diff --git a/example/console.png b/example/console.png deleted file mode 100644 index ef55400..0000000 Binary files a/example/console.png and /dev/null differ diff --git a/example/example b/example/example deleted file mode 100644 index c936d9a..0000000 --- a/example/example +++ /dev/null @@ -1,163 +0,0 @@ -FRAGMENT -LABEL X Y Z CHARGE - Ir1 0.000 0.000 0.000 4.00000 - O2 1.980 -0.000 0.000 -2.00000 - O4 -0.000 -1.980 0.000 -2.00000 - O6 0.000 0.000 -2.057 -2.00000 - O7 0.000 0.000 2.057 -2.00000 - - -PSEUDO -LABEL X Y Z CHARGE - Ir1 3.797 -0.788 0.000 4.00000 - Ir3 -0.788 -3.797 0.000 4.00000 - Ir5 3.009 -4.586 0.000 4.00000 - Ir7 4.586 3.009 0.000 4.00000 - O9 -2.605 -3.009 0.000 -2.00000 - O11 -1.028 4.586 0.000 -2.00000 - O13 -5.614 1.577 0.000 -2.00000 - O15 4.586 1.028 0.000 -2.00000 - O17 1.577 5.614 0.000 -2.00000 - O19 -3.009 2.605 0.000 -2.00000 - O21 3.797 -0.788 2.057 -2.00000 - O23 -0.788 -3.797 2.057 -2.00000 - O25 1.504 -2.293 -4.392 -2.00000 - O27 3.797 -0.788 -2.057 -2.00000 - O29 -0.788 -3.797 -2.057 -2.00000 - O31 2.293 1.504 -4.392 -2.00000 - O33 2.293 1.504 4.392 -2.00000 - O35 1.504 -2.293 4.392 -2.00000 - Sr37 1.504 -2.293 -1.916 2.00000 - Sr39 0.000 0.000 -4.533 2.00000 - Sr40 2.293 1.504 -1.916 2.00000 - Sr42 0.000 0.000 4.533 2.00000 - Sr43 2.293 1.504 1.916 2.00000 - Sr45 1.504 -2.293 1.916 2.00000 - - -CHARGES -LABEL X Y Z CHARGE - Ir1 2.221 -8.383 0.000 2.66667 - Ir3 8.383 2.221 0.000 2.66667 - Ir5 6.090 0.716 -6.449 2.66667 - Ir7 -3.081 -5.302 -6.449 2.66667 - Ir9 5.302 -3.081 6.449 2.66667 - Ir11 0.716 -6.090 6.449 2.66667 - Ir13 6.090 0.716 6.449 2.66667 - Ir15 -3.081 -5.302 6.449 2.66667 - Ir17 5.302 -3.081 -6.449 2.66667 - Ir19 0.716 -6.090 -6.449 2.66667 - Ir21 6.806 -5.374 0.000 3.33333 - Ir23 -5.374 -6.806 0.000 3.33333 - Ir25 1.504 -2.293 -6.449 4.00000 - Ir27 2.293 1.504 6.449 4.00000 - Ir29 7.595 -1.577 0.000 4.00000 - Ir31 -1.577 -7.595 0.000 4.00000 - Ir33 1.504 -2.293 6.449 4.00000 - Ir35 2.293 1.504 -6.449 4.00000 - O37 2.293 -0.476 6.449 -2.00000 - O39 -1.504 0.312 -6.449 -2.00000 - O41 0.312 1.504 6.449 -2.00000 - O43 -0.476 -2.293 -6.449 -2.00000 - O45 4.989 -4.586 0.000 -2.00000 - O47 6.566 3.009 0.000 -2.00000 - O49 3.009 -6.566 0.000 -2.00000 - O51 -4.586 -4.989 0.000 -2.00000 - O53 6.090 0.716 -4.392 -2.00000 - O55 -3.081 -5.302 -4.392 -2.00000 - O57 3.009 -4.586 -2.057 -2.00000 - O59 4.586 3.009 -2.057 -2.00000 - O61 5.302 -3.081 -4.392 -2.00000 - O63 0.716 -6.090 -4.392 -2.00000 - O65 3.009 -4.586 2.057 -2.00000 - O67 4.586 3.009 2.057 -2.00000 - O69 5.302 -3.081 4.392 -2.00000 - O71 0.716 -6.090 4.392 -2.00000 - O73 6.090 0.716 4.392 -2.00000 - O75 -3.081 -5.302 4.392 -2.00000 - O77 -2.293 -3.485 6.449 -1.66667 - O79 -0.716 4.110 6.449 -1.66667 - O81 -5.302 1.101 6.449 -1.66667 - O83 6.090 -1.264 -6.449 -1.66667 - O85 1.504 -4.273 -6.449 -1.66667 - O87 3.081 3.321 -6.449 -1.66667 - O89 3.321 -3.081 6.449 -1.66667 - O91 -1.264 -6.090 6.449 -1.66667 - O93 -4.273 -1.504 6.449 -1.66667 - O95 4.110 0.716 -6.449 -1.66667 - O97 1.101 5.302 -6.449 -1.66667 - O99 -3.485 2.293 -6.449 -1.66667 - O101 0.404 -7.595 0.000 -1.33333 - O103 3.557 7.595 0.000 -1.33333 - O105 7.595 -3.557 0.000 -1.33333 - O107 -7.595 -0.404 0.000 -1.33333 - O109 6.806 -5.374 2.057 -1.33333 - O111 2.221 -8.383 2.057 -1.33333 - O113 8.383 2.221 2.057 -1.33333 - O115 -5.374 -6.806 2.057 -1.33333 - O117 4.513 -6.878 -4.392 -1.33333 - O119 2.293 1.504 8.507 -1.33333 - O121 7.595 -1.577 -2.057 -1.33333 - O123 -1.577 -7.595 -2.057 -1.33333 - O125 6.806 -5.374 -2.057 -1.33333 - O127 2.221 -8.383 -2.057 -1.33333 - O129 8.383 2.221 -2.057 -1.33333 - O131 -5.374 -6.806 -2.057 -1.33333 - O133 1.504 -2.293 8.507 -1.33333 - O135 6.878 4.513 -4.392 -1.33333 - O137 7.595 -1.577 2.057 -1.33333 - O139 -1.577 -7.595 2.057 -1.33333 - O141 6.878 4.513 4.392 -1.33333 - O143 1.504 -2.293 -8.507 -1.33333 - O145 2.293 1.504 -8.507 -1.33333 - O147 4.513 -6.878 4.392 -1.33333 - O149 5.302 -5.062 6.449 -1.00000 - O151 6.878 2.533 6.449 -1.00000 - O153 -6.090 -2.697 -6.449 -1.00000 - O155 -4.513 4.898 -6.449 -1.00000 - O157 4.898 4.513 6.449 -1.00000 - O159 -2.697 6.090 6.449 -1.00000 - O161 2.533 -6.878 -6.449 -1.00000 - O163 -5.062 -5.302 -6.449 -1.00000 - O165 -7.191 -6.018 0.000 -1.00000 - O167 -6.018 7.191 0.000 -1.00000 - O169 9.575 -1.577 0.000 -0.33333 - O171 -1.577 -9.575 0.000 -0.33333 - Sr173 6.806 -5.374 4.533 0.88889 - Sr175 2.221 -8.383 4.533 0.88889 - Sr177 8.383 2.221 4.533 0.88889 - Sr179 -5.374 -6.806 4.533 0.88889 - Sr181 7.595 -1.577 -4.533 0.88889 - Sr183 -1.577 -7.595 -4.533 0.88889 - Sr185 6.806 -5.374 -4.533 0.88889 - Sr187 2.221 -8.383 -4.533 0.88889 - Sr189 8.383 2.221 -4.533 0.88889 - Sr191 -5.374 -6.806 -4.533 0.88889 - Sr193 7.595 -1.577 4.533 0.88889 - Sr195 -1.577 -7.595 4.533 0.88889 - Sr197 3.797 -0.788 8.365 1.33333 - Sr199 -0.788 -3.797 8.365 1.33333 - Sr201 3.797 -0.788 -8.365 1.33333 - Sr203 -0.788 -3.797 -8.365 1.33333 - Sr205 4.513 -6.878 -1.916 1.55556 - Sr207 6.878 4.513 -1.916 1.55556 - Sr209 6.878 4.513 1.916 1.55556 - Sr211 4.513 -6.878 1.916 1.55556 - Sr213 0.000 0.000 -8.365 1.77778 - Sr214 0.000 0.000 8.365 1.77778 - Sr215 3.797 -0.788 4.533 2.00000 - Sr217 -0.788 -3.797 4.533 2.00000 - Sr219 6.090 0.716 -1.916 2.00000 - Sr221 -3.081 -5.302 -1.916 2.00000 - Sr223 3.009 -4.586 -4.533 2.00000 - Sr225 4.586 3.009 -4.533 2.00000 - Sr227 3.797 -0.788 -4.533 2.00000 - Sr229 -0.788 -3.797 -4.533 2.00000 - Sr231 5.302 -3.081 -1.916 2.00000 - Sr233 0.716 -6.090 -1.916 2.00000 - Sr235 3.009 -4.586 4.533 2.00000 - Sr237 4.586 3.009 4.533 2.00000 - Sr239 5.302 -3.081 1.916 2.00000 - Sr241 0.716 -6.090 1.916 2.00000 - Sr243 6.090 0.716 1.916 2.00000 - Sr245 -3.081 -5.302 1.916 2.00000