#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 {} {0.21756650718 0.526322733785 0.329556758197} C1 1 1 14 {} {0.271319252071 0.489078488743 0.288293568604} Si1 2 1 14 {} {0.171092238356 0.534793306419 0.249470798269} Si2 3 1 8 {} {0.283843605457 0.518881653057 0.188398830819} O1 4 1 8 {} {0.309187938623 0.513132677812 0.361047885257} O2 5 1 6 {} {0.270100223246 0.395619256628 0.28303447022} C2 6 1 6 {} {0.139829490435 0.455055549409 0.231352888313} C3 7 1 8 {} {0.195593697115 0.562431952577 0.15605571163} O3 8 1 8 {} {0.135326418535 0.594943288982 0.278699999408} O4 9 1 14 {} {0.360922520451 0.53845797407 0.363147949612} Si3 10 1 7 {} {0.393538235105 0.471924947226 0.400454796524} N1 11 1 14 {} {0.444567639135 0.471428610763 0.345582147843} Si4 12 1 14 {} {0.376639482794 0.420275056183 0.488090779566} Si5 13 1 7 {} {0.348360686592 0.458708760879 0.575059604036} N2 14 1 7 {} {0.452259338222 0.555492037685 0.327818278947} N3 15 1 1 {} {0.206590146343 0.498043121082 0.388783055195} H1 16 1 1 {} {0.226297690199 0.576957289731 0.353310668181} H2 17 1 1 {} {0.259160565869 0.542304027006 0.159127660576} H3 18 1 1 {} {0.264752634282 0.372398738214 0.348706950935} H4 19 1 1 {} {0.30178269028 0.376398251191 0.2561888485} H5 20 1 1 {} {0.24334569499 0.378810030541 0.237919167957} H6 21 1 1 {} {0.113284588369 0.461606297758 0.1816288706} H7 22 1 1 {} {0.124193790885 0.43810620421 0.293759807322} H8 23 1 1 {} {0.16166674165 0.414491648783 0.208116284654} H9 24 1 1 {} {0.176852855567 0.584382448824 0.112480258279} H10 25 1 1 {} {0.107304887374 0.581126110226 0.304432622519} H11 26 1 1 {} {0.376802467712 0.55845162061 0.274038756942} H12 27 1 1 {} {0.3628884113 0.596571535913 0.426408541677} H13 28 1 1 {} {0.47652118864 0.437350630115 0.404237368342} H14 29 1 1 {} {0.447477363043 0.434882793026 0.256141957187} H15 30 1 1 {} {0.344992988698 0.369020615155 0.453561109578} H16 31 1 1 {} {0.416698818724 0.387767973128 0.52841888957} H17 32 1 1 {} {0.316695592644 0.475795461205 0.564641787275} H18 33 1 1 {} {0.363701035481 0.490033663795 0.618993850323} H19 34 1 1 {} {0.484237256923 0.565475991644 0.314904949126} H20 35 1 1 {} {0.440367506778 0.586508248899 0.378590268291} H21 36 1 6 {} {0.652284806585 0.641593997535 0.482581594913} C4 37 1 14 {} {0.611057688096 0.577888910016 0.443938161221} Si6 38 1 14 {} {0.642663931919 0.727516270701 0.43607784926} Si7 39 1 8 {} {0.59533527666 0.587257336558 0.339992287081} O5 40 1 8 {} {0.629844309395 0.501503389563 0.459123275938} O6 41 1 6 {} {0.560479492386 0.580921153932 0.514019633163} C5 42 1 6 {} {0.592827301209 0.77570482342 0.480474765834} C6 43 1 8 {} {0.637807132081 0.715476337703 0.325894269131} O7 44 1 8 {} {0.688411115312 0.7744902425 0.449635033374} O8 45 1 14 {} {0.634705439168 0.422437871412 0.430658203059} Si8 46 1 7 {} {0.587957500789 0.372181066297 0.449375062895} N4 47 1 14 {} {0.56770252479 0.322217094474 0.359682963721} Si9 48 1 14 {} {0.563652031241 0.366710608207 0.556174568719} Si10 49 1 7 {} {0.598629216677 0.385846026787 0.642118652569} N5 50 1 7 {} {0.602662465317 0.259040121695 0.321981277075} N6 51 1 1 {} {0.644844732871 0.643515298047 0.554515654834} H22 52 1 1 {} {0.688486871585 0.630812041372 0.474956861665} H23 53 1 1 {} {0.609020001603 0.623570404364 0.306670563686} H24 54 1 1 {} {0.565806403725 0.587682838485 0.587185059285} H25 55 1 1 {} {0.54603181379 0.531863520784 0.499822426841} H26 56 1 1 {} {0.537784703055 0.619599477298 0.490029004674} H27 57 1 1 {} {0.591646872638 0.826507306149 0.451458271179} H28 58 1 1 {} {0.594786875172 0.782067747494 0.553440628656} H29 59 1 1 {} {0.560280668917 0.75244268604 0.466073347109} H30 60 1 1 {} {0.643627454478 0.752806747875 0.286007309222} H31 61 1 1 {} {0.688004987569 0.806194596375 0.499166518647} H32 62 1 1 {} {0.644498152818 0.416672631992 0.333700650176} H33 63 1 1 {} {0.673384799221 0.39985691235 0.48540110492} H34 64 1 1 {} {0.526349321868 0.289510600118 0.393358442598} H35 65 1 1 {} {0.55999538903 0.364712087536 0.281051759268} H36 66 1 1 {} {0.525906060603 0.416237557561 0.565101295256} H37 67 1 1 {} {0.546000362294 0.297558045073 0.566911138813} H38 68 1 1 {} {0.604541274322 0.434722210144 0.658290655983} H39 69 1 1 {} {0.626078454329 0.357522101944 0.656278184293} H40 70 1 1 {} {0.6270347651 0.26976669456 0.276975718495} H41 71 1 1 {} {0.611785561465 0.21986731063 0.361229350858} 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