#MD System 2.0 @Title neb0_image02 @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 {} {0.20519642566 0.528925549573 0.309579830354} C1 1 1 14 {} {0.25907937566 0.491625543798 0.268205299012} Si1 2 1 14 {} {0.158364298752 0.53716392855 0.228957641471} Si2 3 1 8 {} {0.271541455724 0.52383516226 0.169711429723} O1 4 1 8 {} {0.299222894574 0.511974036225 0.338700271257} O2 5 1 6 {} {0.256983375096 0.398394004802 0.261539437867} C2 6 1 6 {} {0.126771876948 0.457496306921 0.211285181016} C3 7 1 8 {} {0.182594061266 0.56269900745 0.134320336186} O3 8 1 8 {} {0.123139923468 0.598188794813 0.256747261922} O4 9 1 14 {} {0.350612110632 0.541154867074 0.34439639923} Si3 10 1 7 {} {0.385440639477 0.478383941398 0.38603364894} N1 11 1 14 {} {0.439658477359 0.476039675244 0.344278353878} Si4 12 1 14 {} {0.365137818372 0.423918810959 0.468805113582} Si5 13 1 7 {} {0.335631201129 0.461253191312 0.554108482826} N2 14 1 7 {} {0.461633852827 0.555757826692 0.350171348593} N3 15 1 1 {} {0.193567450363 0.500455539542 0.36815468187} H1 16 1 1 {} {0.213122241431 0.579792917692 0.33351552791} H2 17 1 1 {} {0.246330143742 0.544825315878 0.139198897671} H3 18 1 1 {} {0.251720959072 0.375097096852 0.327130186368} H4 19 1 1 {} {0.288684019241 0.379314778598 0.234789672125} H5 20 1 1 {} {0.23021543152 0.381667276251 0.216566335643} H6 21 1 1 {} {0.100358218112 0.463917418934 0.161016135971} H7 22 1 1 {} {0.111073497301 0.439806667065 0.273343946601} H8 23 1 1 {} {0.14911704702 0.417586957584 0.187678230208} H9 24 1 1 {} {0.164038067231 0.586281833031 0.0915500441727} H10 25 1 1 {} {0.0946877469484 0.585635625961 0.282444277034} H11 26 1 1 {} {0.367090379199 0.561278725891 0.254889401977} H12 27 1 1 {} {0.349398222158 0.599823351076 0.405474778653} H13 28 1 1 {} {0.463599922082 0.423649388068 0.396744129693} H14 29 1 1 {} {0.44164777005 0.458528461353 0.24773883733} H15 30 1 1 {} {0.333781290579 0.374761975037 0.428114084935} H16 31 1 1 {} {0.40464743523 0.389537989209 0.507792650839} H17 32 1 1 {} {0.304072721906 0.477615338171 0.542467248559} H18 33 1 1 {} {0.351390054228 0.492295472312 0.597878958004} H19 34 1 1 {} {0.484843721378 0.570669943124 0.304672921703} H20 35 1 1 {} {0.466982372622 0.578385218963 0.409847107891} H21 36 1 6 {} {0.655266825638 0.637417290965 0.502645522955} C4 37 1 14 {} {0.615694439118 0.573370869257 0.455601399434} Si6 38 1 14 {} {0.652573206332 0.72393889918 0.457741562315} Si7 39 1 8 {} {0.612508676275 0.581827833652 0.346035633904} O5 40 1 8 {} {0.635776108644 0.498805184119 0.479233161294} O6 41 1 6 {} {0.558791215762 0.579355259068 0.505451087486} C5 42 1 6 {} {0.605055070998 0.774500576317 0.502789902196} C6 43 1 8 {} {0.648342338117 0.71302266197 0.347412978713} O7 44 1 8 {} {0.700193635004 0.765838616386 0.472864811148} O8 45 1 14 {} {0.646100212627 0.420825727734 0.451859783028} Si8 46 1 7 {} {0.60081394951 0.368320296051 0.468716652432} N4 47 1 14 {} {0.581299337687 0.319505776988 0.380938018018} Si9 48 1 14 {} {0.575839460645 0.364777729214 0.575252355774} Si10 49 1 7 {} {0.611884160968 0.384286068083 0.662524205486} N5 50 1 7 {} {0.615459831848 0.256504547179 0.342364496695} N6 51 1 1 {} {0.651219482358 0.638745157956 0.575695479812} H22 52 1 1 {} {0.689408361674 0.619077555451 0.489865217511} H23 53 1 1 {} {0.625346263396 0.62368132687 0.323552630849} H24 54 1 1 {} {0.558547345538 0.570039492426 0.57775188516} H25 55 1 1 {} {0.537127386752 0.54186226168 0.473721199141} H26 56 1 1 {} {0.544049714236 0.628995608771 0.493553741356} H27 57 1 1 {} {0.604351034501 0.824892225319 0.473180527576} H28 58 1 1 {} {0.607136239797 0.780170477136 0.57574433937} H29 59 1 1 {} {0.572952151172 0.750394661035 0.487740056688} H30 60 1 1 {} {0.656544377648 0.750267881606 0.309272758057} H31 61 1 1 {} {0.700583501271 0.800399636095 0.518001639589} H32 62 1 1 {} {0.657485495949 0.415714202624 0.354559513936} H33 63 1 1 {} {0.685301273075 0.400494751669 0.506396882072} H34 64 1 1 {} {0.539260083 0.28796279809 0.413875340353} H35 65 1 1 {} {0.57298597912 0.362565235317 0.301207107625} H36 66 1 1 {} {0.538526460973 0.413677975702 0.582710876713} H37 67 1 1 {} {0.559119218302 0.29510345837 0.58769545697} H38 68 1 1 {} {0.617304976528 0.432379054488 0.67759662343} H39 69 1 1 {} {0.63799146999 0.355147596895 0.676223337594} H40 70 1 1 {} {0.640330641411 0.267460065037 0.298517616235} H41 71 1 1 {} {0.625131467796 0.218236209774 0.383666311259} 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