element(s):
['Al', 'Cu']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6765']
model name:
Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Cu']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.6765, 0, 0], [0, 3.6765, 0], [0, 0, 3.6765]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:58:33      -14.123053        1.1455
BFGS:    1 13:58:33      -14.179899        1.1701
BFGS:    2 13:58:34      -14.358786        1.1936
BFGS:    3 13:58:34      -14.524930        0.9547
BFGS:    4 13:58:34      -14.621794        0.2665
BFGS:    5 13:58:34      -14.627293        0.0792
BFGS:    6 13:58:34      -14.627814        0.0008
BFGS:    7 13:58:34      -14.627814        0.0000
BFGS:    8 13:58:34      -14.627814        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.419226288357908e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Cu', 'Cu', 'Cu']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 1.0974485e-34]]
cellpar =  Cell([[3.5098320069266733, 3.4855437803299795e-33, 7.467488052136885e-33], [7.887118358756319e-33, 3.5098320069266733, -6.219171728838565e-18], [-7.985424641880075e-33, -6.219171728838559e-18, 3.5098320069266733]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.41922629e-13  2.41922629e-13  2.41922629e-13 -3.17708107e-30
  8.33808952e-35 -1.84723387e-51]
energy per atom =  -3.6569335052836998
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0