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:
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
==== 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 15:57:04      -58.370597         0.965534
BFGS:    1 15:57:04      -58.410145         0.945904
BFGS:    2 15:57:04      -58.546603         0.873097
BFGS:    3 15:57:05      -58.671942         0.797650
BFGS:    4 15:57:05      -58.785763         0.719498
BFGS:    5 15:57:05      -58.887653         0.638573
BFGS:    6 15:57:05      -58.977193         0.554809
BFGS:    7 15:57:05      -59.053950         0.468133
BFGS:    8 15:57:05      -59.117484         0.378476
BFGS:    9 15:57:05      -59.167340         0.285764
BFGS:   10 15:57:05      -59.203056         0.189923
BFGS:   11 15:57:05      -59.224157         0.090876
BFGS:   12 15:57:05      -59.230244         0.002886
BFGS:   13 15:57:05      -59.230250         0.000042
BFGS:   14 15:57:05      -59.230250         0.000000
BFGS:   15 15:57:05      -59.230250         0.000000
Minimization converged after 15 steps.
Maximum force component: 2.513224041824796e-30 eV/Angstrom
Maximum stress component: 9.738370948222301e-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]
 [2.84567829e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.06798297e-33 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 0.00000000e+00]
 [9.48559429e-49 1.06798297e-33 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([[5.770668616079491, 5.050612564803469e-32, 4.1518040059711785e-32], [3.9016256032433895e-32, 5.770668616079491, 2.6979034757594902e-17], [6.342164478716474e-32, 2.697903475759489e-17, 5.770668616079491]])
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]
 [ 5.33467367e-31  2.18128879e-30  1.65967625e-31]
 [ 8.17983297e-31 -1.97382926e-30 -4.50483555e-31]
 [ 5.51249613e-31  2.51322404e-30  5.80886689e-31]
 [ 4.62338385e-31 -1.65967625e-30  1.25661202e-30]
 [-2.96370760e-31  2.15757913e-30  1.06693473e-30]
 [-8.65402618e-31 -1.79007939e-30  4.74193215e-32]
 [-1.22104753e-30 -2.13386947e-30 -8.89112279e-31]
 [-8.41692957e-31  2.13386947e-30 -1.51741829e-30]]
stress =  [-9.73837095e-15 -9.73837095e-15 -9.73837095e-15  2.42265764e-30
  1.09885861e-34 -1.19723327e-50]
energy per atom =  -3.7018906102704325
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0