endpoint 1                              
   1.00000000000000     
     8.1812518933929290   -0.0001622711692203   -0.1119711403342525
    -0.0001406435263652    8.1352084486449385    0.0001473971921687
    -0.1119715260800530    0.0001839519179260    8.1809562683944588
    Al Cu Mg
    2 2 1
Direct
  0 0 0
  0 0.5 0.5
  0.5 0 0.5
  0.5 0.5 0
  0.75 0 0
