#MD System 2.0 @Title neb0_image01 @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 {} {0.202514132042 0.529169146884 0.305672550076} C1 1 1 14 {} {0.256455272525 0.492204039552 0.263821869242} Si1 2 1 14 {} {0.155807987321 0.537694335479 0.224702865515} Si2 3 1 8 {} {0.269079160884 0.52541802048 0.166082574408} O1 4 1 8 {} {0.296399073683 0.512471349627 0.334841304125} O2 5 1 6 {} {0.254479782113 0.399005823036 0.25681206572} C2 6 1 6 {} {0.124281405254 0.457966637903 0.206921624199} C3 7 1 8 {} {0.180311571796 0.563487134627 0.130398812267} O3 8 1 8 {} {0.120462745822 0.598862663861 0.251531273749} O4 9 1 14 {} {0.347898434688 0.541381419144 0.339888236917} Si3 10 1 7 {} {0.382644535742 0.478474453399 0.381523644122} N1 11 1 14 {} {0.437093087645 0.476949929854 0.340691250076} Si4 12 1 14 {} {0.362258781431 0.424287894848 0.464322970929} Si5 13 1 7 {} {0.333145631649 0.462121790665 0.549729364721} N2 14 1 7 {} {0.459065072997 0.556684259212 0.346877299355} N3 15 1 1 {} {0.190895413803 0.500576544834 0.364180110256} H1 16 1 1 {} {0.21032776756 0.580008001839 0.329875097395} H2 17 1 1 {} {0.243496408983 0.545404107728 0.135341420699} H3 18 1 1 {} {0.249324063502 0.37607239392 0.322700286853} H4 19 1 1 {} {0.286205630251 0.380034137578 0.230014224756} H5 20 1 1 {} {0.227703681836 0.381909898592 0.212099122429} H6 21 1 1 {} {0.0977590704894 0.464127543967 0.156873223765} H7 22 1 1 {} {0.108748536478 0.440201476933 0.269092313153} H8 23 1 1 {} {0.146689055542 0.418168049415 0.183295348503} H9 24 1 1 {} {0.161834025351 0.586599043026 0.0871577271335} H10 25 1 1 {} {0.0920856906249 0.586484844083 0.277639634258} H11 26 1 1 {} {0.364297002801 0.561370068591 0.249953604133} H12 27 1 1 {} {0.34676716577 0.600267540005 0.400979368314} H13 28 1 1 {} {0.461103094675 0.424520548968 0.393307416442} H14 29 1 1 {} {0.439193065929 0.459624377454 0.24387239831} H15 30 1 1 {} {0.330773369466 0.375118325754 0.424064561003} H16 31 1 1 {} {0.401726027254 0.390053638853 0.503640488915} H17 32 1 1 {} {0.301522554065 0.478581484163 0.538795904273} H18 33 1 1 {} {0.349169761838 0.49248604047 0.593762199926} H19 34 1 1 {} {0.481923462688 0.571598103076 0.300815498443} H20 35 1 1 {} {0.46488162677 0.578807728231 0.406839701561} H21 36 1 6 {} {0.657682678671 0.636635121075 0.507033399278} C4 37 1 14 {} {0.618190306388 0.572793938657 0.459098165598} Si6 38 1 14 {} {0.65531465614 0.723270894084 0.462164774768} Si7 39 1 8 {} {0.615924482671 0.581072960568 0.349451731301} O5 40 1 8 {} {0.63787554347 0.498034821312 0.483368817972} O6 41 1 6 {} {0.561090160122 0.578938649841 0.508125780163} C5 42 1 6 {} {0.607740147433 0.7737221852 0.506880236212} C6 43 1 8 {} {0.650994381286 0.712539072736 0.351713955104} O7 44 1 8 {} {0.702961629482 0.764628032555 0.477841854634} O8 45 1 14 {} {0.64850266161 0.420177526249 0.455478053828} Si8 46 1 7 {} {0.603166331621 0.367980973158 0.473592786971} N4 47 1 14 {} {0.583609699101 0.318786274293 0.385085763718} Si9 48 1 14 {} {0.57851304839 0.364689883272 0.580119973955} Si10 49 1 7 {} {0.613706343669 0.383439580533 0.667048277013} N5 50 1 7 {} {0.618660973057 0.256089581626 0.34782496431} N6 51 1 1 {} {0.653543001655 0.638175050072 0.580108711217} H22 52 1 1 {} {0.691743408904 0.617809701448 0.494572919097} H23 53 1 1 {} {0.628223715859 0.623435290528 0.327649229299} H24 54 1 1 {} {0.561270901311 0.568963324243 0.5802727509} H25 55 1 1 {} {0.539009422233 0.54199289127 0.476349328184} H26 56 1 1 {} {0.5466693744 0.628912412283 0.497309198393} H27 57 1 1 {} {0.60699427271 0.824161242092 0.477508431303} H28 58 1 1 {} {0.609804939616 0.779246949791 0.579810834884} H29 59 1 1 {} {0.575678488313 0.749554658227 0.491679649774} H30 60 1 1 {} {0.659046284705 0.749913880369 0.313760827276} H31 61 1 1 {} {0.703290525795 0.799678297785 0.522458087857} H32 62 1 1 {} {0.660048670664 0.41511103406 0.3587469378} H33 63 1 1 {} {0.687679618833 0.399791389382 0.510261951438} H34 64 1 1 {} {0.541840312226 0.286749743727 0.417976712331} H35 65 1 1 {} {0.575453865401 0.361635030605 0.30550891364} H36 66 1 1 {} {0.541324026913 0.414080104719 0.586278502085} H37 67 1 1 {} {0.561290249299 0.295288310172 0.591805139006} H38 68 1 1 {} {0.620292461319 0.432030963916 0.682011694064} H39 69 1 1 {} {0.640720088241 0.354330710665 0.680138110791} H40 70 1 1 {} {0.643280760469 0.26713864189 0.3035780691} H41 71 1 1 {} {0.628217274409 0.218311032951 0.389076238609} 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