#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 {} {0.848301192725 0.307090783702 0.0629847232727} Si1 1 0.0 1 14 {} {0.848792465861 0.385108590392 0.444648551354} Si2 2 0.0 1 14 {} {0.0982769378645 0.307000974271 0.19300279306} Si3 3 0.0 1 14 {} {0.0985129786093 0.383131416824 0.317895804488} Si4 4 0.0 1 14 {} {0.855516346035 0.541227317165 0.436858493674} Si5 5 0.0 1 14 {} {0.10423183651 0.537528701959 0.307630732313} Si6 6 0.0 1 14 {} {0.849458778977 0.458531596143 0.064783086594} Si7 7 0.0 1 14 {} {0.844981218215 0.229288775324 0.442202972503} Si8 8 0.0 1 14 {} {0.0996334574521 0.458389737513 0.19312493769} Si9 9 0.0 1 14 {} {0.0948488021956 0.228538492838 0.31389420253} Si10 10 0.0 1 8 {} {0.356625432341 0.593707391071 0.519612923397} O1 11 0.0 1 14 {} {0.334901331856 0.658559535076 0.524307082018} Si11 12 0.0 1 8 {} {0.111445452259 0.589542335454 0.211581912157} O2 13 0.0 1 1 {} {0.0118490629238 0.593523056808 0.151272208572} H1 14 0.0 1 8 {} {0.333941795083 0.17786925662 0.541219901012} O3 15 0.0 1 1 {} {0.933078408437 0.174705236707 0.601570555682} H2 16 0.0 1 8 {} {0.0836379744517 0.176908689925 0.215920484295} O4 17 0.0 1 1 {} {0.182683085676 0.173285592744 0.155867758283} H3 18 0.0 1 14 {} {0.848725399546 0.307667700263 0.564507808155} Si12 19 0.0 1 14 {} {0.849027422857 0.383525485267 0.93897902829} Si13 20 0.0 1 14 {} {0.0987285428719 0.308097180994 0.693780926616} Si14 21 0.0 1 14 {} {0.0994271316037 0.38631762812 0.812458636267} Si15 22 0.0 1 14 {} {0.849235175166 0.537553791391 0.948578759614} Si16 23 0.0 1 14 {} {0.100576182667 0.541687473696 0.823111655013} Si17 24 0.0 1 14 {} {0.850018647163 0.464009381398 0.562319657642} Si18 25 0.0 1 14 {} {0.844975257916 0.228484605007 0.942750129156} Si19 26 0.0 1 14 {} {0.0990897445213 0.465390481474 0.693600623746} Si20 27 0.0 1 14 {} {0.0950533107122 0.229323398873 0.814859639885} Si21 28 0.0 1 8 {} {0.362395202093 0.58858330396 0.0467966055794} O5 29 0.0 1 1 {} {0.262545168843 0.593744210625 0.106050845163} H4 30 0.0 1 8 {} {0.129512326733 0.599245531319 0.75251492669} O6 31 0.0 1 1 {} {0.0310476144139 0.622424797273 0.734016797565} H5 32 0.0 1 8 {} {0.333749428084 0.176949595027 0.0411239286948} O7 33 0.0 1 1 {} {0.932871557528 0.173384774865 0.10118951749} H6 34 0.0 1 8 {} {0.0839464839109 0.178561110064 0.714464784447} O8 35 0.0 1 1 {} {0.183403394631 0.174937437907 0.65458183506} H7 36 0.0 1 14 {} {0.348336351838 0.307072125094 0.0630184905153} Si22 37 0.0 1 14 {} {0.348776799331 0.385229861177 0.444410159023} Si23 38 0.0 1 14 {} {0.598330348661 0.307040492195 0.192914955784} Si24 39 0.0 1 14 {} {0.599028264508 0.383104202393 0.317944223733} Si25 40 0.0 1 14 {} {0.354615170117 0.540217503157 0.434400145992} Si26 41 0.0 1 14 {} {0.605374857984 0.538313563354 0.308486217452} Si27 42 0.0 1 14 {} {0.350203728406 0.458268140879 0.0662203597756} Si28 43 0.0 1 14 {} {0.344971972151 0.229072036772 0.442025895807} Si29 44 0.0 1 14 {} {0.600502771304 0.458769975146 0.194294706511} Si30 45 0.0 1 14 {} {0.595015430735 0.228647372492 0.313888803027} Si31 46 0.0 1 8 {} {0.853484494774 0.59399269282 0.526019916518} O9 47 0.0 1 1 {} {0.941499815608 0.621943641876 0.520220528749} H8 48 0.0 1 8 {} {0.614178414079 0.589786407061 0.211151199959} O10 49 0.0 1 1 {} {0.513240970355 0.593905210156 0.151998633317} H9 50 0.0 1 8 {} {0.833781511485 0.178134228002 0.541495653041} O11 51 0.0 1 1 {} {0.433142624146 0.174393684975 0.601337171713} H10 52 0.0 1 8 {} {0.583942196743 0.177044784223 0.215857433719} O12 53 0.0 1 1 {} {0.682903755181 0.173423482058 0.155735140531} H11 54 0.0 1 14 {} {0.348481758291 0.307572787681 0.564275596507} Si32 55 0.0 1 14 {} {0.349449963007 0.383642885651 0.939478129384} Si33 56 0.0 1 14 {} {0.598520701879 0.307889729171 0.693544291767} Si34 57 0.0 1 14 {} {0.599103888895 0.385863327209 0.812308166279} Si35 58 0.0 1 14 {} {0.348394735761 0.536758006369 0.951114662633} Si36 59 0.0 1 14 {} {0.596147950463 0.540373217072 0.822693021145} Si37 60 0.0 1 14 {} {0.349231452546 0.464277183086 0.562588627231} Si38 61 0.0 1 14 {} {0.34501371196 0.228447211922 0.942813191323} Si39 62 0.0 1 14 {} {0.599708282981 0.46447015013 0.692646350599} Si40 63 0.0 1 14 {} {0.594976473689 0.229218294607 0.814787683295} Si41 64 0.0 1 8 {} {0.861665669595 0.589424866551 0.0448914492214} O13 65 0.0 1 1 {} {0.761986108548 0.594148248713 0.105038016739} H12 66 0.0 1 8 {} {0.595055213452 0.595248487939 0.743690783636} O14 67 0.0 1 14 {} {0.602565028765 0.659863295863 0.740537763401} Si42 68 0.0 1 8 {} {0.833890808214 0.176993864625 0.0410595139579} O15 69 0.0 1 1 {} {0.432783162244 0.173362005057 0.101196056526} H13 70 0.0 1 8 {} {0.583833751127 0.178357496381 0.714678059802} O16 71 0.0 1 1 {} {0.683216675373 0.174849905608 0.654687170834} H14 72 0.0 1 7 {} {0.465268908018 0.684657835166 0.632820510316} N 73 0.0 1 1 {} {0.43590047391 0.74644499709 0.655000714779} H16 74 0.0 1 9 {} {0.804038840033 0.67468956465 0.72070414198} F4 75 0.0 1 9 {} {0.362406639197 0.678702401363 0.386383166182} F5 76 0.0 1 9 {} {0.556879772584 0.680252395177 0.876281283206} F3 77 0.0 1 9 {} {0.128217605326 0.668642236968 0.551321654577} F1 78 0.0 1 9 {} {0.416746377813 0.781227282081 0.676335830086} F2 79 0.0 1 9 {} {0.596184707729 0.746871860168 0.507890635091} 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