#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 {} {0.210394727959 0.52775233914 0.318284287887} C1 1 1 14 {} {0.264260269054 0.490655015208 0.276441732104} Si1 2 1 14 {} {0.163689099069 0.536217196393 0.237367277928} Si2 3 1 8 {} {0.276793316885 0.523480355826 0.178408010857} O1 4 1 8 {} {0.304172358564 0.511142170262 0.347419447764} O2 5 1 6 {} {0.262298411717 0.397472478688 0.269621927967} C2 6 1 6 {} {0.132124308082 0.456527026616 0.219647134615} C3 7 1 8 {} {0.188120307391 0.562117435424 0.143031555554} O3 8 1 8 {} {0.128324157167 0.59726056472 0.264534714386} O4 9 1 14 {} {0.355666424616 0.54005535991 0.35265066369} Si3 10 1 7 {} {0.390332725674 0.476975761994 0.394250980768} N1 11 1 14 {} {0.444561118422 0.475331599387 0.352517714625} Si4 12 1 14 {} {0.370053663377 0.422768145105 0.477164347699} Si5 13 1 7 {} {0.340919283241 0.460607710492 0.562538934877} N2 14 1 7 {} {0.465680898957 0.555634010866 0.357448373629} N3 15 1 1 {} {0.198745146008 0.499168436555 0.376765132441} H1 16 1 1 {} {0.218246444301 0.578601507045 0.342408170214} H2 17 1 1 {} {0.251337634821 0.543958911772 0.147879029833} H3 18 1 1 {} {0.257113212646 0.374453745504 0.335438341597} H4 19 1 1 {} {0.29401811527 0.378467169736 0.24283183651} H5 20 1 1 {} {0.235521653145 0.380501190492 0.224836825235} H6 21 1 1 {} {0.105612988294 0.462786875875 0.169594268496} H7 22 1 1 {} {0.116560651723 0.438851932523 0.281844579255} H8 23 1 1 {} {0.154483553564 0.416655378906 0.196041174045} H9 24 1 1 {} {0.169617783559 0.585223121617 0.099899332319} H10 25 1 1 {} {0.0999451459732 0.584832310455 0.290466055703} H11 26 1 1 {} {0.372136126803 0.560011562689 0.262805861474} H12 27 1 1 {} {0.354596895391 0.598885817181 0.413806513445} H13 28 1 1 {} {0.468926615232 0.423393135519 0.405667952561} H14 29 1 1 {} {0.446834857115 0.45740616539 0.255903984835} H15 30 1 1 {} {0.338630120876 0.373632710119 0.436736206887} H16 31 1 1 {} {0.409605168248 0.388585218115 0.51621725517} H17 32 1 1 {} {0.309295709458 0.47708699947 0.551417617042} H18 33 1 1 {} {0.356912248641 0.491085250214 0.606442256122} H19 34 1 1 {} {0.489603320169 0.569600720498 0.31291745533} H20 35 1 1 {} {0.471106995254 0.577567690975 0.417742242176} H21 36 1 6 {} {0.650179654654 0.63828762527 0.494291647163} C4 37 1 14 {} {0.610766034565 0.574442113775 0.44696076803} Si6 38 1 14 {} {0.647541549899 0.724859542394 0.449333484708} Si7 39 1 8 {} {0.607657976427 0.582692760717 0.337311898692} O5 40 1 8 {} {0.630345007355 0.49955657642 0.470755064265} O6 41 1 6 {} {0.554017243509 0.580549500114 0.497150072068} C5 42 1 6 {} {0.599897374767 0.7752331172 0.494093852291} C6 43 1 8 {} {0.643389126962 0.713878351674 0.338885162247} O7 44 1 8 {} {0.695089424041 0.766287152119 0.465025607514} O8 45 1 14 {} {0.640725872928 0.421619840124 0.442930699957} Si8 46 1 7 {} {0.595328940426 0.369521107622 0.460919798007} N4 47 1 14 {} {0.575769219506 0.320306471197 0.372367759128} Si9 48 1 14 {} {0.570665130753 0.366079540851 0.56747803006} Si10 49 1 7 {} {0.605884205387 0.384896723953 0.654378220199} N5 50 1 7 {} {0.610752133165 0.257549074648 0.335008268822} N6 51 1 1 {} {0.645811649434 0.639627576228 0.567311303389} H22 52 1 1 {} {0.684248579354 0.619603236575 0.481856776118} H23 53 1 1 {} {0.6202647463 0.624737911323 0.314979605641} H24 54 1 1 {} {0.553986203853 0.571000347879 0.569380351081} H25 55 1 1 {} {0.532708024905 0.542699177168 0.465309322625} H26 56 1 1 {} {0.539166548017 0.63009657028 0.485258111415} H27 57 1 1 {} {0.599151349314 0.825674423993 0.464726401624} H28 58 1 1 {} {0.601971470479 0.78077390475 0.56703493895} H29 59 1 1 {} {0.567802193157 0.751125980967 0.478989133125} H30 60 1 1 {} {0.651240189212 0.751364690885 0.300919160097} H31 61 1 1 {} {0.695448457383 0.801245343645 0.509815650903} H32 62 1 1 {} {0.652216441222 0.416628332832 0.346166826101} H33 63 1 1 {} {0.679906388933 0.401251908726 0.497726565791} H34 64 1 1 {} {0.534010204997 0.288295549668 0.405201434209} H35 65 1 1 {} {0.567590862602 0.363112935979 0.292775590069} H36 66 1 1 {} {0.533412730405 0.415387229738 0.573842410926} H37 67 1 1 {} {0.553530045612 0.296594602352 0.579092420325} H38 68 1 1 {} {0.612431584431 0.433460898907 0.669210530056} H39 69 1 1 {} {0.632898855882 0.355850002588 0.667537118144} H40 70 1 1 {} {0.635373846661 0.268580902689 0.29067699342} H41 71 1 1 {} {0.620257112208 0.219678886249 0.376117969882} 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