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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 12:39:26      -62.363437        18.069522
BFGS:    1 12:39:27      -65.029331        17.403822
BFGS:    2 12:39:27      -67.561383        16.287302
BFGS:    3 12:39:27      -69.879114        14.495943
BFGS:    4 12:39:27      -71.869385        11.887386
BFGS:    5 12:39:27      -73.396985         8.334332
BFGS:    6 12:39:27      -74.293094         3.438373
BFGS:    7 12:39:28      -74.427264         1.042334
BFGS:    8 12:39:28      -74.438921         0.082220
BFGS:    9 12:39:28      -74.438996         0.001764
BFGS:   10 12:39:28      -74.438996         0.000003
BFGS:   11 12:39:28      -74.438996         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.240212133296144e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Au', 'Au', 'Cu']
basis =  [[1.47320201e-48 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([[3.7155950707061813, 3.07432628627336e-32, -1.4268098074148448e-33], [-7.700210372514765e-32, 3.7155950707061813, 1.6796220821468852e-17], [2.5961885176161056e-32, 1.6796220821468834e-17, 3.7155950707061813]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 8.24021213e-12  8.24021213e-12  8.24021213e-12  1.48266432e-27
  3.87501369e-59 -5.03984009e-60]
energy per atom =  -18.60974908916246
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0