#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 {} {0.849125922787 0.307715521345 0.0627216039145} Si1 1 0.0 1 14 {} {0.849723095588 0.385300787935 0.444394590494} Si2 2 0.0 1 14 {} {0.0990406712579 0.307472563363 0.192437685996} Si3 3 0.0 1 14 {} {0.0992579058244 0.383476021554 0.317657423378} Si4 4 0.0 1 14 {} {0.859115637874 0.542156613556 0.437325790118} Si5 5 0.0 1 14 {} {0.102865128283 0.537545627661 0.305973834122} Si6 6 0.0 1 14 {} {0.847317491111 0.459002743613 0.0664146517427} Si7 7 0.0 1 14 {} {0.845483106074 0.229804284612 0.442077147279} Si8 8 0.0 1 14 {} {0.0992720213561 0.458545592113 0.192096712781} Si9 9 0.0 1 14 {} {0.0952839960388 0.229050570786 0.313888221376} Si10 10 0.0 1 8 {} {0.338177594509 0.592020602434 0.525718945423} O1 11 0.0 1 14 {} {0.338569244745 0.658157816511 0.521886090106} Si11 12 0.0 1 8 {} {0.112899612301 0.589656755033 0.209653092094} O2 13 0.0 1 1 {} {0.0127398618971 0.594045725587 0.149605165775} H1 14 0.0 1 8 {} {0.334440508066 0.177992704346 0.540580837233} O3 15 0.0 1 1 {} {0.933432857974 0.175173270053 0.601206006482} H2 16 0.0 1 8 {} {0.0841853630308 0.177315600755 0.215964136443} O4 17 0.0 1 1 {} {0.183190010447 0.173791570902 0.155827265159} H3 18 0.0 1 14 {} {0.849670024472 0.30809257063 0.564997851243} Si12 19 0.0 1 14 {} {0.849323371354 0.38441171949 0.938982976206} Si13 20 0.0 1 14 {} {0.0993361412816 0.309165806387 0.694331218721} Si14 21 0.0 1 14 {} {0.100308072084 0.38765310564 0.812879062719} Si15 22 0.0 1 14 {} {0.851746465845 0.53729144335 0.949657394909} Si16 23 0.0 1 14 {} {0.101916786267 0.539787063643 0.824440396874} Si17 24 0.0 1 14 {} {0.851087137972 0.464286902945 0.560849360481} Si18 25 0.0 1 14 {} {0.845503840957 0.2290402352 0.942489655925} Si19 26 0.0 1 14 {} {0.100606458609 0.465871240513 0.69073150647} Si20 27 0.0 1 14 {} {0.0956290265446 0.230163574226 0.815030102734} Si21 28 0.0 1 8 {} {0.363195541967 0.589451716725 0.0465992443004} O5 29 0.0 1 1 {} {0.262760616005 0.593907366325 0.106759355933} H4 30 0.0 1 8 {} {0.113615294455 0.602901501821 0.773378814937} O6 31 0.0 1 1 {} {0.0824721186913 0.627364709473 0.710047294189} H5 32 0.0 1 8 {} {0.334420032164 0.177532488759 0.0410715876937} O7 33 0.0 1 1 {} {0.933444547178 0.173965034578 0.101117574206} H6 34 0.0 1 8 {} {0.0846138749421 0.179531868589 0.714100553705} O8 35 0.0 1 1 {} {0.184093606908 0.175799599137 0.654263189026} H7 36 0.0 1 14 {} {0.349157149689 0.307735732893 0.0628612252809} Si22 37 0.0 1 14 {} {0.349880785137 0.384702692029 0.443538752358} Si23 38 0.0 1 14 {} {0.59921168643 0.307912064715 0.192381341686} Si24 39 0.0 1 14 {} {0.600250604183 0.38400437608 0.317809560366} Si25 40 0.0 1 14 {} {0.350836105989 0.539088641147 0.433207328974} Si26 41 0.0 1 14 {} {0.606598215733 0.541156575066 0.31237876653} Si27 42 0.0 1 14 {} {0.353148969275 0.458781790776 0.0683326248349} Si28 43 0.0 1 14 {} {0.345214603945 0.22947393858 0.441931235237} Si29 44 0.0 1 14 {} {0.601470785604 0.460880710052 0.198679708583} Si30 45 0.0 1 14 {} {0.595408943226 0.229424292922 0.314053260525} Si31 46 0.0 1 8 {} {0.865045823753 0.592570693987 0.535421589058} O9 47 0.0 1 1 {} {0.95070481121 0.621450312371 0.531248350756} H8 48 0.0 1 8 {} {0.616491133046 0.59092260476 0.209359181199} O10 49 0.0 1 1 {} {0.514444781207 0.594976992935 0.150350996877} H9 50 0.0 1 8 {} {0.834230765034 0.178436133634 0.541009091034} O11 51 0.0 1 1 {} {0.433465452838 0.17466579395 0.600868394253} H10 52 0.0 1 8 {} {0.584593761667 0.177769341922 0.21588742624} O12 53 0.0 1 1 {} {0.683576617195 0.174186009933 0.15573946459} H11 54 0.0 1 14 {} {0.348740128388 0.30772136732 0.564881763549} Si32 55 0.0 1 14 {} {0.350841469175 0.384507301046 0.939517375136} Si33 56 0.0 1 14 {} {0.599126435682 0.308460343034 0.693307389089} Si34 57 0.0 1 14 {} {0.599989558449 0.386541892241 0.812128819285} Si35 58 0.0 1 14 {} {0.352388696548 0.536943734175 0.951917045652} Si36 59 0.0 1 14 {} {0.600185852088 0.54068558688 0.821417294412} Si37 60 0.0 1 14 {} {0.351042998973 0.463105564385 0.561593072066} Si38 61 0.0 1 14 {} {0.345608078222 0.229057256094 0.942634983233} Si39 62 0.0 1 14 {} {0.601064116958 0.464758662106 0.690842708999} Si40 63 0.0 1 14 {} {0.595478873017 0.229798444234 0.814847406079} Si41 64 0.0 1 8 {} {0.862226115831 0.590044474613 0.0437693577114} O13 65 0.0 1 1 {} {0.763093420301 0.593990735275 0.105266358202} H12 66 0.0 1 8 {} {0.593710721688 0.596370700341 0.74227353666} O14 67 0.0 1 14 {} {0.601049537746 0.660427177716 0.744591320837} Si42 68 0.0 1 8 {} {0.834477367374 0.177523269059 0.0409371976502} O15 69 0.0 1 1 {} {0.43346086778 0.174048588159 0.101195745803} H13 70 0.0 1 8 {} {0.584358466849 0.178969867227 0.714451876192} O16 71 0.0 1 1 {} {0.683701715187 0.17550627054 0.654398281984} H14 72 0.0 1 7 {} {0.454475742195 0.687249284962 0.641843290597} N 73 0.0 1 1 {} {0.442714852396 0.750690258314 0.648045681999} H16 74 0.0 1 9 {} {0.795670196846 0.67900993601 0.720790810095} F4 75 0.0 1 9 {} {0.2966528912 0.680574102237 0.38498651494} F5 76 0.0 1 9 {} {0.544305969785 0.68068538114 0.877446726745} F3 77 0.0 1 9 {} {0.139192795442 0.665048249934 0.575903661073} F1 78 0.0 1 9 {} {0.435184052993 0.786192537485 0.661259702716} F2 79 0.0 1 9 {} {0.565707787665 0.693942309099 0.481788769354} 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