#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 {} {0.849144110276 0.307741545975 0.0625672160622} Si1 1 0.0 1 14 {} {0.849765634427 0.385308456009 0.44431601792} Si2 2 0.0 1 14 {} {0.0990490086661 0.307496004159 0.192509990407} Si3 3 0.0 1 14 {} {0.0993586794902 0.383471826092 0.31771755691} Si4 4 0.0 1 14 {} {0.858940336794 0.542463111406 0.438337516473} Si5 5 0.0 1 14 {} {0.10303593909 0.537555068223 0.305524995095} Si6 6 0.0 1 14 {} {0.847309780963 0.458946066933 0.0664064727398} Si7 7 0.0 1 14 {} {0.845519144748 0.229834994193 0.442166145614} Si8 8 0.0 1 14 {} {0.0992096119994 0.458547487712 0.192127682906} Si9 9 0.0 1 14 {} {0.0953228553856 0.229079280273 0.313797696286} Si10 10 0.0 1 8 {} {0.329279778999 0.590480637457 0.528355647996} O1 11 0.0 1 14 {} {0.34583548131 0.655630147727 0.520544292708} Si11 12 0.0 1 8 {} {0.112841010912 0.589674390162 0.209346272214} O2 13 0.0 1 1 {} {0.0128115520501 0.594122832949 0.14950017048} H1 14 0.0 1 8 {} {0.334461845292 0.177993558666 0.540548791675} O3 15 0.0 1 1 {} {0.933436245679 0.175184049522 0.601185748915} H2 16 0.0 1 8 {} {0.0842261640538 0.177341632561 0.215974743723} O4 17 0.0 1 1 {} {0.183193643361 0.17380678978 0.155827935767} H3 18 0.0 1 14 {} {0.849691657423 0.308129823625 0.56492393786} Si12 19 0.0 1 14 {} {0.8493774693 0.384423353711 0.938916526095} Si13 20 0.0 1 14 {} {0.099354236198 0.309208427008 0.694473502131} Si14 21 0.0 1 14 {} {0.100350370947 0.387738831533 0.812943251743} Si15 22 0.0 1 14 {} {0.85222617686 0.53743586206 0.950199528077} Si16 23 0.0 1 14 {} {0.102809487478 0.542242641701 0.821219873532} Si17 24 0.0 1 14 {} {0.85117046944 0.464349166507 0.560753979443} Si18 25 0.0 1 14 {} {0.845504484941 0.229073959874 0.942537991308} Si19 26 0.0 1 14 {} {0.100809910711 0.466040286989 0.690883090159} Si20 27 0.0 1 14 {} {0.0956571921849 0.230205981893 0.814979718324} Si21 28 0.0 1 8 {} {0.36293343974 0.589469789845 0.0466500116074} O5 29 0.0 1 1 {} {0.26288196235 0.593966556962 0.106885092351} H4 30 0.0 1 8 {} {0.111247923594 0.600174537357 0.775084582446} O6 31 0.0 1 1 {} {0.0845577096171 0.627578520517 0.710810231739} H5 32 0.0 1 8 {} {0.334474150577 0.177573538703 0.0410595494915} O7 33 0.0 1 1 {} {0.933455174139 0.17398703467 0.101116367045} H6 34 0.0 1 8 {} {0.0846730007423 0.179580434285 0.714105660561} O8 35 0.0 1 1 {} {0.184115318263 0.175832858376 0.654243361454} H7 36 0.0 1 14 {} {0.349175284199 0.307762522333 0.0627067851793} Si22 37 0.0 1 14 {} {0.349937931147 0.384672070579 0.443602538638} Si23 38 0.0 1 14 {} {0.599245854417 0.307927152023 0.192487152604} Si24 39 0.0 1 14 {} {0.600243405733 0.384004936459 0.317792360961} Si25 40 0.0 1 14 {} {0.350586323441 0.539374086936 0.434757931234} Si26 41 0.0 1 14 {} {0.606044723544 0.541848505574 0.312734681423} Si27 42 0.0 1 14 {} {0.353209507792 0.458713306265 0.0683482528678} Si28 43 0.0 1 14 {} {0.345208697603 0.229496860087 0.442060380615} Si29 44 0.0 1 14 {} {0.60160984608 0.461074270759 0.198901457865} Si30 45 0.0 1 14 {} {0.595401900737 0.229471819702 0.313943220275} Si31 46 0.0 1 8 {} {0.866669673796 0.59229284771 0.53521118022} O9 47 0.0 1 1 {} {0.950843587815 0.621410983406 0.532611194916} H8 48 0.0 1 8 {} {0.617204384145 0.590688456635 0.208249442109} O10 49 0.0 1 1 {} {0.514727538642 0.595117567104 0.150443274807} H9 50 0.0 1 8 {} {0.834255944898 0.178457723857 0.540990280979} O11 51 0.0 1 1 {} {0.433448837715 0.174669271292 0.600847039808} H10 52 0.0 1 8 {} {0.584632066247 0.177806120181 0.215895303805} O12 53 0.0 1 1 {} {0.68359681869 0.174214167336 0.155746670619} H11 54 0.0 1 14 {} {0.348750740088 0.30771178187 0.564746245074} Si32 55 0.0 1 14 {} {0.350908699511 0.384531545189 0.939458810081} Si33 56 0.0 1 14 {} {0.599111817623 0.30848858909 0.693424014637} Si34 57 0.0 1 14 {} {0.600065207582 0.386558107477 0.81204157509} Si35 58 0.0 1 14 {} {0.352766202831 0.537025041469 0.952600188224} Si36 59 0.0 1 14 {} {0.600097699554 0.54092064775 0.820164197837} Si37 60 0.0 1 14 {} {0.350935106445 0.463107726133 0.561237078827} Si38 61 0.0 1 14 {} {0.345624430651 0.229099963844 0.942698614886} Si39 62 0.0 1 14 {} {0.601082688112 0.464748038242 0.690836999787} Si40 63 0.0 1 14 {} {0.595501612938 0.229831448664 0.814772554677} Si41 64 0.0 1 8 {} {0.861991617134 0.590070544756 0.0438735452584} O13 65 0.0 1 1 {} {0.763046735722 0.594029107879 0.105460091683} H12 66 0.0 1 8 {} {0.594361753917 0.596706851516 0.742505106351} O14 67 0.0 1 14 {} {0.597014947131 0.661348703771 0.742074122945} Si42 68 0.0 1 8 {} {0.834520843353 0.177557369716 0.0409221141332} O15 69 0.0 1 1 {} {0.433491286916 0.174070352194 0.10119257232} H13 70 0.0 1 8 {} {0.584397451434 0.17900850164 0.714456234089} O16 71 0.0 1 1 {} {0.683705548326 0.175533550966 0.654388098166} H14 72 0.0 1 7 {} {0.457964464544 0.687073767254 0.636060284756} N 73 0.0 1 1 {} {0.445030437668 0.746911413661 0.645633869588} H16 74 0.0 1 9 {} {0.793813338508 0.678765441343 0.721645506472} F4 75 0.0 1 9 {} {0.302232532307 0.68189073094 0.39169149394} F5 76 0.0 1 9 {} {0.545034577881 0.680421878815 0.876893800716} F3 77 0.0 1 9 {} {0.14263957434 0.664698938936 0.574934934787} F1 78 0.0 1 9 {} {0.433943326328 0.790374416472 0.663037827099} F2 79 0.0 1 9 {} {0.553936756855 0.693257697924 0.481631151114} 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