#MD System 2.0 @Title neb0_image07 @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 {} {0.218047039037 0.526326685708 0.330874883272} C1 1 1 14 {} {0.272018503404 0.489360469341 0.289082381672} Si1 2 1 14 {} {0.171369932034 0.534845668033 0.24988211734} Si2 3 1 8 {} {0.284612682789 0.522507686419 0.191253739146} O1 4 1 8 {} {0.311976671919 0.509660615713 0.359996390258} O2 5 1 6 {} {0.270032781978 0.39616898178 0.281993883647} C2 6 1 6 {} {0.139836069661 0.45511263614 0.232124952475} C3 7 1 8 {} {0.195867204295 0.560674877189 0.155583516105} O3 8 1 8 {} {0.13602194046 0.595945094659 0.276769276935} O4 9 1 14 {} {0.363472670431 0.5384780674 0.365086811468} Si3 10 1 7 {} {0.398281757761 0.475628746603 0.40668160597} N1 11 1 14 {} {0.452083580689 0.473865184907 0.365245626713} Si4 12 1 14 {} {0.377732398133 0.421540944062 0.489744255456} Si5 13 1 7 {} {0.348716574662 0.459205508169 0.574895547894} N2 14 1 7 {} {0.47296749571 0.553493841583 0.369982319715} N3 15 1 1 {} {0.206462194068 0.497718725911 0.389347987178} H1 16 1 1 {} {0.225901113778 0.577147735181 0.355051270631} H2 17 1 1 {} {0.259066900954 0.542544394534 0.160521386744} H3 18 1 1 {} {0.264885323143 0.373201024935 0.347869517568} H4 19 1 1 {} {0.301763931652 0.377151879352 0.255233782975} H5 20 1 1 {} {0.243267373762 0.379053952287 0.237317536056} H6 21 1 1 {} {0.113318993146 0.461280845776 0.182068127348} H7 22 1 1 {} {0.124303016296 0.437347295975 0.294302631452} H8 23 1 1 {} {0.162250080099 0.415304253558 0.208496951726} H9 24 1 1 {} {0.177390144726 0.583737774744 0.112373730275} H10 25 1 1 {} {0.107651870481 0.583612646633 0.302845249595} H11 26 1 1 {} {0.379848986435 0.558521426451 0.275206312988} H12 27 1 1 {} {0.362332682511 0.597386363265 0.426143420375} H13 28 1 1 {} {0.476695625152 0.421828750411 0.418451499088} H14 29 1 1 {} {0.45479464714 0.456704629419 0.269091020367} H15 30 1 1 {} {0.346346307013 0.372261285537 0.449244282375} H16 31 1 1 {} {0.417303817528 0.387181927462 0.528792496249} H17 32 1 1 {} {0.317100112157 0.475718350103 0.56398611914} H18 33 1 1 {} {0.364700393785 0.489607718437 0.618901146274} H19 34 1 1 {} {0.497396247747 0.568801177615 0.326043675738} H20 35 1 1 {} {0.479183561356 0.576228254206 0.43027364174} H21 36 1 6 {} {0.642175800624 0.639468132285 0.481739293619} C4 37 1 14 {} {0.602772924868 0.575728867905 0.434393532887} Si6 38 1 14 {} {0.639793470339 0.726137755639 0.437021498379} Si7 39 1 8 {} {0.600218237049 0.58390696294 0.324205936758} O5 40 1 8 {} {0.62231080984 0.501021697734 0.458187992881} O6 41 1 6 {} {0.546709183953 0.581906357804 0.484822614586} C5 42 1 6 {} {0.592192395848 0.776599537231 0.481689841814} C6 43 1 8 {} {0.635425129254 0.715359520256 0.326479570107} O7 44 1 8 {} {0.687363555181 0.767487215437 0.452633076879} O8 45 1 14 {} {0.632878734703 0.422910378058 0.430217834197} Si8 46 1 7 {} {0.587661425515 0.370983158147 0.448794904097} N4 47 1 14 {} {0.56818796852 0.32131589037 0.35980685701} Si9 48 1 14 {} {0.562742636372 0.367503985241 0.554232081395} Si10 49 1 7 {} {0.598276146498 0.386330091884 0.64193676597} N5 50 1 7 {} {0.603031393745 0.258986015353 0.322596286915} N6 51 1 1 {} {0.637981616511 0.641023921229 0.554880009009} H22 52 1 1 {} {0.676203575347 0.620715679806 0.469371727816} H23 53 1 1 {} {0.612675433776 0.626341738039 0.302423982264} H24 54 1 1 {} {0.545906455317 0.571985803693 0.555538046076} H25 55 1 1 {} {0.525272710945 0.544564553858 0.452749655624} H26 56 1 1 {} {0.531248968878 0.631796226868 0.472247808384} H27 57 1 1 {} {0.591431850884 0.82701517549 0.452302049391} H28 58 1 1 {} {0.594243278904 0.782110132262 0.554628841513} H29 59 1 1 {} {0.560112386464 0.752430572549 0.466486401137} H30 60 1 1 {} {0.643489934913 0.752779364808 0.288542584962} H31 61 1 1 {} {0.687732764061 0.802540201717 0.497248792828} H32 62 1 1 {} {0.644494713264 0.417994570716 0.333558447586} H33 63 1 1 {} {0.67213683386 0.40268042303 0.485109999583} H34 64 1 1 {} {0.52628944536 0.289650265462 0.392791400436} H35 65 1 1 {} {0.559885984477 0.364529498292 0.280321111603} H36 66 1 1 {} {0.525809565537 0.416918626139 0.561278347664} H37 67 1 1 {} {0.545748450662 0.298125532873 0.566697331356} H38 68 1 1 {} {0.604730776618 0.434936236458 0.656878653273} H39 69 1 1 {} {0.625212752882 0.357150665425 0.655022497635} H40 70 1 1 {} {0.62769894197 0.270005916251 0.27839651037} H41 71 1 1 {} {0.612630978604 0.22120685315 0.363816746334} 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