#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 {} {0.211065110831 0.527654248553 0.318590587322} C1 1 1 14 {} {0.264790258375 0.49009166252 0.277130972209} Si1 2 1 14 {} {0.164310232461 0.535930734248 0.238171337523} Si2 3 1 8 {} {0.276834392691 0.520764097472 0.177684862771} O1 4 1 8 {} {0.304391541126 0.511931053942 0.3477823868} O2 5 1 6 {} {0.262737989254 0.396897475846 0.271161830663} C2 6 1 6 {} {0.132687909273 0.456436991867 0.220663704888} C3 7 1 8 {} {0.188470984588 0.562485624081 0.14369116701} O3 8 1 8 {} {0.128863178766 0.59668483801 0.266945344218} O4 9 1 14 {} {0.355831326176 0.540161637445 0.353468590434} Si3 10 1 7 {} {0.389920055781 0.476467442309 0.394517878488} N1 11 1 14 {} {0.443392720293 0.474108817958 0.349290307183} Si4 12 1 14 {} {0.370442087672 0.422541859301 0.477633932966} Si5 13 1 7 {} {0.341265833259 0.460076497658 0.563557254021} N2 14 1 7 {} {0.461041488683 0.556519516298 0.347875447169} N3 15 1 1 {} {0.19946591245 0.499406398181 0.377278816789} H1 16 1 1 {} {0.219215365392 0.578440615913 0.342394410727} H2 17 1 1 {} {0.251903465288 0.543401557459 0.14820227741} H3 18 1 1 {} {0.257344391415 0.373515518122 0.336669625606} H4 19 1 1 {} {0.294398872888 0.377570969006 0.244347007402} H5 20 1 1 {} {0.235999445515 0.380219671195 0.226033927372} H6 21 1 1 {} {0.106239660581 0.463063396196 0.170621578845} H7 22 1 1 {} {0.117018631741 0.439243723923 0.282900998489} H8 23 1 1 {} {0.154727408782 0.416160305179 0.197247004917} H9 24 1 1 {} {0.169815710028 0.585535980061 0.101017631015} H10 25 1 1 {} {0.10056996678 0.583452060807 0.292138062061} H11 26 1 1 {} {0.372379369106 0.560408187034 0.264262978847} H12 27 1 1 {} {0.354993440141 0.598776795653 0.415400818455} H13 28 1 1 {} {0.469373330842 0.425933453908 0.403566092227} H14 29 1 1 {} {0.445614693637 0.452302180447 0.253652081314} H15 30 1 1 {} {0.339087768231 0.372915974915 0.438094683297} H16 31 1 1 {} {0.410193455313 0.388458186393 0.516856407747} H17 32 1 1 {} {0.309607730744 0.476564309407 0.552116991509} H18 33 1 1 {} {0.356880799946 0.49112204772 0.607237594138} H19 34 1 1 {} {0.488843202975 0.567182595159 0.311440375941} H20 35 1 1 {} {0.463341780835 0.579627483032 0.407931000807} H21 36 1 6 {} {0.651812964931 0.639385684336 0.493332968684} C4 37 1 14 {} {0.612146261889 0.575248577438 0.448916966914} Si6 38 1 14 {} {0.647537641058 0.725658084424 0.447903435067} Si7 39 1 8 {} {0.604998902083 0.583789111171 0.340205112778} O5 40 1 8 {} {0.631796174253 0.500236495624 0.470503607276} O6 41 1 6 {} {0.556860739634 0.580509497421 0.504216525739} C5 42 1 6 {} {0.599416794383 0.775567340159 0.492382681935} C6 43 1 8 {} {0.643937004909 0.713831094319 0.337565649929} O7 44 1 8 {} {0.694643536409 0.768364681113 0.463146372532} O8 45 1 14 {} {0.640675849051 0.421866534121 0.442675206186} Si8 46 1 7 {} {0.594776902726 0.370233882167 0.459891220951} N4 47 1 14 {} {0.575280510599 0.321061980152 0.371353359054} Si9 48 1 14 {} {0.570135248973 0.365779041834 0.566864656649} Si10 49 1 7 {} {0.605346162328 0.385083880858 0.65369551941} N5 50 1 7 {} {0.609887975146 0.258026211311 0.3336455975} N6 51 1 1 {} {0.646753982202 0.640513964789 0.566246267315} H22 52 1 1 {} {0.686296005362 0.622244950443 0.481466699713} H23 53 1 1 {} {0.618725463146 0.623954985853 0.314834182999} H24 54 1 1 {} {0.55733024373 0.574479940706 0.576953799396} H25 55 1 1 {} {0.53761690755 0.539263148307 0.47503301438} H26 56 1 1 {} {0.539970828943 0.628069079791 0.488035162709} H27 57 1 1 {} {0.598599621508 0.826050006435 0.46329409026} H28 58 1 1 {} {0.601625767779 0.781238632609 0.565282652144} H29 59 1 1 {} {0.567158671539 0.751761907947 0.477824548847} H30 60 1 1 {} {0.650859091156 0.751498027767 0.299026451634} H31 61 1 1 {} {0.694882483691 0.802437546779 0.509537532749} H32 62 1 1 {} {0.651836407116 0.41684512376 0.345673716932} H33 63 1 1 {} {0.679656652346 0.400874985259 0.497548385601} H34 64 1 1 {} {0.533361720091 0.288945632391 0.404181396957} H35 65 1 1 {} {0.566961219023 0.363730243912 0.291610774998} H36 66 1 1 {} {0.532626771107 0.414445743221 0.574008766273} H37 67 1 1 {} {0.553497285041 0.296154090258 0.578024399418} H38 68 1 1 {} {0.611740088308 0.433841838594 0.667924453547} H39 69 1 1 {} {0.632517167257 0.356166374616 0.667030752342} H40 70 1 1 {} {0.634362011433 0.268639767184 0.288750750445} H41 71 1 1 {} {0.618987211588 0.219450887793 0.373645496087} 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