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 15:57:09      -56.214136         2.803413
BFGS:    1 15:57:09      -56.547789         2.749025
BFGS:    2 15:57:09      -56.954192         2.667085
BFGS:    3 15:57:10      -57.347132         2.569506
BFGS:    4 15:57:10      -57.724259         2.456238
BFGS:    5 15:57:10      -58.083295         2.328730
BFGS:    6 15:57:10      -58.422222         2.188095
BFGS:    7 15:57:10      -58.739056         2.034108
BFGS:    8 15:57:10      -59.031776         1.866542
BFGS:    9 15:57:10      -59.298332         1.685240
BFGS:   10 15:57:10      -59.536653         1.490040
BFGS:   11 15:57:10      -59.744645         1.280906
BFGS:   12 15:57:10      -59.920242         1.058097
BFGS:   13 15:57:11      -60.061382         0.821445
BFGS:   14 15:57:11      -60.166040         0.573127
BFGS:   15 15:57:11      -60.233329         0.324175
BFGS:   16 15:57:11      -60.263322         0.075811
BFGS:   17 15:57:11      -60.265060         0.000083
BFGS:   18 15:57:11      -60.265060         0.000000
Minimization converged after 18 steps.
Maximum force component: 3.305048306348613e-30 eV/Angstrom
Maximum stress component: 3.546319421242887e-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]
 [2.46672131e-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]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.23336065e-49 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 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, 7.035298113494654e-33, 7.920399637067e-34], [8.732449491782471e-33, 5.547669807659403, -5.554142508183104e-18], [-2.5558234201261157e-34, -5.554142508183106e-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]
 [-6.83803098e-31  2.00582242e-30  3.18556084e-30]
 [ 7.12294894e-31 -1.98587816e-30 -1.38576972e-30]
 [-3.76091704e-31  2.59845177e-30 -1.27643245e-30]
 [ 2.27934366e-31 -1.19238165e-30  9.11737464e-31]
 [ 3.19108112e-31  2.46169115e-30  8.20563717e-31]
 [-5.35645760e-31 -3.30504831e-30 -9.11737464e-31]
 [ 5.92629351e-31 -2.31923217e-30  3.19108112e-31]
 [ 4.61567091e-31  2.46169115e-30  7.12294894e-31]]
stress =  [ 3.54631942e-10  3.54631942e-10  3.54631942e-10 -4.17697894e-27
  9.34492965e-34 -1.39657991e-51]
energy per atom =  -3.7665462093380966
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0