#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 {} {0.21036965357 0.527756857242 0.318280777845} C1 1 1 14 {} {0.264247067756 0.49068691646 0.276437907723} Si1 2 1 14 {} {0.163663781459 0.536219260327 0.237328735055} Si2 3 1 8 {} {0.276790060253 0.523561872348 0.178464591386} O1 4 1 8 {} {0.304175358537 0.511117439394 0.347397784148} O2 5 1 6 {} {0.262282858288 0.397510290873 0.269564129931} C2 6 1 6 {} {0.132102315621 0.456528195207 0.219618321857} C3 7 1 8 {} {0.188120249249 0.562100996849 0.143022070708} O3 8 1 8 {} {0.12831473381 0.597284623163 0.264446609359} O4 9 1 14 {} {0.355655431638 0.540033528622 0.352607951826} Si3 10 1 7 {} {0.390329598377 0.476991558957 0.394264296468} N1 11 1 14 {} {0.444590321402 0.475324470362 0.352693781963} Si4 12 1 14 {} {0.370044600361 0.42278880086 0.477106837572} Si5 13 1 7 {} {0.340904122895 0.4606252552 0.562476183478} N2 14 1 7 {} {0.465856825106 0.555559437584 0.35776553015} N3 15 1 1 {} {0.198724759195 0.499159962621 0.37674227156} H1 16 1 1 {} {0.218217221753 0.578604670222 0.342406874693} H2 17 1 1 {} {0.251318115555 0.543975861346 0.147864453353} H3 18 1 1 {} {0.257108094327 0.374488978299 0.335383348503} H4 19 1 1 {} {0.294005847385 0.378489170614 0.242785922793} H5 20 1 1 {} {0.235508418067 0.380503215299 0.224804640332} H6 21 1 1 {} {0.105593081497 0.462775932552 0.169558985418} H7 22 1 1 {} {0.116547639176 0.438838067876 0.281804567128} H8 23 1 1 {} {0.154474856438 0.416679749488 0.196003859735} H9 24 1 1 {} {0.169604961268 0.585219706119 0.0998500282922} H10 25 1 1 {} {0.099913461963 0.584877644857 0.290420509904} H11 26 1 1 {} {0.372121288404 0.559998693126 0.262764250131} H12 27 1 1 {} {0.354585123397 0.598882832264 0.413749590775} H13 28 1 1 {} {0.468911257857 0.423334467344 0.405710513277} H14 29 1 1 {} {0.446877341642 0.457592885006 0.255992280608} H15 30 1 1 {} {0.338620366464 0.373667006595 0.436705869559} H16 31 1 1 {} {0.409584134352 0.388590643212 0.516200058435} H17 32 1 1 {} {0.309298512474 0.477100901313 0.55140410648} H18 33 1 1 {} {0.356912615447 0.49108169032 0.606411482857} H19 34 1 1 {} {0.489618739283 0.56972288134 0.313057254875} H20 35 1 1 {} {0.471394527243 0.577505350401 0.417986465146} H21 36 1 6 {} {0.650112925496 0.638239721246 0.494314304387} C4 37 1 14 {} {0.610723426362 0.574384768612 0.446875159031} Si6 38 1 14 {} {0.647535940724 0.724826665345 0.449398331381} Si7 39 1 8 {} {0.607753672549 0.582661399865 0.337182706924} O5 40 1 8 {} {0.630290629675 0.499553495357 0.470768630213} O6 41 1 6 {} {0.55392657179 0.58051672965 0.496932930324} C5 42 1 6 {} {0.599916988991 0.77523029411 0.494145721139} C6 43 1 8 {} {0.64337015006 0.713890772864 0.338929982126} O7 44 1 8 {} {0.695106042739 0.766242929208 0.465102233066} O8 45 1 14 {} {0.640734613403 0.421613643229 0.442945266875} Si8 46 1 7 {} {0.595347459576 0.369492038288 0.460915116246} N4 47 1 14 {} {0.575794810549 0.320291838491 0.372413465738} Si9 48 1 14 {} {0.570682334562 0.366088152496 0.567536768732} Si10 49 1 7 {} {0.605882774837 0.384867273128 0.654373730217} N5 50 1 7 {} {0.610792106941 0.257538241257 0.335034073517} N6 51 1 1 {} {0.645795713959 0.639610925223 0.567361921771} H22 52 1 1 {} {0.684171736824 0.619516808554 0.481879655477} H23 53 1 1 {} {0.620313131018 0.624761315381 0.314995162163} H24 54 1 1 {} {0.553868519286 0.570868161653 0.569081115702} H25 55 1 1 {} {0.53252418489 0.542840357272 0.465021259696} H26 56 1 1 {} {0.539119763409 0.630186418925 0.48514515537} H27 57 1 1 {} {0.599169053188 0.825649871251 0.464772708819} H28 58 1 1 {} {0.601983158515 0.780753597924 0.567089510455} H29 59 1 1 {} {0.567829745017 0.751102690124 0.479023617937} H30 60 1 1 {} {0.651251059586 0.751356468122 0.300982266281} H31 61 1 1 {} {0.69546809461 0.801195363919 0.509807670444} H32 62 1 1 {} {0.652229725546 0.416616514673 0.346175896163} H33 63 1 1 {} {0.679912687062 0.401256517443 0.497725281052} H34 64 1 1 {} {0.534026100513 0.288271683127 0.405238775298} H35 65 1 1 {} {0.56761170624 0.36309226552 0.292819453507} H36 66 1 1 {} {0.533436928286 0.415422615192 0.573827596522} H37 67 1 1 {} {0.553532546529 0.296609976118 0.579124204458} H38 68 1 1 {} {0.612460513084 0.433474087708 0.669264443169} H39 69 1 1 {} {0.63292165295 0.355833840327 0.667558638602} H40 70 1 1 {} {0.635397025446 0.268579393196 0.290755017905} H41 71 1 1 {} {0.620297002462 0.219686286896 0.376207524969} 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