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_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_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 14:00:29      -78.323051         1.753646
BFGS:    1 14:00:30      -78.454193         1.736144
BFGS:    2 14:00:30      -78.711949         1.700429
BFGS:    3 14:00:31      -78.964268         1.663650
BFGS:    4 14:00:31      -79.210989         1.625786
BFGS:    5 14:00:32      -79.451949         1.586817
BFGS:    6 14:00:32      -79.686978         1.546720
BFGS:    7 14:00:33      -79.915907         1.505473
BFGS:    8 14:00:33      -80.138561         1.463053
BFGS:    9 14:00:33      -80.354763         1.419439
BFGS:   10 14:00:34      -80.564332         1.374606
BFGS:   11 14:00:34      -80.767083         1.328530
BFGS:   12 14:00:34      -80.962828         1.281189
BFGS:   13 14:00:35      -81.151375         1.232557
BFGS:   14 14:00:35      -81.332529         1.182609
BFGS:   15 14:00:35      -81.506091         1.131320
BFGS:   16 14:00:35      -81.671857         1.078664
BFGS:   17 14:00:36      -81.829620         1.024615
BFGS:   18 14:00:36      -81.979170         0.969147
BFGS:   19 14:00:36      -82.120292         0.912233
BFGS:   20 14:00:36      -82.252767         0.853844
BFGS:   21 14:00:36      -82.376370         0.793954
BFGS:   22 14:00:36      -82.490876         0.732532
BFGS:   23 14:00:36      -82.596052         0.669552
BFGS:   24 14:00:36      -82.691662         0.604982
BFGS:   25 14:00:37      -82.777466         0.538794
BFGS:   26 14:00:37      -82.853257         0.471511
BFGS:   27 14:00:38      -82.918835         0.402569
BFGS:   28 14:00:38      -82.973940         0.331875
BFGS:   29 14:00:39      -83.018307         0.259378
BFGS:   30 14:00:39      -83.051662         0.185034
BFGS:   31 14:00:39      -83.073723         0.108805
BFGS:   32 14:00:40      -83.084207         0.030657
BFGS:   33 14:00:40      -83.085095         0.000531
BFGS:   34 14:00:40      -83.085095         0.000003
BFGS:   35 14:00:41      -83.085095         0.000000
Minimization converged after 35 steps.
Maximum force component: 9.134619692662761e-31 eV/Angstrom
Maximum stress component: 1.6132348232746854e-11 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 =  [[5.80738558e-34 6.29040749e-33 3.19873194e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 2.33890716e-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([[6.587452379739338, 8.5437006859692e-33, 5.7255721451024794e-34], [-4.421550556292495e-34, 6.587452379739338, 5.490932610637687e-18], [-4.86266652934539e-34, 5.490932610637683e-18, 6.587452379739338]])
forces =  [[-1.25178122e-31  6.59722533e-32 -6.76638496e-32]
 [ 9.64209856e-32  1.15028544e-31  1.35327699e-31]
 [-1.96225164e-31 -1.96225164e-31 -5.41310797e-32]
 [ 7.44302345e-32 -3.55235210e-32  3.04487323e-32]
 [-9.47293894e-32 -1.21794929e-31 -8.11966195e-32]
 [ 8.45798120e-32 -2.84188168e-31  1.35327699e-32]
 [-1.01495774e-31  1.99608356e-31 -7.44302345e-32]
 [ 8.11966195e-32 -1.89458779e-31  1.35327699e-32]
 [ 1.08262159e-31 -3.24786478e-31 -4.22899060e-31]
 [-2.97720938e-31  4.17824271e-31 -2.16524319e-31]
 [-9.47293894e-32 -2.30057089e-31 -2.57122628e-31]
 [-3.38319248e-32  4.33048637e-31  1.08262159e-31]
 [-2.02991549e-31 -2.70655398e-31 -2.97720938e-31]
 [ 2.70655398e-32 -2.70655398e-31 -2.70655398e-31]
 [-1.99608356e-31 -2.94337746e-31  1.28561314e-31]
 [ 3.78917558e-31 -1.89458779e-31 -2.70655398e-32]
 [ 1.08262159e-31 -5.68376336e-31 -3.24786478e-31]
 [ 1.55626854e-31 -2.16524319e-31 -2.70655398e-32]
 [ 4.93946102e-31 -9.13461969e-31 -2.02991549e-32]
 [-1.62393239e-31 -1.62393239e-31 -4.33048637e-31]
 [ 3.58618403e-31 -1.75926009e-31 -1.35327699e-31]
 [-2.16524319e-31 -2.97720938e-31  2.02991549e-31]
 [ 5.41310797e-32 -2.83025196e-31  2.97720938e-31]
 [ 4.05983097e-32 -2.16524319e-31 -3.78917558e-31]]
stress =  [1.61323482e-11 1.61323482e-11 1.61323482e-11 4.51444539e-29
 8.04791078e-34 4.01206206e-52]
energy per atom =  -3.461878969590819
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0