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 14:00:07     -223.620667         6.830920
BFGS:    1 14:00:08     -224.629761         6.621702
BFGS:    2 14:00:08     -225.609743         6.421865
BFGS:    3 14:00:08     -226.555669         6.188359
BFGS:    4 14:00:09     -227.465598         5.941812
BFGS:    5 14:00:09     -228.337535         5.681705
BFGS:    6 14:00:09     -229.171486         5.450101
BFGS:    7 14:00:10     -229.967570         5.161867
BFGS:    8 14:00:10     -230.719284         4.858401
BFGS:    9 14:00:11     -231.424299         4.539100
BFGS:   10 14:00:11     -232.080191         4.203335
BFGS:   11 14:00:11     -232.684444         3.850458
BFGS:   12 14:00:12     -233.234439         3.479791
BFGS:   13 14:00:12     -233.728517         3.109738
BFGS:   14 14:00:13     -234.164616         2.701653
BFGS:   15 14:00:13     -234.538015         2.273599
BFGS:   16 14:00:13     -234.845658         1.824791
BFGS:   17 14:00:14     -235.084374         1.354415
BFGS:   18 14:00:15     -235.250862         0.861625
BFGS:   19 14:00:16     -235.341697         0.345543
BFGS:   20 14:00:16     -235.358464         0.013471
BFGS:   21 14:00:17     -235.358489         0.000199
BFGS:   22 14:00:17     -235.358489         0.000000
BFGS:   23 14:00:18     -235.358489         0.000000
Minimization converged after 23 steps.
Maximum force component: 2.1131751792035752e-29 eV/Angstrom
Maximum stress component: 7.25160042985195e-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 =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [1.2839533e-34 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [7.5000000e-01 2.5000000e-01 7.5000000e-01]
 [2.5000000e-01 2.5000000e-01 2.5000000e-01]
 [2.5000000e-01 7.5000000e-01 7.5000000e-01]
 [7.5000000e-01 7.5000000e-01 2.5000000e-01]
 [6.2500000e-01 6.2500000e-01 6.2500000e-01]
 [3.7500000e-01 8.7500000e-01 1.2500000e-01]
 [8.7500000e-01 1.2500000e-01 3.7500000e-01]
 [1.2500000e-01 3.7500000e-01 8.7500000e-01]
 [8.7500000e-01 3.7500000e-01 1.2500000e-01]
 [3.7500000e-01 1.2500000e-01 8.7500000e-01]
 [1.2500000e-01 8.7500000e-01 3.7500000e-01]
 [6.2500000e-01 1.2500000e-01 1.2500000e-01]
 [3.7500000e-01 3.7500000e-01 6.2500000e-01]
 [8.7500000e-01 6.2500000e-01 8.7500000e-01]
 [8.7500000e-01 8.7500000e-01 6.2500000e-01]
 [3.7500000e-01 6.2500000e-01 3.7500000e-01]
 [1.2500000e-01 6.2500000e-01 1.2500000e-01]
 [6.2500000e-01 3.7500000e-01 3.7500000e-01]
 [6.2500000e-01 8.7500000e-01 8.7500000e-01]
 [1.2500000e-01 1.2500000e-01 6.2500000e-01]]
cellpar =  Cell([[6.767413349822673, -2.17315093268178e-33, -3.506362758173088e-34], [-7.980872202224195e-34, 6.767413349822673, 3.517584225397981e-18], [3.313886283545297e-34, 3.5175842253979814e-18, 6.767413349822673]])
forces =  [[-1.91158939e-32  1.21646597e-31 -4.17074049e-32]
 [ 1.88226387e-31 -1.39024683e-31 -6.95123414e-33]
 [-8.34148097e-32 -1.59878385e-31  1.52927151e-31]
 [ 6.95123414e-32  1.00792895e-31  9.12349481e-32]
 [-6.95123414e-32  8.62635047e-50  1.65960715e-31]
 [ 5.38720646e-32 -2.08537024e-31 -1.39024683e-32]
 [ 1.63897068e-31  5.90854902e-32  9.08004960e-32]
 [ 4.17074049e-32  2.18963875e-31 -2.78049366e-32]
 [-1.33463696e-30 -7.56294275e-30  7.56294275e-30]
 [-9.78733767e-30  1.20117326e-29  8.89757970e-31]
 [ 1.14188576e-63 -8.89757970e-30  1.89073569e-30]
 [-2.66927391e-30 -2.22439493e-30 -7.11806376e-30]
 [-1.33463696e-30 -8.89757970e-30 -1.15668536e-29]
 [-1.02322167e-29 -4.89366884e-30 -3.55903188e-30]
 [ 1.11219746e-31  3.44781213e-30  6.92342921e-30]
 [-4.44878985e-30 -8.00782173e-30  5.33854782e-30]
 [-8.89757970e-30  1.33463696e-30  8.89757970e-31]
 [-1.06770956e-29 -4.00391087e-30 -6.67318478e-30]
 [-6.47855022e-30 -2.11317518e-29 -4.05952074e-30]
 [ 2.22439493e-30 -8.89757970e-30  1.33463696e-30]
 [-3.55903188e-30 -6.22830579e-30  4.00391087e-30]
 [ 3.55903188e-30 -9.78733767e-30 -1.77951594e-29]
 [-3.55903188e-30  5.33854782e-30  1.51258855e-29]
 [-3.33659239e-31 -5.56098731e-31  8.56392046e-30]]
stress =  [-7.25160043e-14 -7.25160043e-14 -7.25160043e-14 -1.54173963e-31
 -5.45842958e-64  1.20700082e-63]
energy per atom =  -9.806603705435768
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0