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:
Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000
==== 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 16:32:28      -56.214136         2.803413
BFGS:    1 16:32:29      -56.547789         2.749025
BFGS:    2 16:32:29      -56.954192         2.667085
BFGS:    3 16:32:29      -57.347132         2.569506
BFGS:    4 16:32:29      -57.724259         2.456238
BFGS:    5 16:32:29      -58.083295         2.328730
BFGS:    6 16:32:30      -58.422222         2.188095
BFGS:    7 16:32:30      -58.739056         2.034108
BFGS:    8 16:32:30      -59.031776         1.866542
BFGS:    9 16:32:31      -59.298332         1.685240
BFGS:   10 16:32:31      -59.536653         1.490040
BFGS:   11 16:32:31      -59.744645         1.280906
BFGS:   12 16:32:32      -59.920242         1.058097
BFGS:   13 16:32:32      -60.061382         0.821445
BFGS:   14 16:32:32      -60.166040         0.573127
BFGS:   15 16:32:32      -60.233329         0.324175
BFGS:   16 16:32:32      -60.263322         0.075811
BFGS:   17 16:32:33      -60.265060         0.000083
BFGS:   18 16:32:33      -60.265060         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.420031099900128e-29 eV/Angstrom
Maximum stress component: 3.546319660005477e-10 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]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.23336065e-49 1.54170082e-50]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [3.08340163e-50 0.00000000e+00 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([[5.547669807659403, 4.126037782673298e-33, 3.834727709364365e-34], [6.507747007822437e-33, 5.547669807659403, -4.250945905449401e-18], [-3.5184520775681486e-34, -4.250945905449402e-18, 5.547669807659403]])
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]
 [-1.45877994e-30  4.60427419e-30  9.11452546e-30]
 [ 3.40192041e-30 -4.59572665e-30  5.66416899e-30]
 [-1.91464867e-30  3.78371047e-30 -4.19399233e-30]
 [ 3.73812360e-30 -4.35354639e-30 -9.66441712e-30]
 [-1.77788805e-30  4.37633983e-30 -5.83511977e-30]
 [ 1.13967183e-32 -3.60207528e-30 -8.20563717e-30]
 [ 2.73521239e-31 -3.89197930e-30  4.64986107e-30]
 [-3.29365159e-30  4.64986107e-30  1.42003110e-29]]
stress =  [ 3.54631966e-10  3.54631966e-10  3.54631966e-10  2.65320603e-28
  2.66997990e-34 -1.64082024e-52]
energy per atom =  -3.766546209338095
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0