#MD System 2.0 @Title neb0_image04 @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 {} {0.211947116998 0.527946278882 0.319053191129} C1 1 1 14 {} {0.265090949422 0.489406378747 0.278269342005} Si1 2 1 14 {} {0.16554784387 0.535648214712 0.238797338597} Si2 3 1 8 {} {0.276391133583 0.516414043911 0.176482972456} O1 4 1 8 {} {0.305007813931 0.51240128931 0.34777743615} O2 5 1 6 {} {0.263416077134 0.396450383578 0.273061643906} C2 6 1 6 {} {0.133478948542 0.456346784101 0.222240614585} C3 7 1 8 {} {0.189328766512 0.562590282889 0.144816498947} O3 8 1 8 {} {0.130279328974 0.594779338886 0.270465393328} O4 9 1 14 {} {0.356375419543 0.541155836342 0.355752240153} Si3 10 1 7 {} {0.38951534313 0.476564522726 0.39668501354} N1 11 1 14 {} {0.440419752164 0.471426169665 0.343305847113} Si4 12 1 14 {} {0.371151462373 0.422079331793 0.480333229153} Si5 13 1 7 {} {0.341262612242 0.459237860116 0.565434531146} N2 14 1 7 {} {0.451153325338 0.558790579518 0.33165139984} N3 15 1 1 {} {0.20033906757 0.499318393507 0.377344794426} H1 16 1 1 {} {0.220707848837 0.57866850301 0.342369772307} H2 17 1 1 {} {0.252682382911 0.543651491855 0.14784239236} H3 18 1 1 {} {0.257854168821 0.372021996094 0.337500399267} H4 19 1 1 {} {0.294874381304 0.376357639332 0.246781218739} H5 20 1 1 {} {0.236669330762 0.380464644444 0.227801747857} H6 21 1 1 {} {0.107135712998 0.463832582433 0.171993695064} H7 22 1 1 {} {0.117527560727 0.439701794934 0.284806786541} H8 23 1 1 {} {0.155206763098 0.415611643891 0.198893231774} H9 24 1 1 {} {0.170043956843 0.586000590583 0.102360150411} H10 25 1 1 {} {0.101251317975 0.581797231496 0.294582431672} H11 26 1 1 {} {0.373218091262 0.560691235592 0.267715870042} H12 27 1 1 {} {0.355805181126 0.598801327336 0.417059522104} H13 28 1 1 {} {0.470000337697 0.428110279015 0.402671845344} H14 29 1 1 {} {0.445670643705 0.447801812158 0.251401305527} H15 30 1 1 {} {0.340125474881 0.372794664342 0.438767138688} H16 31 1 1 {} {0.41142067019 0.387892461491 0.517009918652} H17 32 1 1 {} {0.310095702608 0.476143768505 0.552983130973} H18 33 1 1 {} {0.356866918672 0.491364683719 0.60827423402} H19 34 1 1 {} {0.488389850827 0.563088418627 0.310960343696} H20 35 1 1 {} {0.452295691246 0.580098766838 0.393193254206} H21 36 1 6 {} {0.65290587053 0.640890845194 0.491584493966} C4 37 1 14 {} {0.614368375063 0.577172684267 0.45125058681} Si6 38 1 14 {} {0.646926353804 0.726260328861 0.445619572144} Si7 39 1 8 {} {0.600943135917 0.585497860272 0.341830633112} O5 40 1 8 {} {0.633073306051 0.50100900268 0.470063355255} O6 41 1 6 {} {0.562979922516 0.583341561194 0.516975936622} C5 42 1 6 {} {0.598636636858 0.776347946296 0.490696951394} C6 43 1 8 {} {0.645167470132 0.71325948704 0.335159339528} O7 44 1 8 {} {0.693395743915 0.770118421627 0.461739023686} O8 45 1 14 {} {0.64023400538 0.421943801298 0.442582383992} Si8 46 1 7 {} {0.593844351443 0.371153920279 0.459840814113} N4 47 1 14 {} {0.574533062988 0.321256893089 0.369778477294} Si9 48 1 14 {} {0.569112843955 0.365741369997 0.565460465929} Si10 49 1 7 {} {0.604511392954 0.384819876524 0.65262687915} N5 50 1 7 {} {0.608731270799 0.2583689055 0.330804838975} N6 51 1 1 {} {0.646256873418 0.640308549944 0.563955634419} H22 52 1 1 {} {0.687234199206 0.624603912601 0.479744632949} H23 53 1 1 {} {0.617284174799 0.622987195149 0.313497408573} H24 54 1 1 {} {0.559629803523 0.578539486761 0.590208635802} H25 55 1 1 {} {0.551247211033 0.534133810621 0.485749779744} H26 56 1 1 {} {0.542091283207 0.626469592125 0.491266940325} H27 57 1 1 {} {0.597715907126 0.826996754042 0.46125860608} H28 58 1 1 {} {0.600732965982 0.782057911603 0.563958945968} H29 59 1 1 {} {0.566087129363 0.753041455156 0.476819770895} H30 60 1 1 {} {0.6503018667 0.751599224185 0.296816860407} H31 61 1 1 {} {0.694131832949 0.802866875793 0.507895382381} H32 62 1 1 {} {0.651052055425 0.417807457434 0.345261282839} H33 63 1 1 {} {0.679540782126 0.40156028641 0.497767939391} H34 64 1 1 {} {0.532748146168 0.289912763592 0.402019049198} H35 65 1 1 {} {0.565920108445 0.363929555111 0.289950444051} H36 66 1 1 {} {0.531224562247 0.413820602951 0.574835942747} H37 67 1 1 {} {0.553264579926 0.295016062834 0.576620913256} H38 68 1 1 {} {0.61094028377 0.434515418021 0.66593352888} H39 69 1 1 {} {0.632141528529 0.356764880236 0.666779440301} H40 70 1 1 {} {0.632898370468 0.268808979242 0.286251584476} H41 71 1 1 {} {0.617323155733 0.218927782869 0.370761886777} 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