LCPQ/Crystal-MET
3
0
Fork 0
mirror of https://github.com/NehZio/Crystal-MEC synced 2024-09-27 03:51:07 +02:00
Code Issues Releases Wiki Activity

remove file

Browse Source
This commit is contained in:
Léo Gaspard 2019-05-27 14:32:44 +02:00
parent 571abf66c1
commit 88e12e24c9
2 changed files with 0 additions and 163 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

BIN
example/console.png
View File

Binary file not shown.
Side by Side

Before

Width:  |  Height:  |  Size: 88 KiB

163
example/example
View File

@ -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