element(s):
['Al', 'Cu']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8417']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Cu', 'Cu']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.8417, 0, 0], [0, 5.8417, 0], [0, 0, 5.8417]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:54:09     -270.318747         8.083193
BFGS:    1 15:54:09     -271.468999         7.243159
BFGS:    2 15:54:09     -272.488503         6.339269
BFGS:    3 15:54:10     -273.367400         5.367776
BFGS:    4 15:54:10     -274.095258         4.324721
BFGS:    5 15:54:10     -274.661030         3.205918
BFGS:    6 15:54:10     -275.054351         2.031521
BFGS:    7 15:54:10     -275.263925         0.748258
BFGS:    8 15:54:10     -275.295076         0.041105
BFGS:    9 15:54:10     -275.295168         0.000769
BFGS:   10 15:54:10     -275.295168         0.000001
BFGS:   11 15:54:10     -275.295168         0.000000
Minimization converged after 11 steps.
Maximum force component: 6.678967008549986e-30 eV/Angstrom
Maximum stress component: 1.2196323589248536e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.79838899e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.75313214e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.39919449e-49 1.49949656e-50]
 [4.79838899e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 6.75313214e-35 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.703812404071027, 2.138386640506492e-32, -3.2598343242439878e-34], [1.9420605112230763e-32, 5.703812404071027, 4.424659758468206e-18], [5.278208866379668e-34, 4.42465975846821e-18, 5.703812404071027]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.82792781e-30 -4.73386434e-30 -3.49181082e-30]
 [-7.49919103e-31  6.65553204e-30  6.56179215e-31]
 [-1.75176415e-30 -5.24943372e-30 -8.43658991e-31]
 [-8.90528934e-31  6.67896701e-30 -6.56179215e-31]
 [-4.21829495e-31 -5.53065338e-30 -1.68731798e-30]
 [-2.09742999e-30  5.13225886e-30  1.42953329e-30]
 [-2.32006222e-30  4.56981953e-30 -1.64044804e-30]
 [-2.08717719e-31 -5.62439327e-30 -8.34138533e-31]]
stress =  [-1.21963236e-12 -1.21963236e-12 -1.21963236e-12 -1.45431855e-32
 -1.01031948e-33 -9.29265938e-52]
energy per atom =  -17.205947986915447
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0