#MD System 2.0 @Title neb0_image03 @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 {} {0.207804732074 0.528232242838 0.314025530907} C1 1 1 14 {} {0.261622286818 0.491084465009 0.272229590111} Si1 2 1 14 {} {0.161122663527 0.536663979515 0.233054592006} Si2 3 1 8 {} {0.274102117257 0.523638581427 0.174053310517} O1 4 1 8 {} {0.301766077347 0.511525851181 0.342978702869} O2 5 1 6 {} {0.259628087064 0.39794757461 0.265481760585} C2 6 1 6 {} {0.129479166369 0.457042936304 0.215308915353} C3 7 1 8 {} {0.185591603748 0.562569857177 0.138794998076} O3 8 1 8 {} {0.125845449982 0.597749573836 0.260437638836} O4 9 1 14 {} {0.353145566637 0.540568956354 0.348585242189} Si3 10 1 7 {} {0.387850942624 0.477566954782 0.390124555666} N1 11 1 14 {} {0.442056394338 0.475714913208 0.348357656346} Si4 12 1 14 {} {0.367491559503 0.423250312064 0.472856920861} Si5 13 1 7 {} {0.338277790689 0.461001321989 0.558297966942} N2 14 1 7 {} {0.463511726596 0.555752027584 0.353777879393} N3 15 1 1 {} {0.196148415554 0.499663885683 0.372497302036} H1 16 1 1 {} {0.215674546788 0.579096886824 0.338020627953} H2 17 1 1 {} {0.248752013473 0.544461083655 0.143528820616} H3 18 1 1 {} {0.254440262001 0.37482485908 0.331195734924} H4 19 1 1 {} {0.291326665243 0.378874407675 0.238711406669} H5 20 1 1 {} {0.232854339908 0.381014582152 0.220671623724} H6 21 1 1 {} {0.102976525536 0.463366301582 0.165229171286} H7 22 1 1 {} {0.113885557438 0.439414353647 0.277510584546} H8 23 1 1 {} {0.151813687085 0.41712495847 0.191752846969} H9 24 1 1 {} {0.167002634319 0.585693864179 0.0957680367681} H10 25 1 1 {} {0.0973990934854 0.585331768379 0.286183722887} H11 26 1 1 {} {0.369593751186 0.560604080371 0.258839998825} H12 27 1 1 {} {0.351978037644 0.599308003634 0.409625826458} H13 28 1 1 {} {0.466292688425 0.423662540132 0.401290564999} H14 29 1 1 {} {0.44424511072 0.458068070326 0.25184115612} H15 30 1 1 {} {0.336065792553 0.374166895378 0.432425900962} H16 31 1 1 {} {0.406986763575 0.389004318945 0.511928982246} H17 32 1 1 {} {0.306678785285 0.477530870037 0.547097340421} H18 33 1 1 {} {0.354223864153 0.491613411803 0.602072624187} H19 34 1 1 {} {0.48711713987 0.570244182468 0.309028683289} H20 35 1 1 {} {0.469031753482 0.57796400163 0.413790149916} H21 36 1 6 {} {0.652678976207 0.63781301831 0.498509836418} C4 37 1 14 {} {0.613260798098 0.573924901471 0.451054699742} Si6 38 1 14 {} {0.650229517148 0.724378418572 0.453632018549} Si7 39 1 8 {} {0.610213769148 0.582282570658 0.341336309171} O5 40 1 8 {} {0.633046194239 0.499262310346 0.474975541887} O6 41 1 6 {} {0.556410378456 0.579987181034 0.501056381314} C5 42 1 6 {} {0.602555566493 0.774781094557 0.498370559205} C6 43 1 8 {} {0.64629345081 0.713365996348 0.343094998747} O7 44 1 8 {} {0.697749043594 0.765842695727 0.469386546069} O8 45 1 14 {} {0.643335607198 0.421261677232 0.447350923125} Si8 46 1 7 {} {0.597966956837 0.368968298687 0.46518365444} N4 47 1 14 {} {0.578388410222 0.319817947352 0.376841064544} Si9 48 1 14 {} {0.573229098934 0.365590868574 0.571692859315} Si10 49 1 7 {} {0.608306809076 0.384368975329 0.65805993506} N5 50 1 7 {} {0.613256047583 0.256924235329 0.339016032093} N6 51 1 1 {} {0.648434370567 0.639177629831 0.571559230958} H22 52 1 1 {} {0.686770633516 0.619208256741 0.486038801908} H23 53 1 1 {} {0.622904448351 0.624294710305 0.319109582487} H24 54 1 1 {} {0.55633467897 0.570415532066 0.573281743337} H25 55 1 1 {} {0.53492559204 0.542377191784 0.469221401588} H26 56 1 1 {} {0.541648298361 0.629583142413 0.489342521144} H27 57 1 1 {} {0.601746657102 0.825206661128 0.468955009875} H28 58 1 1 {} {0.604589686383 0.780343457412 0.571338299574} H29 59 1 1 {} {0.570454103786 0.750657244644 0.483303370297} H30 60 1 1 {} {0.653891917052 0.750918136383 0.305063375432} H31 61 1 1 {} {0.698046796739 0.800849387867 0.514055076064} H32 62 1 1 {} {0.654775664379 0.41616594112 0.350406236215} H33 63 1 1 {} {0.682531966156 0.400870560932 0.502037269928} H34 64 1 1 {} {0.536573573842 0.287991622096 0.40961898501} H35 65 1 1 {} {0.570168962308 0.362717592575 0.29720544233} H36 66 1 1 {} {0.535909542202 0.41482767587 0.578345902187} H37 67 1 1 {} {0.556169420486 0.29591590134 0.58354632891} H38 68 1 1 {} {0.614972961086 0.433200598787 0.673552146773} H39 69 1 1 {} {0.635628603836 0.35529843153 0.671964068443} H40 70 1 1 {} {0.637789833678 0.268160771748 0.294855684236} H41 71 1 1 {} {0.622705958623 0.219209358997 0.380069890029} 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