#MD System 2.0 @Title neb0_image06 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 WyckoffPosition int -1 @end @data 6 {} {0.215611641224 0.526780325507 0.326801871873} C1 1 1 14 {} {0.269547244371 0.489811331445 0.285065037116} Si1 2 1 14 {} {0.168919818082 0.535219769568 0.245854635534} Si2 3 1 8 {} {0.282094548659 0.522762977176 0.187149198424} O1 4 1 8 {} {0.309462472303 0.510178907196 0.355896573568} O2 5 1 6 {} {0.267585659017 0.39660799753 0.278071316998} C2 6 1 6 {} {0.137347883109 0.455530045436 0.22808249395} C3 7 1 8 {} {0.193424052489 0.561226144501 0.151636323412} O3 8 1 8 {} {0.133540603029 0.596278385924 0.272878690955} O4 9 1 14 {} {0.360945815784 0.539121366373 0.361024285177} Si3 10 1 7 {} {0.395303253306 0.475881310927 0.402983049983} N1 11 1 14 {} {0.449478568775 0.473953698665 0.360600729418} Si4 12 1 14 {} {0.375278601775 0.421754645778 0.485738218667} Si5 13 1 7 {} {0.346169861677 0.459671650835 0.571103933121} N2 14 1 7 {} {0.469314890846 0.555015441735 0.363626978679} N3 15 1 1 {} {0.203990204026 0.498178976653 0.385291978353} H1 16 1 1 {} {0.223457377289 0.577625474002 0.350967035023} H2 17 1 1 {} {0.256611753056 0.54300762732 0.156455167717} H3 18 1 1 {} {0.262413013146 0.373592498216 0.343882111239} H4 19 1 1 {} {0.299294156858 0.37755213672 0.251301899682} H5 20 1 1 {} {0.240798810442 0.379541359708 0.233372379343} H6 21 1 1 {} {0.110829976321 0.461771079003 0.17804266589} H7 22 1 1 {} {0.121817976737 0.437837109299 0.290302301568} H8 23 1 1 {} {0.15975376457 0.415723517398 0.204493733484} H9 24 1 1 {} {0.174893946657 0.584214002067 0.108398203868} H10 25 1 1 {} {0.105157580708 0.583973059991 0.298928496525} H11 26 1 1 {} {0.377359026031 0.558989689327 0.271261330318} H12 27 1 1 {} {0.359887629086 0.597854589313 0.422218928778} H13 28 1 1 {} {0.474161437419 0.422803707504 0.41400572043} H14 29 1 1 {} {0.452185826722 0.456324714517 0.263912744021} H15 30 1 1 {} {0.343898489929 0.372752823238 0.445312211025} H16 31 1 1 {} {0.41483816842 0.387663032427 0.524744112133} H17 32 1 1 {} {0.314547886568 0.476203679861 0.559952360515} H18 33 1 1 {} {0.362211398737 0.490152277397 0.614999175881} H19 34 1 1 {} {0.494463239 0.568639078599 0.321487218419} H20 35 1 1 {} {0.474674009085 0.57674778737 0.424065348826} H21 36 1 6 {} {0.645046910729 0.639301754279 0.485786720356} C4 37 1 14 {} {0.606009645002 0.575549923912 0.438378251763} Si6 38 1 14 {} {0.64223958421 0.725725690473 0.440855087016} Si7 39 1 8 {} {0.602450268465 0.583670679726 0.328942157462} O5 40 1 8 {} {0.624982982028 0.500374263827 0.462125634828} O6 41 1 6 {} {0.549736564657 0.582118883049 0.490045290678} C5 42 1 6 {} {0.594656670942 0.776131922245 0.485649780494} C6 43 1 8 {} {0.63807165481 0.714837678952 0.330423431632} O7 44 1 8 {} {0.689830288725 0.767121545605 0.456625019557} O8 45 1 14 {} {0.635485827539 0.422506153474 0.434328298115} Si8 46 1 7 {} {0.590066373756 0.370310210434 0.452252071775} N4 47 1 14 {} {0.570527910938 0.321249670602 0.363906887752} Si9 48 1 14 {} {0.565448898552 0.367042846247 0.559201375773} Si10 49 1 7 {} {0.600769677712 0.385885945013 0.645601906218} N5 50 1 7 {} {0.605492319648 0.258390207179 0.326426049723} N6 51 1 1 {} {0.640481699088 0.640544484799 0.558742756882} H22 52 1 1 {} {0.678995018668 0.620478581404 0.473387995009} H23 53 1 1 {} {0.61502492332 0.62566300535 0.30656084313} H24 54 1 1 {} {0.549100547706 0.572061189059 0.562248517405} H25 55 1 1 {} {0.529416675436 0.543150139013 0.45825991817} H26 56 1 1 {} {0.534192230063 0.630974439426 0.476962226274} H27 57 1 1 {} {0.593891169905 0.826576631895 0.456265577027} H28 58 1 1 {} {0.596710364232 0.781677630442 0.558596736948} H29 59 1 1 {} {0.562574031099 0.752040062342 0.470515990572} H30 60 1 1 {} {0.645970102539 0.752306237165 0.292489341951} H31 61 1 1 {} {0.690189148747 0.802155634517 0.501289171066} H32 62 1 1 {} {0.646936069979 0.417573789184 0.337561278172} H33 63 1 1 {} {0.674623642831 0.402292472194 0.489122769508} H34 64 1 1 {} {0.528811829089 0.289233629725 0.396817563595} H35 65 1 1 {} {0.562384947667 0.364009132178 0.2845158586} H36 66 1 1 {} {0.528155196619 0.416565448616 0.565526264564} H37 67 1 1 {} {0.548198006207 0.297615786598 0.570693084481} H38 68 1 1 {} {0.6071244862 0.43421905157 0.660808959269} H39 69 1 1 {} {0.627529834975 0.356852664352 0.658971820088} H40 70 1 1 {} {0.630194782124 0.269582760626 0.282206354877} H41 71 1 1 {} {0.615086998166 0.220570594544 0.367808656761} H42 72 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} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 56 41 0 0 50 47 0 0 2 0 0 0 58 42 0 0 44 38 0 0 70 50 0 0 69 49 0 0 34 14 0 0 48 46 0 0 52 36 0 0 6 2 0 0 49 48 0 0 62 45 0 0 21 6 0 0 7 2 0 0 22 6 0 0 8 2 0 0 27 9 0 0 33 13 0 0 37 36 0 0 23 6 0 0 59 42 0 0 12 10 0 0 54 41 0 0 51 36 0 0 61 44 0 0 16 0 0 0 19 5 0 0 20 5 0 0 13 12 0 0 1 0 0 0 43 38 0 0 10 9 0 0 68 49 0 0 53 39 0 0 3 1 0 0 47 46 0 0 60 43 0 0 4 1 0 0 18 5 0 0 5 1 0 0 67 48 0 0 26 9 0 0 32 13 0 0 46 45 0 0 17 3 0 0 11 10 0 0 9 4 0 0 15 0 0 0 25 8 0 0 31 12 0 0 42 38 0 0 64 47 0 0 24 7 0 0 29 11 0 0 40 37 0 0 39 37 0 0 41 37 0 0 66 48 0 0 57 42 0 0 38 36 0 0 65 47 0 0 30 12 0 0 28 11 0 0 71 50 0 0 45 40 0 0 35 14 0 0 55 41 0 0 14 11 0 0 63 45 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 56 41 {0 0 0} 0 1 47 50 {0 0 0} 0 2 0 2 {0 0 0} 0 3 58 42 {0 0 0} 0 4 38 44 {0 0 0} 0 5 50 70 {0 0 0} 0 6 49 69 {0 0 0} 0 7 14 34 {0 0 0} 0 8 46 48 {0 0 0} 0 9 36 52 {0 0 0} 0 10 2 6 {0 0 0} 0 11 48 49 {0 0 0} 0 12 45 62 {0 0 0} 0 13 21 6 {0 0 0} 0 14 7 2 {0 0 0} 0 15 22 6 {0 0 0} 0 16 8 2 {0 0 0} 0 17 9 27 {0 0 0} 0 18 13 33 {0 0 0} 0 19 36 37 {0 0 0} 0 20 23 6 {0 0 0} 0 21 59 42 {0 0 0} 0 22 10 12 {0 0 0} 0 23 41 54 {0 0 0} 0 24 51 36 {0 0 0} 0 25 44 61 {0 0 0} 0 26 0 16 {0 0 0} 0 27 5 19 {0 0 0} 0 28 5 20 {0 0 0} 0 29 12 13 {0 0 0} 0 30 0 1 {0 0 0} 0 31 38 43 {0 0 0} 0 32 10 9 {0 0 0} 0 33 49 68 {0 0 0} 0 34 39 53 {0 0 0} 0 35 3 1 {0 0 0} 0 36 46 47 {0 0 0} 0 37 43 60 {0 0 0} 0 38 4 1 {0 0 0} 0 39 18 5 {0 0 0} 0 40 1 5 {0 0 0} 0 41 48 67 {0 0 0} 0 42 9 26 {0 0 0} 0 43 13 32 {0 0 0} 0 44 45 46 {0 0 0} 0 45 3 17 {0 0 0} 0 46 10 11 {0 0 0} 0 47 4 9 {0 0 0} 0 48 15 0 {0 0 0} 0 49 8 25 {0 0 0} 0 50 12 31 {0 0 0} 0 51 38 42 {0 0 0} 0 52 64 47 {0 0 0} 0 53 7 24 {0 0 0} 0 54 11 29 {0 0 0} 0 55 40 37 {0 0 0} 0 56 39 37 {0 0 0} 0 57 37 41 {0 0 0} 0 58 66 48 {0 0 0} 0 59 42 57 {0 0 0} 0 60 38 36 {0 0 0} 0 61 65 47 {0 0 0} 0 62 30 12 {0 0 0} 0 63 28 11 {0 0 0} 0 64 50 71 {0 0 0} 0 65 45 40 {0 0 0} 0 66 14 35 {0 0 0} 0 67 55 41 {0 0 0} 0 68 11 14 {0 0 0} 0 69 63 45 {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