element(s):
['Au', 'Cu']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.047']
model name:
EAM_Dynamo_GolaPastewka_2018_CuAu__MO_426403318662_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Au', 'Cu']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[4.047, 0, 0], [0, 4.047, 0], [0, 0, 4.047]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:35:38      -15.359735         1.013800
BFGS:    1 11:35:38      -15.402430         0.948965
BFGS:    2 11:35:38      -15.519746         0.559669
BFGS:    3 11:35:38      -15.552680         0.155598
BFGS:    4 11:35:38      -15.554917         0.017150
BFGS:    5 11:35:38      -15.554945         0.000374
BFGS:    6 11:35:38      -15.554945         0.000001
BFGS:    7 11:35:38      -15.554945         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.4816839485932994e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Au', 'Au', 'Cu']
basis =  [[3.47230335e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.9410598530665886, 3.789176286488226e-32, 2.108828810403011e-32], [2.1925699684127296e-32, 3.9410598530665886, 3.070571998699151e-18], [1.3947027569454013e-32, 3.0705719986991725e-18, 3.9410598530665886]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.48168395e-12  3.48168395e-12  3.48168395e-12  3.23212961e-28
  1.32264455e-34 -1.35803286e-51]
energy per atom =  -3.888737493092841
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0