#MD System 2.0 @Title neb0_image07 @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 {} {0.849117461784 0.307699263624 0.0627508412334} Si1 1 0.0 1 14 {} {0.849729039113 0.385280676332 0.444476643041} Si2 2 0.0 1 14 {} {0.0990353727049 0.307455498226 0.192463150769} Si3 3 0.0 1 14 {} {0.0991827916295 0.383477880532 0.317583638731} Si4 4 0.0 1 14 {} {0.859167791932 0.542340576772 0.437676532393} Si5 5 0.0 1 14 {} {0.102798250185 0.537610264371 0.305880242041} Si6 6 0.0 1 14 {} {0.847283042688 0.459012033999 0.0664195005604} Si7 7 0.0 1 14 {} {0.845470759919 0.229788432654 0.442089777581} Si8 8 0.0 1 14 {} {0.0992911258277 0.458550549941 0.192097122789} Si9 9 0.0 1 14 {} {0.0952650523398 0.229034705748 0.313875705138} Si10 10 0.0 1 8 {} {0.343929329525 0.592653184295 0.52280537133} O1 11 0.0 1 14 {} {0.337867291476 0.659743426364 0.520560896975} Si11 12 0.0 1 8 {} {0.112754812883 0.589577584267 0.209887021022} O2 13 0.0 1 1 {} {0.0128031412794 0.593985256339 0.149731998567} H1 14 0.0 1 8 {} {0.334438517013 0.177996025134 0.540585266593} O3 15 0.0 1 1 {} {0.933429918803 0.175171981151 0.601213376414} H2 16 0.0 1 8 {} {0.0841670292691 0.177298894296 0.215967916064} O4 17 0.0 1 1 {} {0.183183480719 0.173787021189 0.155831191186} H3 18 0.0 1 14 {} {0.849657469537 0.308066457339 0.564977236475} Si12 19 0.0 1 14 {} {0.849320891462 0.384413964576 0.939079517385} Si13 20 0.0 1 14 {} {0.099321331852 0.309133864964 0.69431641632} Si14 21 0.0 1 14 {} {0.100259721988 0.387580502225 0.812800803948} Si15 22 0.0 1 14 {} {0.851144082595 0.537307116988 0.949640724618} Si16 23 0.0 1 14 {} {0.101708591556 0.54130562827 0.823788640518} Si17 24 0.0 1 14 {} {0.851018670508 0.464261946004 0.56088255644} Si18 25 0.0 1 14 {} {0.845501392459 0.229026336542 0.942512128481} Si19 26 0.0 1 14 {} {0.100469946451 0.465600226757 0.690496343017} Si20 27 0.0 1 14 {} {0.0956205458837 0.230146165428 0.815001032941} Si21 28 0.0 1 8 {} {0.363236302576 0.589314259989 0.0464186000587} O5 29 0.0 1 1 {} {0.2628229353 0.593870463474 0.10658605681} H4 30 0.0 1 8 {} {0.115711501612 0.601876199643 0.775641208694} O6 31 0.0 1 1 {} {0.0806231834432 0.626992414527 0.70932493524} H5 32 0.0 1 8 {} {0.334389790862 0.177503817032 0.0410683319841} O7 33 0.0 1 1 {} {0.933437817149 0.173955019017 0.10111548932} H6 34 0.0 1 8 {} {0.084577239911 0.179498445401 0.71410765718} O8 35 0.0 1 1 {} {0.184083921296 0.175784081744 0.654273036724} H7 36 0.0 1 14 {} {0.349144121586 0.307714984619 0.0628832444171} Si22 37 0.0 1 14 {} {0.34980911203 0.384717125892 0.443549784972} Si23 38 0.0 1 14 {} {0.599198224003 0.307898475145 0.192404672934} Si24 39 0.0 1 14 {} {0.600265183188 0.383993313196 0.317807330928} Si25 40 0.0 1 14 {} {0.351146112825 0.539757165126 0.433653255432} Si26 41 0.0 1 14 {} {0.606839822552 0.540878881813 0.311670445433} Si27 42 0.0 1 14 {} {0.35313165206 0.458822170905 0.068306740746} Si28 43 0.0 1 14 {} {0.34522458831 0.229466043113 0.441929076582} Si29 44 0.0 1 14 {} {0.60148302851 0.460719214495 0.198433046091} Si30 45 0.0 1 14 {} {0.595412106192 0.229404076599 0.314045137282} Si31 46 0.0 1 8 {} {0.864246303 0.592457644544 0.534854708257} O9 47 0.0 1 1 {} {0.950124624752 0.621334109252 0.530247560867} H8 48 0.0 1 8 {} {0.615802982362 0.590941326 0.210210727952} O10 49 0.0 1 1 {} {0.514493113415 0.594865544095 0.150507596208} H9 50 0.0 1 8 {} {0.83422248776 0.178421335967 0.541005835212} O11 51 0.0 1 1 {} {0.433474479847 0.174669777149 0.600873089384} H10 52 0.0 1 8 {} {0.584578300558 0.177747716889 0.215894640736} O12 53 0.0 1 1 {} {0.683562795537 0.174174233793 0.155738596256} H11 54 0.0 1 14 {} {0.348743423526 0.307724454673 0.564873125639} Si32 55 0.0 1 14 {} {0.350777807229 0.384501685821 0.939619442379} Si33 56 0.0 1 14 {} {0.599135153976 0.308443327863 0.693315865555} Si34 57 0.0 1 14 {} {0.599952760888 0.386532660246 0.81211547378} Si35 58 0.0 1 14 {} {0.352357731858 0.537023694772 0.951763678927} Si36 59 0.0 1 14 {} {0.600135906426 0.540669385174 0.821961006532} Si37 60 0.0 1 14 {} {0.351080053768 0.46316237126 0.561797419845} Si38 61 0.0 1 14 {} {0.345602853392 0.229037145088 0.942649008297} Si39 62 0.0 1 14 {} {0.601093429525 0.46477305242 0.690930914376} Si40 63 0.0 1 14 {} {0.595475845321 0.229781016263 0.814837017069} Si41 64 0.0 1 8 {} {0.862393990862 0.589926700334 0.04353742866} O13 65 0.0 1 1 {} {0.763114781439 0.593964338132 0.105120746203} H12 66 0.0 1 8 {} {0.593804772768 0.59560189481 0.742720819522} O14 67 0.0 1 14 {} {0.601097099398 0.660333697176 0.744641991609} Si42 68 0.0 1 8 {} {0.834457114088 0.177498629321 0.040937780566} O15 69 0.0 1 1 {} {0.433442353509 0.174039593169 0.101198037485} H13 70 0.0 1 8 {} {0.584342997869 0.178942380509 0.714460635875} O16 71 0.0 1 1 {} {0.683697428736 0.175493430699 0.654406929474} H14 72 0.0 1 7 {} {0.453191756996 0.686539976384 0.642861717985} N 73 0.0 1 1 {} {0.442330716973 0.748747042299 0.647951924645} H16 74 0.0 1 9 {} {0.797333110302 0.679219927866 0.720321257906} F4 75 0.0 1 9 {} {0.294744612985 0.679398361742 0.383951584627} F5 76 0.0 1 9 {} {0.544174022778 0.680818245551 0.878281096623} F3 77 0.0 1 9 {} {0.135234086212 0.665594596985 0.576591112838} F1 78 0.0 1 9 {} {0.434734804823 0.788742238469 0.662039702491} F2 79 0.0 1 9 {} {0.569615509974 0.693841156307 0.48342320899} 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 58 42 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 2 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 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 42 58 {0 0 -1} 0 6 3 1 {-1 0 0} 0 7 20 27 {0 0 0} 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