#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 {} {0.360023540894 0.551439880906 0.413692244398} C1 1 1 14 {} {0.336771959456 0.524841475087 0.524401831131} Si1 2 1 14 {} {0.42166258579 0.56228014326 0.40930142871} Si2 3 1 8 {} {0.349851328828 0.581561436729 0.600312134229} O1 4 1 8 {} {0.281600997238 0.522999305701 0.517349618011} O2 5 1 6 {} {0.355630373182 0.439611462578 0.559034336948} C2 6 1 6 {} {0.452878246356 0.482011500845 0.394647060612} C3 7 1 8 {} {0.434595667983 0.597258381377 0.508194494356} O3 8 1 8 {} {0.434671148107 0.613691105421 0.326172227209} O4 9 1 14 {} {0.231377855654 0.527548879987 0.558545170627} Si3 10 1 7 {} {0.211649873775 0.44946518931 0.592825327829} N1 11 1 14 {} {0.189196634579 0.441202385933 0.700255820383} Si4 12 1 14 {} {0.212171346386 0.381843177402 0.517742893864} Si5 13 1 7 {} {0.206103385316 0.403150236723 0.407339341334} N2 14 1 7 {} {0.138741107272 0.480214276356 0.720399211679} N3 15 1 1 {} {0.350005111996 0.515715347383 0.361351997834} H1 16 1 1 {} {0.344404856871 0.599785617391 0.396649767131} H2 17 1 1 {} {0.379742334805 0.599973346075 0.590752244937} H3 18 1 1 {} {0.3469209999 0.401035465087 0.509717111395} H4 19 1 1 {} {0.339914288515 0.425797157098 0.622735897043} H5 20 1 1 {} {0.391987849991 0.438382137029 0.569026888195} H6 21 1 1 {} {0.488965179636 0.491637524967 0.391512264029} H7 22 1 1 {} {0.4432932206 0.457727025998 0.331623554804} H8 23 1 1 {} {0.446720279553 0.446444304734 0.449162484851} H9 24 1 1 {} {0.465357898198 0.611819625661 0.514356265898} H10 25 1 1 {} {0.466682610743 0.616243736113 0.314971823621} H11 26 1 1 {} {0.229620020135 0.571799116823 0.638823221641} H12 27 1 1 {} {0.202464705735 0.555741522016 0.486950241912} H13 28 1 1 {} {0.182496478659 0.368124373361 0.714504402841} H14 29 1 1 {} {0.220719014346 0.470393712771 0.766279023476} H15 30 1 1 {} {0.255442455378 0.345286097377 0.523520226143} H16 31 1 1 {} {0.174597689552 0.337162501566 0.54432067159} H17 32 1 1 {} {0.233122332 0.417677566967 0.371234554407} H18 33 1 1 {} {0.178107369762 0.426412615664 0.385100592392} H19 34 1 1 {} {0.137977034463 0.529829352798 0.73539551054} H20 35 1 1 {} {0.110722316104 0.466477000969 0.686858228596} H21 36 1 6 {} {0.630792707374 0.641183527728 0.349341333634} C4 37 1 14 {} {0.58771889928 0.578657057194 0.386703106176} Si6 38 1 14 {} {0.625145746275 0.729675799818 0.385819624328} Si7 39 1 8 {} {0.537457447565 0.614457778222 0.381231085608} O5 40 1 8 {} {0.58843860191 0.514256362682 0.319673801878} O6 41 1 6 {} {0.598746750935 0.54673999994 0.501631702435} C5 42 1 6 {} {0.643335598232 0.746729693626 0.503004601629} C6 43 1 8 {} {0.570307010994 0.744495246516 0.374293428213} O7 44 1 8 {} {0.65298423052 0.779010385792 0.316000962388} O8 45 1 14 {} {0.582092641097 0.453819458064 0.246574001308} Si8 46 1 7 {} {0.594573193917 0.375751427689 0.289611695853} N4 47 1 14 {} {0.55099124973 0.319488544202 0.313302107697} Si9 48 1 14 {} {0.649192935883 0.350408180616 0.314939050967} Si10 49 1 7 {} {0.690224920368 0.396600418031 0.263837220026} N5 50 1 7 {} {0.527033922905 0.27628872293 0.22631480648} N6 51 1 1 {} {0.664206104925 0.622852280124 0.368101706974} H22 52 1 1 {} {0.630062452572 0.641991105817 0.275675575251} H23 53 1 1 {} {0.539796164451 0.663495844953 0.376444335001} H24 54 1 1 {} {0.630871484975 0.520185909975 0.504372286614} H25 55 1 1 {} {0.572646625884 0.511215292144 0.521977192271} H26 56 1 1 {} {0.59966812795 0.587269217136 0.551198255526} H27 57 1 1 {} {0.638073715052 0.799494256914 0.521204633091} H28 58 1 1 {} {0.678932267124 0.735332222641 0.512395847067} H29 59 1 1 {} {0.62435113628 0.716193126639 0.550771652628} H30 60 1 1 {} {0.55988961979 0.790352365974 0.371436388567} H31 61 1 1 {} {0.670847831216 0.814744034266 0.341080907674} H32 62 1 1 {} {0.534437348519 0.451870429335 0.21795583088} H33 63 1 1 {} {0.611329208681 0.469897624256 0.169149258781} H34 64 1 1 {} {0.570938351975 0.268685154639 0.374377250286} H35 65 1 1 {} {0.514181130266 0.357391022701 0.356487339993} H36 66 1 1 {} {0.658445737123 0.356495159828 0.412518812781} H37 67 1 1 {} {0.652968452747 0.278971740766 0.286856655121} H38 68 1 1 {} {0.703475846215 0.437399437228 0.294158358963} H39 69 1 1 {} {0.693190053948 0.399543918753 0.196450258882} H40 70 1 1 {} {0.504882169878 0.299575862065 0.185296013793} H41 71 1 1 {} {0.544502536285 0.240833660559 0.192304429315} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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