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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 11:42:09     -223.620667         6.830920
BFGS:    1 11:42:09     -224.629761         6.621702
BFGS:    2 11:42:09     -225.609743         6.421865
BFGS:    3 11:42:09     -226.555669         6.188359
BFGS:    4 11:42:10     -227.465598         5.941812
BFGS:    5 11:42:10     -228.337535         5.681705
BFGS:    6 11:42:10     -229.171486         5.450101
BFGS:    7 11:42:10     -229.967570         5.161867
BFGS:    8 11:42:10     -230.719284         4.858401
BFGS:    9 11:42:10     -231.424299         4.539100
BFGS:   10 11:42:10     -232.080191         4.203335
BFGS:   11 11:42:10     -232.684444         3.850458
BFGS:   12 11:42:10     -233.234439         3.479791
BFGS:   13 11:42:10     -233.728517         3.109738
BFGS:   14 11:42:10     -234.164616         2.701653
BFGS:   15 11:42:11     -234.538015         2.273599
BFGS:   16 11:42:11     -234.845658         1.824791
BFGS:   17 11:42:11     -235.084374         1.354415
BFGS:   18 11:42:11     -235.250862         0.861625
BFGS:   19 11:42:11     -235.341697         0.345543
BFGS:   20 11:42:11     -235.358464         0.013471
BFGS:   21 11:42:11     -235.358489         0.000199
BFGS:   22 11:42:11     -235.358489         0.000000
BFGS:   23 11:42:11     -235.358489         0.000000
Minimization converged after 23 steps.
Maximum force component: 7.118063761527833e-30 eV/Angstrom
Maximum stress component: 6.57159913974396e-14 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 1.20113958e-33]
 [2.37214491e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.70753271e-33]
 [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([[6.767413349822675, 1.2075238057758518e-32, -4.575114832032889e-34], [-8.556278645633628e-33, 6.767413349822675, 4.2894255658532166e-18], [3.328269445022724e-33, 4.289425565853203e-18, 6.767413349822675]])
forces =  [[-6.95123414e-32 -1.66829619e-31  6.08232987e-32]
 [-2.78049366e-32 -1.33811257e-31 -6.95123414e-33]
 [-4.69208305e-32 -5.08308997e-32 -2.58499020e-32]
 [-1.06006321e-31 -6.25611073e-32 -2.78049366e-32]
 [ 8.34148097e-32 -4.17074049e-32 -2.08537024e-32]
 [ 2.43293195e-32  2.15488258e-31  4.17074049e-32]
 [-3.47561707e-33 -2.17226067e-32 -4.51830219e-32]
 [ 1.39024683e-32  1.38155779e-31  5.56098731e-32]
 [ 9.45367843e-31  1.55707645e-30  8.89757970e-31]
 [ 3.78147137e-30  4.22635036e-30  2.44683442e-30]
 [-1.33463696e-30 -1.12792004e-48 -1.77951594e-30]
 [-2.78049366e-32 -8.34148097e-31 -8.34148097e-31]
 [-1.55707645e-30 -3.00293315e-30  2.22439493e-30]
 [-1.11219746e-31 -1.11219746e-30  3.33659239e-31]
 [ 3.12704406e-64  4.44878985e-31  1.77951594e-30]
 [-7.78538224e-31  2.22439493e-30  1.11219746e-30]
 [-2.22439493e-31 -6.11708605e-31 -2.78049366e-31]
 [ 5.56098731e-32 -7.78538224e-31  2.00195543e-30]
 [ 1.77951594e-30  2.22439493e-31 -6.67318478e-31]
 [-1.89073569e-30 -4.44878985e-31 -2.78049366e-30]
 [-9.21645449e-64  1.33463696e-30  1.55707645e-30]
 [-1.33463696e-30 -2.22439493e-30 -8.89757970e-31]
 [ 1.52927151e-30  3.80927631e-30  7.11806376e-30]
 [-6.67318478e-31  8.89757970e-31  8.89757970e-31]]
stress =  [-6.57159914e-14 -6.57159914e-14 -6.57159914e-14 -1.78433397e-30
  1.14832222e-32  1.83845054e-48]
energy per atom =  -9.80660370543576
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0