element(s):
['Al', 'Fe']
AFLOW prototype label:
AB2_cF24_227_a_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.0562']
model name:
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Fe']
representative atom coordinates =  [[0.    0.    0.   ]
 [0.625 0.625 0.625]]
spacegroup =  227
cell =  [[7.0562, 0, 0], [0, 7.0562, 0], [0, 0, 7.0562]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:16:07      -72.538673        0.6427
BFGS:    1 17:16:07      -72.556255        0.6338
BFGS:    2 17:16:07      -72.647628        0.5841
BFGS:    3 17:16:07      -72.731397        0.5325
BFGS:    4 17:16:07      -72.807274        0.4789
BFGS:    5 17:16:07      -72.874991        0.4237
BFGS:    6 17:16:07      -72.934292        0.3667
BFGS:    7 17:16:07      -72.984899        0.3077
BFGS:    8 17:16:07      -73.026475        0.2463
BFGS:    9 17:16:07      -73.058670        0.1826
BFGS:   10 17:16:08      -73.081135        0.1166
BFGS:   11 17:16:08      -73.093516        0.0481
BFGS:   12 17:16:08      -73.095990        0.0014
BFGS:   13 17:16:08      -73.095992        0.0000
BFGS:   14 17:16:08      -73.095992        0.0000
Minimization converged after 14 steps.
Maximum force component: 1.7125034407141226e-30 eV/Angstrom
Maximum stress component: 4.282253518232421e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 1.12977698e-32 1.34265742e-33]
 [6.41657259e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.13101861e-33]
 [5.00000000e-01 6.92574361e-33 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [6.25000000e-01 6.25000000e-01 6.25000000e-01]
 [3.75000000e-01 8.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 3.75000000e-01]
 [1.25000000e-01 3.75000000e-01 8.75000000e-01]
 [8.75000000e-01 3.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 8.75000000e-01]
 [1.25000000e-01 8.75000000e-01 3.75000000e-01]
 [6.25000000e-01 1.25000000e-01 1.25000000e-01]
 [3.75000000e-01 3.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 8.75000000e-01]
 [8.75000000e-01 8.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 3.75000000e-01]
 [1.25000000e-01 6.25000000e-01 1.25000000e-01]
 [6.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 1.25000000e-01 6.25000000e-01]]
cellpar =  Cell([[6.896452612810256, -1.3019531184311344e-34, 4.169143608118935e-33], [1.95588232539145e-33, 6.896452612810256, -4.337485441017865e-19], [-4.819446524087352e-34, -4.337485441017828e-19, 6.896452612810256]])
forces =  [[ 8.85472306e-32  1.71250344e-30  1.16173967e-30]
 [ 4.00233483e-31 -1.17590722e-30 -3.75440258e-31]
 [ 3.96691593e-31 -4.25026707e-32  1.06256677e-30]
 [-2.55016024e-31 -3.18770030e-32 -2.08971464e-31]
 [ 2.55016024e-31 -1.47342592e-30  3.68356479e-31]
 [ 3.11686252e-31  7.93383187e-31 -4.53361821e-31]
 [-1.41675569e-31 -1.24674501e-30  2.55016024e-31]
 [ 8.50053414e-32  1.55843126e-30 -3.68356479e-31]
 [ 1.13340455e-31  3.68356479e-31  2.69183581e-31]
 [ 6.80042731e-31  3.96691593e-31  5.10032049e-31]
 [ 1.70010683e-31  3.11686252e-31 -2.40848467e-31]
 [-3.67028271e-31 -5.10032049e-31 -1.41675569e-31]
 [ 1.07745377e-30  7.93383187e-31  4.53361821e-31]
 [-1.98345797e-31  5.31283384e-31  1.70010683e-31]
 [-7.36712959e-31 -1.39904624e-31 -6.37540061e-31]
 [ 1.13340455e-31  7.79215630e-32  4.53361821e-31]
 [-9.35058756e-31  6.80042731e-31  4.60445599e-32]
 [ 1.87720129e-31  4.81696935e-31  2.26680910e-31]
 [-8.21718300e-31 -1.45571647e-30  3.04602473e-31]
 [ 2.26680910e-31  1.98345797e-31 -3.54188923e-32]
 [ 3.68356479e-31  1.41675569e-31  1.13340455e-31]
 [-1.74598316e-64 -5.10032049e-31  4.28568596e-31]
 [-1.13340455e-31  4.10859150e-31 -3.11686252e-31]
 [ 8.85472306e-32  1.13340455e-31 -9.91728983e-32]]
stress =  [ 4.28225352e-10  4.28225352e-10  4.28225352e-10 -4.71018887e-26
 -1.38218977e-33 -1.89370830e-49]
energy per atom =  -3.0456663385886453
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0