76 0.0 1 9 {} {0.546149554502 0.680918933539 0.876897070021} F3 77 0.0 1 9 {} {0.134744941586 0.666371055939 0.571436834148} F1 78 0.0 1 9 {} {0.434465209609 0.784539714298 0.6616710518} F2 79 0.0 1 9 {} {0.569483074086 0.710898009996 0.4985469892} 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