#MD System 2.0 @Title neb0_image08 @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 {} {0.849347923331 0.307854446628 0.0625568814738} Si1 1 0.0 1 14 {} {0.849956134181 0.385304133701 0.444402531126} Si2 2 0.0 1 14 {} {0.0992700267916 0.307571027589 0.192461373316} Si3 3 0.0 1 14 {} {0.0994071751862 0.383579166364 0.317549662626} Si4 4 0.0 1 14 {} {0.859823483318 0.542724900536 0.438406614441} Si5 5 0.0 1 14 {} {0.10289508072 0.537678453982 0.305442305045} Si6 6 0.0 1 14 {} {0.847152108268 0.459097102649 0.0665354162996} Si7 7 0.0 1 14 {} {0.845693912733 0.22992086382 0.442209834906} Si8 8 0.0 1 14 {} {0.099291616412 0.458656320926 0.192127351324} Si9 9 0.0 1 14 {} {0.0954302372112 0.229147834997 0.313698702313} Si10 10 0.0 1 8 {} {0.341283630366 0.593116321274 0.522487206475} O1 11 0.0 1 14 {} {0.345162052485 0.660423128212 0.519000645151} Si11 12 0.0 1 8 {} {0.112971964784 0.589498236777 0.209166075263} O2 13 0.0 1 1 {} {0.0130716210945 0.594162390786 0.14949924842} H1 14 0.0 1 8 {} {0.334615746603 0.17804044655 0.540427257423} O3 15 0.0 1 1 {} {0.933548095523 0.175258418931 0.601093175388} H2 16 0.0 1 8 {} {0.0843307303018 0.177402081033 0.215952699227} O4 17 0.0 1 1 {} {0.183339857899 0.173877947269 0.15582336768} H3 18 0.0 1 14 {} {0.849902779578 0.308173007074 0.565031329029} Si12 19 0.0 1 14 {} {0.849336822241 0.384585051366 0.939058317611} Si13 20 0.0 1 14 {} {0.0995681834235 0.309394542023 0.694553627605} Si14 21 0.0 1 14 {} {0.100486609602 0.387910388666 0.813002024496} Si15 22 0.0 1 14 {} {0.851606794745 0.537397055882 0.950361392821} Si16 23 0.0 1 14 {} {0.102866688091 0.542298270751 0.82211509244} Si17 24 0.0 1 14 {} {0.851108840824 0.464389511345 0.56031712768} Si18 25 0.0 1 14 {} {0.845687515446 0.229164416033 0.942550626225} Si19 26 0.0 1 14 {} {0.100804222793 0.465964472744 0.690333950872} Si20 27 0.0 1 14 {} {0.095851907542 0.230331051532 0.81493425056} Si21 28 0.0 1 8 {} {0.363289505165 0.589414377167 0.0465319464519} O5 29 0.0 1 1 {} {0.263153605364 0.594002692839 0.106764952058} H4 30 0.0 1 8 {} {0.112017863217 0.602851137332 0.779303383858} O6 31 0.0 1 1 {} {0.0936397855498 0.626678541118 0.706732013572} H5 32 0.0 1 8 {} {0.334601052116 0.177671142831 0.041054679531} O7 33 0.0 1 1 {} {0.933621243091 0.174060372111 0.101062299159} H6 34 0.0 1 8 {} {0.0847704593604 0.179750824857 0.713981618382} O8 35 0.0 1 1 {} {0.184292512471 0.175956287078 0.65419327427} H7 36 0.0 1 14 {} {0.349378023912 0.307878451379 0.0626991709745} Si22 37 0.0 1 14 {} {0.349994488642 0.384720578967 0.443433522658} Si23 38 0.0 1 14 {} {0.599420442352 0.308086917837 0.192427685417} Si24 39 0.0 1 14 {} {0.600483176003 0.384125716924 0.317887391994} Si25 40 0.0 1 14 {} {0.350721640828 0.540442026643 0.434522377757} Si26 41 0.0 1 14 {} {0.60700029891 0.541444153605 0.312148981271} Si27 42 0.0 1 14 {} {0.353690486041 0.458923484053 0.0686529084446} Si28 43 0.0 1 14 {} {0.345330931885 0.229569495571 0.442058583338} Si29 44 0.0 1 14 {} {0.601884989608 0.461114161476 0.199281924991} Si30 45 0.0 1 14 {} {0.595600302243 0.229601874109 0.313942860799} Si31 46 0.0 1 8 {} {0.868468746833 0.591793560002 0.53723415728} O9 47 0.0 1 1 {} {0.951203750899 0.62143154265 0.532017778001} H8 48 0.0 1 8 {} {0.616065122439 0.591197411778 0.210094014602} O10 49 0.0 1 1 {} {0.515001007215 0.595214957085 0.150751130983} H9 50 0.0 1 8 {} {0.834378456426 0.178509071857 0.540868890969} O11 51 0.0 1 1 {} {0.433620747273 0.174707929095 0.600722462386} H10 52 0.0 1 8 {} {0.584785974945 0.17794502452 0.215913410059} O12 53 0.0 1 1 {} {0.683754450959 0.174339487313 0.155761113951} H11 54 0.0 1 14 {} {0.348881735363 0.307799080878 0.564824560765} Si32 55 0.0 1 14 {} {0.351168849992 0.384722048318 0.93968547753} Si33 56 0.0 1 14 {} {0.599297732125 0.30860286292 0.693444150084} Si34 57 0.0 1 14 {} {0.60014376521 0.386710876453 0.812079119414} Si35 58 0.0 1 14 {} {0.353266569601 0.537085049184 0.952700282474} Si36 59 0.0 1 14 {} {0.600723023149 0.540909414587 0.82060687824} Si37 60 0.0 1 14 {} {0.351414176768 0.463290781934 0.561154986013} Si38 61 0.0 1 14 {} {0.3458412109 0.229184103406 0.942704519644} Si39 62 0.0 1 14 {} {0.601360510976 0.464894374113 0.69091522862} Si40 63 0.0 1 14 {} {0.595666607938 0.229917295293 0.814678722979} Si41 64 0.0 1 8 {} {0.861914966719 0.59004435925 0.0435541935836} O13 65 0.0 1 1 {} {0.763361302164 0.594155778155 0.105267595654} H12 66 0.0 1 8 {} {0.59508345138 0.596178710222 0.742806893307} O14 67 0.0 1 14 {} {0.597656479449 0.66130306691 0.744424703163} Si42 68 0.0 1 8 {} {0.834635331187 0.177657133486 0.040912345776} O15 69 0.0 1 1 {} {0.433627591732 0.174183654743 0.101187749667} H13 70 0.0 1 8 {} {0.584509814784 0.179099647797 0.714382919092} O16 71 0.0 1 1 {} {0.683855488303 0.175607603051 0.654344806384} H14 72 0.0 1 7 {} {0.447354922979 0.687605803871 0.64664309387} N 73 0.0 1 1 {} {0.442550357592 0.750537531402 0.647694109514} H16 74 0.0 1 9 {} {0.794115351779 0.67982602347 0.720661683462} F4 75 0.0 1 9 {} {0.275721869457 0.680484240181 0.386228641872} F5 76 0.0 1 9 {} {0.542882166163 0.680510680422 0.879370676947} F3 77 0.0 1 9 {} {0.136702106596 0.664488024809 0.581595633729} F1 78 0.0 1 9 {} {0.43526093029 0.789287884803 0.661808218097} F2 79 0.0 1 9 {} {0.56506554867 0.67599606328 0.469433543761} 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