#MD System 2.0 @Title neb0_image03 @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 {} {0.207685976241 0.528241456592 0.314023438141} C1 1 1 14 {} {0.261601109002 0.49124787998 0.272270325882} Si1 2 1 14 {} {0.161004765378 0.536705407631 0.233007090573} Si2 3 1 8 {} {0.274160029533 0.52423248825 0.174399291344} O1 4 1 8 {} {0.301650735727 0.511511689662 0.343099484439} O2 5 1 6 {} {0.259636170728 0.398083301414 0.265227011708} C2 6 1 6 {} {0.129441922746 0.457015534129 0.215287647199} C3 7 1 8 {} {0.185530158834 0.562545466707 0.138751002183} O3 8 1 8 {} {0.125687668032 0.597843929 0.260053302276} O4 9 1 14 {} {0.353099285479 0.540472416901 0.34836300922} Si3 10 1 7 {} {0.387818574079 0.477553750637 0.389963531927} N1 11 1 14 {} {0.442161631142 0.47586583682 0.348856335142} Si4 12 1 14 {} {0.367448651119 0.423334392784 0.472703705678} Si5 13 1 7 {} {0.338302974346 0.461114359851 0.558125985676} N2 14 1 7 {} {0.463987664549 0.555641601954 0.354822744624} N3 15 1 1 {} {0.196082543022 0.499619035976 0.372491142392} H1 16 1 1 {} {0.215552096714 0.579074950253 0.338162141144} H2 17 1 1 {} {0.248692840736 0.544481325508 0.143619288278} H3 18 1 1 {} {0.254485285742 0.375048442112 0.331020945483} H4 19 1 1 {} {0.291348865543 0.37901469631 0.238484783493} H5 20 1 1 {} {0.232868530979 0.380974227912 0.220531134825} H6 21 1 1 {} {0.102931766564 0.463239306616 0.165227501094} H7 22 1 1 {} {0.113900353085 0.439289256243 0.277483158832} H8 23 1 1 {} {0.15184874744 0.417204407105 0.191685515327} H9 24 1 1 {} {0.166994762939 0.58564932105 0.0956098018088} H10 25 1 1 {} {0.09728363751 0.585493718787 0.286048420579} H11 26 1 1 {} {0.369471480525 0.560447300946 0.258527882193} H12 27 1 1 {} {0.351946344832 0.599303868567 0.409366475312} H13 28 1 1 {} {0.466262421894 0.423634197638 0.401559981481} H14 29 1 1 {} {0.444349466722 0.458568957292 0.252179831094} H15 30 1 1 {} {0.335978371154 0.374189926854 0.432424409241} H16 31 1 1 {} {0.406914668688 0.389071683319 0.511967271704} H17 32 1 1 {} {0.306689284766 0.477627903451 0.547168751825} H18 33 1 1 {} {0.354284017882 0.491555522526 0.602087448369} H19 34 1 1 {} {0.487085725027 0.570595630898 0.309299732587} H20 35 1 1 {} {0.469817255632 0.57788640512 0.414687848599} H21 36 1 6 {} {0.65253020615 0.637616546789 0.498629264252} C4 37 1 14 {} {0.613089754592 0.573782208229 0.45076300076} Si6 38 1 14 {} {0.650168354266 0.724237680826 0.453767169524} Si7 39 1 8 {} {0.610611197208 0.582077425996 0.341074993139} O5 40 1 8 {} {0.632807104513 0.499072369378 0.475021661033} O6 41 1 6 {} {0.556089337206 0.57993067707 0.500171204171} C5 42 1 6 {} {0.602583751811 0.774703528107 0.498514380414} C6 43 1 8 {} {0.645981279302 0.71344964364 0.343269131719} O7 44 1 8 {} {0.697768031707 0.765624379529 0.469448325864} O8 45 1 14 {} {0.643337888434 0.421165506079 0.447191077123} Si8 46 1 7 {} {0.598004584374 0.368922124789 0.465215182025} N4 47 1 14 {} {0.57843870824 0.319743264653 0.376762123727} Si9 48 1 14 {} {0.573308806813 0.36561944952 0.571747747928} Si10 49 1 7 {} {0.60849494047 0.384380912303 0.658576678937} N5 50 1 7 {} {0.613431088188 0.257011045189 0.339351389731} N6 51 1 1 {} {0.648391254698 0.639127054373 0.571710532793} H22 52 1 1 {} {0.68659590641 0.618879381653 0.486170455832} H23 53 1 1 {} {0.623033422756 0.624377225266 0.319227928965} H24 54 1 1 {} {0.556120787225 0.570028866424 0.57230038221} H25 55 1 1 {} {0.534209346035 0.542824305671 0.468299452969} H26 56 1 1 {} {0.541546931602 0.629803872332 0.489042876889} H27 57 1 1 {} {0.601802886585 0.82512094938 0.469089329057} H28 58 1 1 {} {0.604613449867 0.78023409921 0.571465745617} H29 59 1 1 {} {0.570507099068 0.750563420374 0.483327262911} H30 60 1 1 {} {0.653885818012 0.750887147279 0.305290544201} H31 61 1 1 {} {0.698108412011 0.800670245614 0.514069933956} H32 62 1 1 {} {0.654856899624 0.416092659308 0.350382985179} H33 63 1 1 {} {0.682523639476 0.400780868182 0.501943076427} H34 64 1 1 {} {0.536655919416 0.287774111175 0.409581635466} H35 65 1 1 {} {0.570258385323 0.36258956801 0.297172711683} H36 66 1 1 {} {0.536095790308 0.415001436227 0.578038350324} H37 67 1 1 {} {0.556145516367 0.296137280281 0.583470373303} H38 68 1 1 {} {0.615102483875 0.433003128459 0.673600479649} H39 69 1 1 {} {0.635573925512 0.355315637434 0.67184109138} H40 70 1 1 {} {0.638037379243 0.268117921435 0.295117067518} H41 71 1 1 {} {0.622961792267 0.219257386649 0.380575195446} 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