element(s):
['Al', 'Fe']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.9793']
model name:
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Fe', 'Fe']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.9793, 0, 0], [0, 5.9793, 0], [0, 0, 5.9793]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:16:52      -58.370597         0.965534
BFGS:    1 12:16:52      -58.410145         0.945904
BFGS:    2 12:16:52      -58.546603         0.873097
BFGS:    3 12:16:52      -58.671942         0.797650
BFGS:    4 12:16:52      -58.785763         0.719498
BFGS:    5 12:16:52      -58.887653         0.638573
BFGS:    6 12:16:52      -58.977193         0.554809
BFGS:    7 12:16:52      -59.053950         0.468134
BFGS:    8 12:16:52      -59.117484         0.378476
BFGS:    9 12:16:52      -59.167340         0.285764
BFGS:   10 12:16:53      -59.203056         0.189923
BFGS:   11 12:16:53      -59.224157         0.090876
BFGS:   12 12:16:53      -59.230244         0.002886
BFGS:   13 12:16:53      -59.230250         0.000042
BFGS:   14 12:16:53      -59.230250         0.000000
BFGS:   15 12:16:53      -59.230250         0.000000
Minimization converged after 15 steps.
Maximum force component: 1.9679018440703513e-30 eV/Angstrom
Maximum stress component: 9.77083409598928e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.34361697e-36]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [5.92849643e-50 5.00000000e-01 8.34361697e-36]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.770668616079469, -3.8155889347868154e-32, -2.523966765904045e-32], [-2.7361082038907602e-33, 5.770668616079469, -5.502757665220196e-19], [1.895681257966266e-32, -5.502757665220666e-19, 5.770668616079469]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-7.11289823e-31  5.69031859e-31 -1.34404140e-30]
 [ 6.16451180e-31 -9.78023507e-32  2.63769976e-31]
 [ 1.27439427e-31  1.23290236e-30 -1.06693473e-30]
 [ 7.82418805e-31 -2.60806268e-31  1.96790184e-30]
 [-6.87580162e-31  8.53547788e-31  3.91209403e-31]
 [ 5.21612537e-31 -1.90862769e-30  8.65402618e-31]
 [-6.75725332e-31 -1.02247912e-30  6.13487472e-31]
 [-6.04596350e-31  6.40160841e-31 -8.29838127e-31]]
stress =  [-9.77083410e-15 -9.77083410e-15 -9.77083410e-15  8.20341792e-31
 -9.25354620e-34  6.93105069e-50]
energy per atom =  -3.7018906102704277
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0