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:
MEAM_LAMMPS_LeeLee_2010_FeAl__MO_332211522050_001
==== 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 11:42:30      -95.205482         0.940107
BFGS:    1 11:42:30      -95.243086         0.926525
BFGS:    2 11:42:30      -95.378224         0.875088
BFGS:    3 11:42:31      -95.505543         0.822251
BFGS:    4 11:42:31      -95.624828         0.767987
BFGS:    5 11:42:31      -95.735866         0.712269
BFGS:    6 11:42:31      -95.838435         0.655067
BFGS:    7 11:42:31      -95.932310         0.596351
BFGS:    8 11:42:31      -96.017263         0.536093
BFGS:    9 11:42:31      -96.093060         0.474262
BFGS:   10 11:42:31      -96.159462         0.410827
BFGS:   11 11:42:31      -96.216226         0.345757
BFGS:   12 11:42:31      -96.263105         0.279020
BFGS:   13 11:42:31      -96.299847         0.210583
BFGS:   14 11:42:31      -96.326194         0.140414
BFGS:   15 11:42:31      -96.341883         0.068478
BFGS:   16 11:42:31      -96.346672         0.001672
BFGS:   17 11:42:31      -96.346675         0.000019
BFGS:   18 11:42:31      -96.346675         0.000000
Minimization converged after 18 steps.
Maximum force component: 6.737643007483994e-31 eV/Angstrom
Maximum stress component: 3.850411841272006e-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 =  [[5.07176257e-33 1.86255380e-33 1.92155420e-33]
 [1.86166750e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 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([[6.832781762048494, 1.8777158805224792e-33, -9.128014564544929e-34], [-4.632168844450045e-33, 6.832781762048494, 2.6060928714054512e-17], [-3.300277942249283e-32, 2.6060928714054543e-17, 6.832781762048494]])
forces =  [[-1.39912838e-64  1.43876752e-31  8.77297267e-33]
 [-3.15827016e-32 -3.15827016e-32  2.80735125e-32]
 [-3.86010797e-32  5.61470251e-32 -7.01837813e-33]
 [-4.91286469e-32  1.05275672e-32 -3.50918907e-33]
 [-2.10551344e-32 -3.15827016e-32 -7.01837813e-33]
 [-1.05275672e-32 -4.56194579e-32 -4.56194579e-32]
 [ 9.29935103e-32  2.45643235e-32  6.31654032e-32]
 [-3.50918907e-33  4.21102688e-32  3.15827016e-32]
 [ 2.80735125e-31  5.61470251e-32  2.94771882e-31]
 [-1.96514588e-31  6.73764301e-31  2.80735125e-31]
 [ 7.72021595e-32 -1.54404319e-31 -2.73716747e-31]
 [-3.50918907e-31  3.08808638e-31 -2.24588100e-31]
 [ 3.50918907e-31 -6.17617276e-31 -3.36882150e-31]
 [ 2.80735125e-31  5.33396738e-31  2.80735125e-32]
 [ 6.66745923e-32  4.03556743e-31  8.42205376e-32]
 [ 3.08808638e-31  2.24588100e-31  1.96514588e-31]
 [-4.77249713e-31 -3.08808638e-31 -3.08808638e-31]
 [ 2.24588100e-31  4.49176200e-31 -1.40367563e-31]
 [ 7.89567540e-32  1.53527022e-31  4.91286469e-32]
 [-1.12294050e-31 -2.52661613e-31 -2.66698369e-31]
 [ 2.66698369e-31  8.42205376e-32  3.08808638e-31]
 [-2.24588100e-31 -6.17617276e-31  8.42205376e-32]
 [-1.12294050e-31  5.89543763e-31 -3.64955663e-31]
 [ 3.10343908e-31  1.98269182e-31  1.75459453e-31]]
stress =  [ 3.85041184e-10  3.85041184e-10  3.85041184e-10  1.76033894e-26
 -1.57725043e-58 -6.39576003e-59]
energy per atom =  -4.0144447866182045
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0