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_001
==== 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 15:57:36      -58.370597         0.965534
BFGS:    1 15:57:36      -58.410145         0.945904
BFGS:    2 15:57:36      -58.546603         0.873097
BFGS:    3 15:57:36      -58.671942         0.797650
BFGS:    4 15:57:36      -58.785763         0.719498
BFGS:    5 15:57:36      -58.887653         0.638573
BFGS:    6 15:57:36      -58.977193         0.554809
BFGS:    7 15:57:36      -59.053950         0.468134
BFGS:    8 15:57:36      -59.117484         0.378476
BFGS:    9 15:57:36      -59.167340         0.285764
BFGS:   10 15:57:36      -59.203056         0.189923
BFGS:   11 15:57:36      -59.224157         0.090876
BFGS:   12 15:57:36      -59.230244         0.002886
BFGS:   13 15:57:36      -59.230250         0.000042
BFGS:   14 15:57:36      -59.230250         0.000000
BFGS:   15 15:57:37      -59.230250         0.000000
Minimization converged after 15 steps.
Maximum force component: 2.3487382702195084e-31 eV/Angstrom
Maximum stress component: 9.635711265968359e-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 3.33744679e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00617018e-35]
 [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, 1.2843432690923807e-32, 1.5927406500693533e-33], [9.004329268179738e-33, 5.770668616079469, 1.0835760057688419e-18], [-2.0222537843161864e-33, 1.0835760057688425e-18, 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]
 [ 8.89112279e-33 -2.25241777e-31 -5.63104443e-32]
 [ 1.47444453e-31  1.56335576e-31  1.65967625e-31]
 [-5.18648829e-32 -2.34873827e-31  1.71154114e-31]
 [ 6.14969326e-32  7.85382513e-32  8.40952031e-32]
 [-1.47444453e-31 -1.88565896e-31 -1.99309336e-31]
 [ 2.37096608e-32  1.60040210e-31  1.03729766e-31]
 [-1.03729766e-32  1.89677286e-31 -1.84861261e-31]
 [-2.15609728e-31 -1.92640994e-31  4.31589919e-32]]
stress =  [-9.63571127e-15 -9.63571127e-15 -9.63571127e-15 -8.14690341e-32
  9.25354620e-35  7.36763783e-52]
energy per atom =  -3.7018906102704263
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0