#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 {} {0.848408366851 0.307097748965 0.0630126839752} Si1 1 0.0 1 14 {} {0.848703276078 0.385249032996 0.444909120174} Si2 2 0.0 1 14 {} {0.0983952862985 0.30701984579 0.193143933878} Si3 3 0.0 1 14 {} {0.0985818236035 0.383282905829 0.318000853479} Si4 4 0.0 1 14 {} {0.856191211166 0.541086826961 0.436774571878} Si5 5 0.0 1 14 {} {0.102834687305 0.537376529946 0.306941742142} Si6 6 0.0 1 14 {} {0.85013780298 0.458942036105 0.0642397625068} Si7 7 0.0 1 14 {} {0.845164108051 0.22928587624 0.442213027766} Si8 8 0.0 1 14 {} {0.0993351541578 0.458485198903 0.192868045188} Si9 9 0.0 1 14 {} {0.0950127474237 0.22853504499 0.313935641374} Si10 10 0.0 1 8 {} {0.351873501398 0.593196643192 0.520616299036} O1 11 0.0 1 14 {} {0.338136533137 0.657854799522 0.521736401443} Si11 12 0.0 1 8 {} {0.111135237923 0.589707591015 0.211781992395} O2 13 0.0 1 1 {} {0.0113659686567 0.593414497017 0.15146169012} H1 14 0.0 1 8 {} {0.334095795472 0.177970518526 0.541180220997} O3 15 0.0 1 1 {} {0.933177605735 0.174668022597 0.601530873222} H2 16 0.0 1 8 {} {0.0837601011831 0.176879682483 0.215965442183} O4 17 0.0 1 1 {} {0.182753664631 0.173246887708 0.155870100103} H3 18 0.0 1 14 {} {0.848840890179 0.307666218708 0.564516570746} Si12 19 0.0 1 14 {} {0.849262311133 0.383790919847 0.938991422829} Si13 20 0.0 1 14 {} {0.0990021072012 0.30825444571 0.693847276579} Si14 21 0.0 1 14 {} {0.0994254873558 0.38648476411 0.812071451812} Si15 22 0.0 1 14 {} {0.850984323918 0.537851667173 0.948892063024} Si16 23 0.0 1 14 {} {0.101646201955 0.541540196036 0.82440187683} Si17 24 0.0 1 14 {} {0.850052571047 0.464044905955 0.562949990655} Si18 25 0.0 1 14 {} {0.84508285864 0.228440971315 0.942668011598} Si19 26 0.0 1 14 {} {0.0991791873759 0.465259133514 0.693307236817} Si20 27 0.0 1 14 {} {0.095207348138 0.229381341219 0.814742723452} Si21 28 0.0 1 8 {} {0.362699026937 0.588794183952 0.0474140324279} O5 29 0.0 1 1 {} {0.262217700327 0.593916478193 0.106433373871} H4 30 0.0 1 8 {} {0.125182460675 0.598637361059 0.751984751059} O6 31 0.0 1 1 {} {0.0271815173168 0.622471667288 0.736691787072} H5 32 0.0 1 8 {} {0.333906746477 0.176891911806 0.0410953767521} O7 33 0.0 1 1 {} {0.93294890904 0.173340061346 0.10115243141} H6 34 0.0 1 8 {} {0.0841203639167 0.17852682512 0.714547805327} O8 35 0.0 1 1 {} {0.183473574519 0.174892768122 0.654598946469} H7 36 0.0 1 14 {} {0.348268625252 0.306998913083 0.0629791553679} Si22 37 0.0 1 14 {} {0.348668820616 0.385498959965 0.444841519378} Si23 38 0.0 1 14 {} {0.598243249405 0.307054045151 0.193123429419} Si24 39 0.0 1 14 {} {0.598801823371 0.383401416226 0.3178834306} Si25 40 0.0 1 14 {} {0.353699597713 0.539919273359 0.433946136204} Si26 41 0.0 1 14 {} {0.60681131863 0.538151283827 0.308229182946} Si27 42 0.0 1 14 {} {0.350363901183 0.458082796281 0.0665956051063} Si28 43 0.0 1 14 {} {0.345104016617 0.229214574251 0.442070299503} Si29 44 0.0 1 14 {} {0.601559206117 0.458870426053 0.193421506872} Si30 45 0.0 1 14 {} {0.595131847526 0.228579309747 0.31398982953} Si31 46 0.0 1 8 {} {0.854611279402 0.593558462876 0.527024584772} O9 47 0.0 1 1 {} {0.938525369362 0.622648399427 0.518139944865} H8 48 0.0 1 8 {} {0.614361417149 0.589919466541 0.211536784602} O10 49 0.0 1 1 {} {0.512969183253 0.594053246032 0.152530939151} H9 50 0.0 1 8 {} {0.833926270147 0.178087740022 0.541435061362} O11 51 0.0 1 1 {} {0.43327541164 0.17441509776 0.601267457185} H10 52 0.0 1 8 {} {0.584058507626 0.176961928172 0.215923334886} O12 53 0.0 1 1 {} {0.683007807788 0.173390821791 0.155762067924} H11 54 0.0 1 14 {} {0.348636096538 0.307787289238 0.564012681233} Si32 55 0.0 1 14 {} {0.34912031574 0.383579790983 0.939295349979} Si33 56 0.0 1 14 {} {0.598494654282 0.307939994408 0.693550002938} Si34 57 0.0 1 14 {} {0.598974392806 0.38590190406 0.812151022203} Si35 58 0.0 1 14 {} {0.34992500357 0.536651472818 0.952168308873} Si36 59 0.0 1 14 {} {0.597895035179 0.539948221434 0.823923058026} Si37 60 0.0 1 14 {} {0.348797919906 0.463812482445 0.563354446062} Si38 61 0.0 1 14 {} {0.345062510153 0.228406623674 0.942765094911} Si39 62 0.0 1 14 {} {0.599240987882 0.464247494629 0.692391571311} Si40 63 0.0 1 14 {} {0.595032745245 0.229247441243 0.81469312858} Si41 64 0.0 1 8 {} {0.861598891846 0.589882465901 0.0448594115751} O13 65 0.0 1 1 {} {0.76160497249 0.594247592368 0.104951311197} H12 66 0.0 1 8 {} {0.594866583459 0.595100899614 0.743360340488} O14 67 0.0 1 14 {} {0.603290402594 0.65981130794 0.738661270043} Si42 68 0.0 1 8 {} {0.833953040374 0.176925788594 0.0410178047126} O15 69 0.0 1 1 {} {0.432895762675 0.173326606737 0.10121966554} H13 70 0.0 1 8 {} {0.584045541731 0.178314892335 0.714731666101} O16 71 0.0 1 1 {} {0.683352283331 0.174797860353 0.654688715781} H14 72 0.0 1 7 {} {0.469881507205 0.685724834232 0.628801654717} N 73 0.0 1 1 {} {0.433894546406 0.747857216117 0.656202618628} H16 74 0.0 1 9 {} {0.805200891 0.674584689876 0.720052518297} F4 75 0.0 1 9 {} {0.362058590009 0.679217990287 0.385162605572} F5 76 0.0 1 9 {} {0.557866354804 0.679956582415 0.87498240157} F3 77 0.0 1 9 {} {0.133209889616 0.668481193403 0.546740183985} F1 78 0.0 1 9 {} {0.416581304236 0.782851481374 0.675528472955} F2 79 0.0 1 9 {} {0.58969830666 0.743538523954 0.517796293994} 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