#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 {} {0.84922949163 0.307634300279 0.0631855848739} Si1 1 0.0 1 14 {} {0.849660336454 0.385253078901 0.444910617328} Si2 2 0.0 1 14 {} {0.0992855994178 0.307464544458 0.19322067674} Si3 3 0.0 1 14 {} {0.0994690033403 0.383618470501 0.318523420216} Si4 4 0.0 1 14 {} {0.857805341269 0.540720945772 0.438396101677} Si5 5 0.0 1 14 {} {0.105444003017 0.538122930314 0.307495973369} Si6 6 0.0 1 14 {} {0.852333244655 0.459063672116 0.0643589606182} Si7 7 0.0 1 14 {} {0.845401745837 0.229643707975 0.442207874046} Si8 8 0.0 1 14 {} {0.100574003238 0.458792619385 0.193906062676} Si9 9 0.0 1 14 {} {0.0953056024783 0.228954061124 0.314015544334} Si10 10 0.0 1 8 {} {0.367523301159 0.596541542523 0.512778725968} O1 11 0.0 1 14 {} {0.346333204204 0.661907274446 0.516863501133} Si11 12 0.0 1 8 {} {0.110090234881 0.589825052347 0.210866427104} O2 13 0.0 1 1 {} {0.0106141074664 0.593193996074 0.150172817751} H1 14 0.0 1 8 {} {0.334553353792 0.178538196938 0.54094293827} O3 15 0.0 1 1 {} {0.933488683791 0.175087616499 0.601342644482} H2 16 0.0 1 8 {} {0.0843402801573 0.17723753835 0.216121400186} O4 17 0.0 1 1 {} {0.183168966618 0.173717386354 0.155839302847} H3 18 0.0 1 14 {} {0.849498336806 0.30791797542 0.564959016273} Si12 19 0.0 1 14 {} {0.850560498893 0.384130250034 0.938702308844} Si13 20 0.0 1 14 {} {0.0996905419025 0.309035282611 0.693962682032} Si14 21 0.0 1 14 {} {0.100140732048 0.387452650654 0.811789710727} Si15 22 0.0 1 14 {} {0.851043332593 0.538067077725 0.948685135813} Si16 23 0.0 1 14 {} {0.105588527025 0.542312004547 0.827069758052} Si17 24 0.0 1 14 {} {0.850899381215 0.463806107669 0.56322239451} Si18 25 0.0 1 14 {} {0.845459764748 0.228934537246 0.942670539805} Si19 26 0.0 1 14 {} {0.0998921243857 0.466665357847 0.694108470794} Si20 27 0.0 1 14 {} {0.0956803008946 0.230088276298 0.814806596655} Si21 28 0.0 1 8 {} {0.3653547557 0.588669088305 0.0483965458062} O5 29 0.0 1 1 {} {0.263500403517 0.594150701508 0.105808233895} H4 30 0.0 1 8 {} {0.142152618934 0.599903762944 0.763765453914} O6 31 0.0 1 1 {} {0.05077578196 0.619963093313 0.721214203613} H5 32 0.0 1 8 {} {0.33433467048 0.177252945979 0.0410355684485} O7 33 0.0 1 1 {} {0.933354557168 0.173797930985 0.101076126536} H6 34 0.0 1 8 {} {0.0845790055461 0.179290597271 0.714368057525} O8 35 0.0 1 1 {} {0.183952728617 0.175678391709 0.654409966074} H7 36 0.0 1 14 {} {0.349088450956 0.307429719966 0.0630853167345} Si22 37 0.0 1 14 {} {0.349417671491 0.386281451582 0.444797148084} Si23 38 0.0 1 14 {} {0.59896878617 0.307797483896 0.193321359944} Si24 39 0.0 1 14 {} {0.599848098583 0.383987585182 0.318594546117} Si25 40 0.0 1 14 {} {0.357839030438 0.542006903837 0.434486684875} Si26 41 0.0 1 14 {} {0.608902299065 0.538438702585 0.307671405249} Si27 42 0.0 1 14 {} {0.352066833831 0.457954226998 0.0682692240827} Si28 43 0.0 1 14 {} {0.345301014197 0.229884639782 0.44202833503} Si29 44 0.0 1 14 {} {0.604075972894 0.45903184604 0.19338567504} Si30 45 0.0 1 14 {} {0.595362137224 0.22920006324 0.313999956136} Si31 46 0.0 1 8 {} {0.863472870829 0.591686737459 0.533238470671} O9 47 0.0 1 1 {} {0.935374037657 0.622894892038 0.515022170392} H8 48 0.0 1 8 {} {0.615082519785 0.590588239775 0.212494054854} O10 49 0.0 1 1 {} {0.513721905315 0.594103983707 0.153059939774} H9 50 0.0 1 8 {} {0.834385938253 0.178258697941 0.541043633495} O11 51 0.0 1 1 {} {0.433796616509 0.174911683167 0.600936639929} H10 52 0.0 1 8 {} {0.584581310642 0.177517362888 0.215970599096} O12 53 0.0 1 1 {} {0.683428249224 0.174013310331 0.155687207023} H11 54 0.0 1 14 {} {0.348964458861 0.308459581908 0.56414255964} Si32 55 0.0 1 14 {} {0.349508242537 0.384009216667 0.939338927723} Si33 56 0.0 1 14 {} {0.598821992561 0.308267415571 0.693426155508} Si34 57 0.0 1 14 {} {0.599749360374 0.386171014884 0.812667516733} Si35 58 0.0 1 14 {} {0.352556821646 0.536251954117 0.953687063821} Si36 59 0.0 1 14 {} {0.598839041935 0.539937571812 0.824112587944} Si37 60 0.0 1 14 {} {0.349341397994 0.465279030555 0.563206693611} Si38 61 0.0 1 14 {} {0.345509742059 0.228817893193 0.942771992078} Si39 62 0.0 1 14 {} {0.59989044481 0.464523164359 0.692483285134} Si40 63 0.0 1 14 {} {0.595334199679 0.229558649747 0.814671143682} Si41 64 0.0 1 8 {} {0.860404235177 0.590164849573 0.0447495348212} O13 65 0.0 1 1 {} {0.760807484988 0.594426466192 0.10512154768} H12 66 0.0 1 8 {} {0.596882020717 0.595571900701 0.745535764385} O14 67 0.0 1 14 {} {0.594582457894 0.660077761821 0.744201383989} Si42 68 0.0 1 8 {} {0.83451562029 0.177302465307 0.0408037999393} O15 69 0.0 1 1 {} {0.433270643518 0.173854970153 0.101269220412} H13 70 0.0 1 8 {} {0.584629175211 0.178615868877 0.714631969515} O16 71 0.0 1 1 {} {0.683844413119 0.175238613446 0.654450276127} H14 72 0.0 1 7 {} {0.443010489225 0.68768169845 0.648647293494} N 73 0.0 1 1 {} {0.431393901712 0.756000674556 0.660840567538} H16 74 0.0 1 9 {} {0.789465604334 0.678584638319 0.715282802281} F4 75 0.0 1 9 {} {0.303508438953 0.680982208342 0.378575685651} F5 76 0.0 1 9 {} {0.545615450269 0.680527948387 0.878783360496} F3 77 0.0 1 9 {} {0.138538841949 0.667067690884 0.56339864111} F1 78 0.0 1 9 {} {0.428607161035 0.793866293982 0.665653585349} F2 79 0.0 1 9 {} {0.572658742103 0.684774271497 0.489506234122} 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