#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 {} {0.218673516573 0.526270448987 0.331772944077} C1 1 1 14 {} {0.27247703365 0.4891781341 0.289850708432} Si1 2 1 14 {} {0.172007665125 0.534770498886 0.250924307982} Si2 3 1 8 {} {0.285132342787 0.521875050114 0.19181117183} O1 4 1 8 {} {0.312159013793 0.510115242533 0.36112972174} O2 5 1 6 {} {0.270684999555 0.395978473687 0.283209708591} C2 6 1 6 {} {0.140501821927 0.455036475112 0.233129405159} C3 7 1 8 {} {0.196443121471 0.560935541699 0.15667902409} O3 8 1 8 {} {0.136586303434 0.595672337785 0.278208639897} O4 9 1 14 {} {0.363716823177 0.538502536375 0.365735788297} Si3 10 1 7 {} {0.397708374606 0.474444709279 0.406877306409} N1 11 1 14 {} {0.450697151229 0.472860485963 0.36070121212} Si4 12 1 14 {} {0.378046262877 0.420798207601 0.491212472066} Si5 13 1 7 {} {0.349136551395 0.458923499186 0.576593966841} N2 14 1 7 {} {0.466295148108 0.556441414796 0.3585564427} N3 15 1 1 {} {0.207102383086 0.49765685526 0.390267968994} H1 16 1 1 {} {0.226626244268 0.577065485536 0.355924868955} H2 17 1 1 {} {0.259730478729 0.542431962067 0.161320459937} H3 18 1 1 {} {0.26549523619 0.372922395894 0.348976113927} H4 19 1 1 {} {0.30239804519 0.376952888604 0.256412522418} H5 20 1 1 {} {0.243908016476 0.379000138501 0.238416620473} H6 21 1 1 {} {0.113966187163 0.46124421569 0.183079828402} H7 22 1 1 {} {0.12493984354 0.437368110583 0.295355340826} H8 23 1 1 {} {0.162858842747 0.415125497484 0.209587487351} H9 24 1 1 {} {0.177915830223 0.583729544246 0.113418370984} H10 25 1 1 {} {0.108249358819 0.583183569237 0.304118554083} H11 26 1 1 {} {0.380140852881 0.558275155011 0.275925019177} H12 27 1 1 {} {0.363109706942 0.597312503355 0.427362049205} H13 28 1 1 {} {0.477220724467 0.424633682627 0.41710033594} H14 29 1 1 {} {0.454326320898 0.451625584821 0.26571676882} H15 30 1 1 {} {0.346653884732 0.371395446278 0.450675370356} H16 31 1 1 {} {0.417986103011 0.387013444355 0.529777563478} H17 32 1 1 {} {0.317575467543 0.47570114952 0.565100561792} H18 33 1 1 {} {0.365186628874 0.489659151704 0.620149446843} H19 34 1 1 {} {0.495094802742 0.56644191983 0.322819957847} H20 35 1 1 {} {0.468187635585 0.578152180075 0.420013606262} H21 36 1 6 {} {0.644198853492 0.640715390377 0.480836283789} C4 37 1 14 {} {0.604821741234 0.576961473535 0.436315232096} Si6 38 1 14 {} {0.639562172222 0.726854436699 0.435596060545} Si7 39 1 8 {} {0.598446264578 0.584810564244 0.326791823439} O5 40 1 8 {} {0.622943706373 0.500922980369 0.457009443277} O6 41 1 6 {} {0.550048649297 0.583206444278 0.49221696028} C5 42 1 6 {} {0.591588861651 0.776615425321 0.480670988809} C6 43 1 8 {} {0.634836556087 0.715446966464 0.325330871076} O7 44 1 8 {} {0.686947016935 0.768467621219 0.451088710669} O8 45 1 14 {} {0.632524156018 0.42281579242 0.429555930511} Si8 46 1 7 {} {0.586969681835 0.370873214959 0.44731218773} N4 47 1 14 {} {0.567537846471 0.321593170722 0.359013160159} Si9 48 1 14 {} {0.562333182759 0.367600485402 0.554111028193} Si10 49 1 7 {} {0.597870035903 0.386315383754 0.640436255417} N5 50 1 7 {} {0.602283393575 0.258791960917 0.321119919184} N6 51 1 1 {} {0.637998568174 0.641147179625 0.55333369745} H22 52 1 1 {} {0.67840457338 0.622448220917 0.468986128193} H23 53 1 1 {} {0.611292872256 0.625846067633 0.301856191661} H24 54 1 1 {} {0.549851525027 0.575975608335 0.565119418672} H25 55 1 1 {} {0.532934521761 0.540264302527 0.461377789082} H26 56 1 1 {} {0.532754950403 0.629636123328 0.475187536853} H27 57 1 1 {} {0.590850989664 0.82705102602 0.451213626693} H28 58 1 1 {} {0.593629099363 0.782282570897 0.553599191828} H29 59 1 1 {} {0.559460761664 0.752632786858 0.465500502048} H30 60 1 1 {} {0.642800323276 0.75280028815 0.28719337669} H31 61 1 1 {} {0.687134173046 0.803103270206 0.49633041517} H32 62 1 1 {} {0.643850865956 0.418069448833 0.332382809279} H33 63 1 1 {} {0.671709369228 0.402675143423 0.48427110188} H34 64 1 1 {} {0.525704423551 0.289703638982 0.391887972167} H35 65 1 1 {} {0.559281761935 0.364715285586 0.27932813488} H36 66 1 1 {} {0.525339020663 0.416948801877 0.561476192373} H37 67 1 1 {} {0.545134836373 0.298046036178 0.565718722197} H38 68 1 1 {} {0.604008485596 0.434988106455 0.656010128536} H39 69 1 1 {} {0.624774476634 0.357190070435 0.654236666592} H40 70 1 1 {} {0.626996838486 0.270016782039 0.277190267436} H41 71 1 1 {} {0.611914569256 0.221076940547 0.362291740374} 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