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 13:59:53      -72.538673         0.642718
BFGS:    1 13:59:54      -72.556255         0.633824
BFGS:    2 13:59:54      -72.647628         0.584140
BFGS:    3 13:59:55      -72.731397         0.532464
BFGS:    4 13:59:56      -72.807274         0.478933
BFGS:    5 13:59:56      -72.874991         0.423662
BFGS:    6 13:59:56      -72.934292         0.366729
BFGS:    7 13:59:57      -72.984899         0.307661
BFGS:    8 13:59:57      -73.026475         0.246288
BFGS:    9 13:59:58      -73.058670         0.182590
BFGS:   10 13:59:58      -73.081135         0.116550
BFGS:   11 13:59:59      -73.093516         0.048134
BFGS:   12 13:59:59      -73.095990         0.001448
BFGS:   13 13:59:59      -73.095992         0.000017
BFGS:   14 13:59:59      -73.095992         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.5584312593882403e-30 eV/Angstrom
Maximum stress component: 4.2822599568259443e-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 0.00000000e+00 0.00000000e+00]
 [1.60494162e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.34046651e-33]
 [5.00000000e-01 8.93644337e-34 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([[6.896452612810258, 3.360005840662736e-33, -1.0515563450000794e-32], [-3.510281874030394e-33, 6.896452612810258, 5.363809299035298e-17], [-2.278095926533896e-32, 5.3638092990352986e-17, 6.896452612810258]])
forces =  [[ 5.31283384e-32 -3.01060584e-31 -1.13340455e-31]
 [ 2.30222800e-31  1.15699595e-48  1.48759347e-31]
 [ 4.53361821e-31 -2.83351138e-31  3.11686252e-31]
 [ 2.26680910e-31  6.33998171e-31  3.08144363e-31]
 [ 5.18621219e-64 -2.83351138e-31 -1.13340455e-31]
 [-1.70010683e-31  2.83351138e-32  1.13340455e-31]
 [-1.13340455e-31  4.53361821e-31 -1.13340455e-31]
 [ 5.66702276e-32  1.70010683e-31  1.13340455e-31]
 [-3.40021366e-31 -8.50053414e-32  1.41675569e-32]
 [ 7.36712959e-31 -1.13340455e-31 -2.26680910e-31]
 [-3.25853809e-31 -4.81696935e-31  5.66702276e-32]
 [-1.98345797e-31 -1.19007478e-30 -2.83351138e-32]
 [-7.93238685e-64  1.55843126e-30  1.21209099e-47]
 [ 3.47788033e-63 -3.96691593e-31 -9.91728983e-31]
 [ 7.79215630e-32  1.00589654e-30  3.40021366e-31]
 [-2.26680910e-31 -1.13340455e-31 -1.13340455e-31]
 [ 1.98345797e-31  2.26680910e-31 -6.80042731e-31]
 [ 3.40021366e-31 -5.66702276e-31 -8.78388528e-31]
 [ 4.81696935e-31  1.41675569e-32  5.45450941e-31]
 [-4.53361821e-31 -3.40021366e-31 -5.66702276e-32]
 [-1.98345797e-31 -2.83351138e-32 -2.26680910e-31]
 [-2.83351138e-31  5.66702276e-32 -5.66702276e-32]
 [-1.70010683e-31  2.26680910e-31 -1.02006410e-30]
 [-2.83351138e-31 -1.13340455e-31 -3.57730812e-31]]
stress =  [ 4.28225996e-10  4.28225996e-10  4.28225996e-10 -1.90722961e-25
  4.31934304e-35 -9.61753383e-51]
energy per atom =  -3.045666338588647
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0