########################################################################
# this file is part of the FPLO bandstructure package
# it was created automatically
# please dont edit it, unless you really know what you are doing
#
########################################################################

section header{

  struct {char[*] application;char[*] description;} filetype
  ={"xstr","FPLO-Graphics"};

  struct {char[*] mainversion;char[*] subversion;} version={"18.00","M-CPA"};


  struct {char[*] hostname;char[*] date;char[*] by;} last_changes
    ={"unas","Fri Jan 19 07:11:26 2018","wxf (18.00-52)"};
};


section symmetry{

    struct {char[*] number;char[*] setting;char[*] symbol;}spacegroup
    ={"225","default","225"};

    struct {int type;char[*] description;} lengthunit
    ={1,"Bohr radii"};

    real lattice_constants[3]
    ={10.8,10.8,10.8};

    real axis_angles[3]
    ={90,90,90};

    struct{logical active;
           real newx[3];real newy[3]; real newz[3];
    }cellrotation
    ={f,{1,0,0}
        ,{0,1,0}
        ,{0,0,1}};

    struct {int type;char[*] description;} structure_type
    ={1,"Crystal   "};

    int subgroupgenerators[*]
    ={};
    struct {char[2] element;int type;real tau[3];
          struct {char[*] atomcolor;char[*] specularcolor;
                  real shininess;real rcovalent;real rionic;
                  real rvdw;real rmetallic;real rcrystal;
                  int rcurrenttype;}properties;
          logical visible;       } wyckoff_positions[*]
    ={
     {"Fe",26,{-1/4,-1/4,1/4},{"e06633","ffffff",50,1.25,0.65,0,1.26,0.69,0},t},
     {"Fe",26,{0,0,0},{"e06633","ffffff",50,1.25,0.65,0,1.26,0.69,0},t},
     {"Co",27,{0,0,-1/2},{"f090a0","ffffff",50,1.26,0.75,0,1.25,0.54,0},t}
    };

};


    struct {real up[3];real z[3];real focus[3];real radius;
            real scale;real theta;logical perspective;}view
    ={{-0.254888849223454            ,-0.0983822649033134           ,0.961952495965387             },
      {0.899871328130316             ,0.339981923559915             ,0.273210330078278             },
      {5.4                           ,5.4                           ,5.4                           },
      11.6913429510899              ,1                             ,10                            ,f    };

    struct{ logical locked; struct{int width;int height;}size;}canvas
    ={f,{841,672}};

struct{logical usefog;real density;real near;real far;
          char[*] color;int mode;}fog
={f,0.04,0.25,1.3,"ffffffff",3};
# for downward compatibility only we write the old boundary stuff
struct{ 
      struct {int type;char[*] description;} cell_type;
      struct {int type;char[*] description;} cell_basis_type;
      struct {int type;char[*] description;} cell_centering;
      struct {real shift[3];
              struct {int type;char[*] description;} basis;
      }origin;
      struct {
              struct {real V1[3];real V2[3];real V3[3];}vectors;
              struct {real d0;real d1;}distances[3];
      }box;
      struct {real P[3];real dist;}faces[*];
}boundary={
       {0,"Cell/Box"},
       {1,"Conventional basis vectors"},
       {0,"None"},
       {{0,0,0},{1,"Conventional basis vectors"}},
       {{{1,0,0},
       {0,1,0},
       {0,0,1}},
       { {0,1},{0,1},{0,1} }
       },
       {
       {{-1,0,0},0},
       {{1,0,0},1},
       {{0,-1,0},0},
       {{0,1,0},1},
       {{0,0,-1},0},
       {{0,0,1},1}}
};

struct{
       struct{
              char[*] name;
              struct  {int type;char[*] description;} celltype;
              struct{ 
                    struct {int type;char[*] description;} cell_type;
                    struct {int type;char[*] description;} cell_basis_type;
                    struct {int type;char[*] description;} cell_centering;
                    struct {real shift[3];
                            struct {int type;char[*] description;} basis;
                    }origin;
                    struct {
                            struct {real V1[3];real V2[3];real V3[3];}vectors;
                            struct {real d0;real d1;}distances[3];
                    }box;
                    struct {real P[3];real dist;}faces[*];
              }boundary;
       struct{logical visible;logical drawfaces;char[*] facecolor;
              char [*] facespecular;real faceshininess;
              logical drawrim;char[*] rimcolor;real rimradius;
              struct  {int type;char[*] description;} rimradiusunit;
       }PolyhedronProperties;
       }displayCell[*];}displayCells={{
       {"Main Boundary",{1,"Main Boundary"},
              {
                     {0,"Cell/Box"},
                     {1,"Conventional basis vectors"},
                     {0,"None"},
                     {{0,0,0},{1,"Conventional basis vectors"}},
                     {{{1,0,0},
                     {0,1,0},
                     {0,0,1}},
                     { {0,1},{0,1},{0,1} }
                     },
                     {
                     {{-1,0,0},0},
                     {{1,0,0},1},
                     {{0,-1,0},0},
                     {{0,1,0},1},
                     {{0,0,-1},0},
                     {{0,0,1},1}}
              },
              {t,f,"4c00ffff","ffffff",50,t,"0",0.01,{0,"Relative to boundary"}}
       },
       {"Conventional",{2,"Conventional"},
              {
                     {0,"Cell/Box"},
                     {1,"Conventional basis vectors"},
                     {0,"None"},
                     {{0,0,0},{1,"Conventional basis vectors"}},
                     {{{1,0,0},
                     {0,1,0},
                     {0,0,1}},
                     { {0,1},{0,1},{0,1} }
                     },
                     {
                     {{-1,0,0},0},
                     {{1,0,0},1},
                     {{0,-1,0},0},
                     {{0,1,0},1},
                     {{0,0,-1},0},
                     {{0,0,1},1}}
              },
              {f,f,"4c00ffff","ffffff",50,t,"ff7f00",0.015,{0,"Relative to boundary"}}
       },
       {"Primitive",{3,"Primitive"},
              {
                     {0,"Cell/Box"},
                     {0,"Primitive basis vectors"},
                     {0,"None"},
                     {{0,0,0},{1,"Conventional basis vectors"}},
                     {{{1,0,0},
                     {0,1,0},
                     {0,0,1}},
                     { {0,1},{0,1},{0,1} }
                     },
                     {
                     {{-1,0,0},0},
                     {{1,0,0},1},
                     {{0,-1,0},0},
                     {{0,1,0},1},
                     {{0,0,-1},0},
                     {{0,0,1},1}}
              },
              {f,f,"4c00ffff","ffffff",50,t,"c00ff",0.015,{0,"Relative to boundary"}}
       }}};


struct{
       real ballscale;real stickballratio;
       struct{
              struct{
                     logical active;
                     char[*] name;
                     char[*] bondcolor;
                     logical bondisvisible;
                     real bintol;
                     struct{int type;char[*] description;}toplevelgrouping;
                     struct{
                            int sorta;
                            int sortb;
                            real pabsmin;
                            real pabsmax;
                     }BondDef[*];
                     struct{
                            int cutoffmode;
                            struct{logical visible;logical drawfaces;char[*] facecolor;
                                   char [*] facespecular;real faceshininess;
                                   logical drawrim;char[*] rimcolor;real rimradius;
                                   struct  {int type;char[*] description;} rimradiusunit;
                            }PolyhedronProperties;
                     }BondDefSortProperties[*];
              }BondDefGroup[*];
       }BondDefGroups;}bondDefs={
       1.0,0.2,
       {
         {
              {t,"Bond group 1","9f9f9f",t,0.1,{0,"Element"},{
                     {0,0,                             0,              5.03826859021799}
              },
              {
                     {0,
                       {f,t,"aa9f9f9f","323232",50,t,"aa9f9f9f",0.03,{2,"Angstroem"}}
                     }
              }}
         }
       }
};


  struct { 
       struct  {int type;char[*] description;} axes_type; 
       logical visible;
       char[*] color[3]; 
       struct{real radius;
         struct  {int type;char[*] description;} radius_unit; 
       }rod;
       struct{logical visible;real radius;
         struct  {int type;char[*] description;} radius_unit; 
         real length;
         struct  {int type;char[*] description;} length_unit; 
       }tip;
       struct {real length[3];
         struct  {int type;char[*] description;} length_unit; 
       } axislength;
       struct {real origin[3];
         struct  {int type;char[*] description;} origin_unit; 
       } axisorigin;
       struct{char[*]label;real shift[3];}axislabels[3];
       real fontscale;char[*] fontcolor;
       } axessystems[*]
       ={
       {
         {0,"Cartesian"},
         f,{"0","ff0000","ff00"},{0.01,{0,"Relative to boundary"}},
         {t,2,{4,"times rod radius"},2.5,{5,"time tip radius"}},
         {{0.55,0.55,0.55},{0,"Relative to boundary"}},
         {{0,0,0},{1,"Current world units"}},
         {{"x",{-0.25,-0.5,1.5}},{"y",{-0.25,-0.5,1.5}},{"z",{-0.25,-0.5,1.5}}},0.1,"0"
       },
       {
         {1,"Conventional"},
         f,{"0","ff0000","ff00"},{0.01,{0,"Relative to boundary"}},
         {t,2,{4,"times rod radius"},2.5,{5,"time tip radius"}},
         {{1,1,1},{1,"Current world units"}},
         {{0,0,0},{6,"Conventional cell"}},
         {{"a",{-0.25,-0.5,1.5}},{"b",{-0.25,-0.5,1.5}},{"c",{-0.25,-0.5,1.5}}},0.1,"0"
       },
       {
         {2,"Primitive"},
         f,{"0","ff0000","ff00"},{0.01,{0,"Relative to boundary"}},
         {t,2,{4,"times rod radius"},2.5,{5,"time tip radius"}},
         {{1,1,1},{1,"Current world units"}},
         {{0,0,0},{7,"Primitive cell"}},
         {{"a",{-0.25,-0.5,1.5}},{"b",{-0.25,-0.5,1.5}},{"c",{-0.25,-0.5,1.5}}},0.1,"0"
       },
       {
         {4,"Frame Cartesian"},
         f,{"0","ff0000","ff00"},{0.02,{0,"Relative to boundary"}},
         {t,0.1,{4,"times rod radius"},0.3,{5,"time tip radius"}},
         {{0.55,0.55,0.55},{0,"Relative to boundary"}},
         {{0.86,0.14,0.09},{1,"Current world units"}},
         {{"x",{-0.25,-0,-0}},{"y",{-0.25,-0,-0}},{"z",{-0.25,-0,-0}}},0.1,"0"
       },
       {
         {5,"Frame Conventional"},
         t,{"0","ff0000","ff00"},{0.02,{0,"Relative to boundary"}},
         {t,0.1,{4,"times rod radius"},0.3,{5,"time tip radius"}},
         {{1,1,1},{1,"Current world units"}},
         {{0.14,0.14,0.09},{6,"Conventional cell"}},
         {{"a",{-0.25,-0,-0}},{"b",{-0.25,-0,-0}},{"c",{-0.25,-0,-0}}},0.1,"0"
       },
       {
         {6,"Frame Primitive"},
         f,{"0","ff0000","ff00"},{0.02,{0,"Relative to boundary"}},
         {t,0.1,{4,"times rod radius"},0.3,{5,"time tip radius"}},
         {{1,1,1},{1,"Current world units"}},
         {{0.14,0.14,0.09},{7,"Primitive cell"}},
         {{"a",{-0.25,-0,-0}},{"b",{-0.25,-0,-0}},{"c",{-0.25,-0,-0}}},0.1,"0"
       } 
       };

section Lights{

    struct {char[*] background;char[*] globalambient;
            real globalambientfactor;
            struct {struct  {int type;char[*] description;} type;
                    char[*] name;logical active;
                    char[*] diffuse;char[*] ambient;
                    char [*] specular; real position[4];
                    real spotdirection[3];real spotexponent;
                    real spotcutoff;real constantattenuation;
                    real linearattenuation;real quadraticattenuation;
            }lights[*];
    }lights
    ={"ffffffff","ffffffff",0.25,{
      {{0,"directional"},"side_dif_spec",t,"ff4c4c4c","ff000000","ffffffff",{1,1,0,1},{0,0,-1},0,180,1,0,0},
      {{0,"directional"},"front_dif",t,"ffb2b2b2","ff000000","ff000000",{0,0,1,1},{0,0,-1},0,180,1,0,0}
    }};
};


section Labels{

    struct{logical visible;char [*]textcolor;logical usecommonproperties;
           logical relativesize;char[*] x;char[*] y;char[*] depth;
           char [*] fontsize;
           struct{int type;char[*] descrition;} type;
           struct{int index;char[*] name;logical visible;
              char[*] fontsize;char[*] fontcolor;
              char[*] x;char[*] y;char[*] depth;
           }labels[*];
    }labels={
      f,"0",t,t,"0","0","1.1","0.6",{0,"Elements"},
      {
      }
    };

};


section DataSets{

    struct{
      char[*] filename;char[*] name;logical active;
      int interpolationlevel;
      struct{real vector[3];
            struct{int type;char[*] description;}basis;
      }translation;
      logical gridvisible;logical gridconnectionsvisible;
      logical boundingboxvisible;
      struct{logical visible;logical negativevisible;
         int component;int function;int coloring;int spinaxes;
         struct{real x[3];real z[3];}userspinaxes;real isovalue;
                logical connectionsvisible;logical normalsvisible;
         struct{real parameter;real hue;real sat;real val;}colormap[*];
         logical interpolatergb;
         struct{logical usedefault;real min;real max;}colorscalarmap;
         struct{struct{char[*]type;char[*] name;logical active;
           real vector[3];real scalar;logical cutouter;
           struct{int type;char[*] description;}operation;
         }clippergroup[*];}clip;
      }isosurface;
    }datasets[*]
    ={
    };
};


