#MD System 2.0 @Title neb0_image08 @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 {} {0.221441585926 0.525707912573 0.336306116767} C1 1 1 14 {} {0.275284774958 0.488685779965 0.294412590764} Si1 2 1 14 {} {0.174815503693 0.534213345016 0.255368363986} Si2 3 1 8 {} {0.287907307406 0.52151454684 0.196466297315} O1 4 1 8 {} {0.314798054839 0.509525966104 0.365719703843} O2 5 1 6 {} {0.273419845354 0.395480037322 0.28758837418} C2 6 1 6 {} {0.14323610128 0.454516158519 0.237558988828} C3 7 1 8 {} {0.199280023525 0.560340719146 0.161151343919} O3 8 1 8 {} {0.13939157189 0.595195000673 0.282485508842} O4 9 1 14 {} {0.366301512305 0.538117959058 0.370027345027} Si3 10 1 7 {} {0.400190300893 0.473740738144 0.411097881434} N1 11 1 14 {} {0.453533110207 0.472940949942 0.36491994648} Si4 12 1 14 {} {0.380681535821 0.419952711211 0.495706596403} Si5 13 1 7 {} {0.351832791185 0.45851103129 0.581275684556} N2 14 1 7 {} {0.468491099733 0.556158121778 0.361775911588} N3 15 1 1 {} {0.209837932913 0.497122185097 0.39479800396} H1 16 1 1 {} {0.229351166643 0.576530408018 0.360408981484} H2 17 1 1 {} {0.262453426648 0.541924989936 0.165852692473} H3 18 1 1 {} {0.268225807523 0.372435755821 0.353397163352} H4 19 1 1 {} {0.305129125276 0.376417773069 0.260791299055} H5 20 1 1 {} {0.246636611846 0.378480176505 0.242822422215} H6 21 1 1 {} {0.116701818109 0.460747105886 0.187539272317} H7 22 1 1 {} {0.127671193018 0.436843394934 0.299765669464} H8 23 1 1 {} {0.165572066459 0.414599475922 0.213994156246} H9 24 1 1 {} {0.180689430869 0.583173928715 0.117875921678} H10 25 1 1 {} {0.11101661675 0.582739672367 0.308467037103} H11 26 1 1 {} {0.382751490994 0.55771005911 0.280135726598} H12 27 1 1 {} {0.36583790726 0.596855057998 0.431851256336} H13 28 1 1 {} {0.479784764487 0.424458868993 0.421052654211} H14 29 1 1 {} {0.456955854955 0.450286390859 0.268862859003} H15 30 1 1 {} {0.34934763094 0.370807101651 0.455183776783} H16 31 1 1 {} {0.420739573029 0.386550551335 0.534259877256} H17 32 1 1 {} {0.320285216911 0.475240187645 0.569567697519} H18 33 1 1 {} {0.367980311376 0.489243397723 0.624803310033} H19 34 1 1 {} {0.496611309146 0.565859821417 0.325977869947} H20 35 1 1 {} {0.468698324605 0.57801318801 0.423417319511} H21 36 1 6 {} {0.642224599728 0.641716911843 0.476508163167} C4 37 1 14 {} {0.602588236597 0.577863942715 0.432611860647} Si6 38 1 14 {} {0.63693031534 0.727617031101 0.431068746147} Si7 39 1 8 {} {0.595892150086 0.585277361633 0.322997341013} O5 40 1 8 {} {0.620307949059 0.501335173805 0.452450813862} O6 41 1 6 {} {0.547646935505 0.58325585992 0.488974479487} C5 42 1 6 {} {0.588870020567 0.777072014316 0.476114026436} C6 43 1 8 {} {0.632332229323 0.7158768037 0.320883675451} O7 44 1 8 {} {0.684299387727 0.76904629402 0.446715967303} O8 45 1 14 {} {0.629828903143 0.423028583537 0.424729299824} Si8 46 1 7 {} {0.584236772334 0.371461449558 0.443324126704} N4 47 1 14 {} {0.564603095332 0.322131227547 0.354394124165} Si9 48 1 14 {} {0.55959074986 0.367946139705 0.549672731919} Si10 49 1 7 {} {0.595109503867 0.386779521525 0.636163119447} N5 50 1 7 {} {0.599562014178 0.259369733835 0.316823201868} N6 51 1 1 {} {0.635214762735 0.641568161156 0.548754948103} H22 52 1 1 {} {0.676360708556 0.623107123614 0.464645133438} H23 53 1 1 {} {0.608436198775 0.626333491379 0.297432447581} H24 54 1 1 {} {0.547739831406 0.577203738871 0.562478983783} H25 55 1 1 {} {0.531297769484 0.539907619657 0.457182844009} H26 56 1 1 {} {0.530216614057 0.630166750824 0.470923337716} H27 57 1 1 {} {0.588108257798 0.82750619941 0.446733418223} H28 58 1 1 {} {0.590891718157 0.782752792616 0.549027322774} H29 59 1 1 {} {0.556737412718 0.753099350441 0.460967392983} H30 60 1 1 {} {0.640046168373 0.75331834244 0.282784313663} H31 61 1 1 {} {0.684411578868 0.80361375488 0.491881510087} H32 62 1 1 {} {0.641110568127 0.418506822321 0.327943650341} H33 63 1 1 {} {0.668968702477 0.403093387126 0.479861538269} H34 64 1 1 {} {0.522916786147 0.2901691871 0.387445977717} H35 65 1 1 {} {0.556493279673 0.365170686967 0.274984301801} H36 66 1 1 {} {0.522703789448 0.417512613207 0.557324398628} H37 67 1 1 {} {0.542344086044 0.298571394144 0.561208124492} H38 68 1 1 {} {0.601258355366 0.435497076106 0.65150270119} H39 69 1 1 {} {0.622064199745 0.357654503115 0.649838949204} H40 70 1 1 {} {0.624253635874 0.270556099807 0.272786020168} H41 71 1 1 {} {0.609197872458 0.221575333073 0.357983517372} 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