element(s):
['Fe']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
3
Parameter values for parameter set 0:
['3.7691']
Parameter values for parameter set 1:
['3.449']
Parameter values for parameter set 2:
['3.6011']
model name:
MEAM_LAMMPS_LeeLee_2010_FeAl__MO_332211522050_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.7691, 0, 0], [0, 3.7691, 0], [0, 0, 3.7691]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:13:48      -16.600882         1.338713
BFGS:    1 15:13:48      -16.674355         1.221205
BFGS:    2 15:13:48      -16.832286         0.874721
BFGS:    3 15:13:48      -16.933633         0.465440
BFGS:    4 15:13:48      -16.968364         0.014950
BFGS:    5 15:13:48      -16.968397         0.001161
BFGS:    6 15:13:48      -16.968397         0.000003
BFGS:    7 15:13:48      -16.968397         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.657943028968854e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [7.57916467e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.13334520e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6110985604661074, -2.0912255205898927e-32, 1.7929578710730139e-34], [-2.3053124156336056e-32, 3.6110985604661074, -1.0035945514584272e-17], [-1.100243568905761e-32, -1.0035945514584258e-17, 3.6110985604661074]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.65794303e-11 -3.65794303e-11 -3.65794303e-11 -4.17080960e-28
 -3.81541910e-35 -1.60876911e-51]
energy per atom =  -4.242099209220145
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.449, 0, 0], [0, 3.449, 0], [0, 0, 3.449]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:13:49      -16.418990         2.126872
BFGS:    1 15:13:49      -16.593475         1.707108
BFGS:    2 15:13:49      -16.801865         1.085110
BFGS:    3 15:13:49      -16.922899         0.540963
BFGS:    4 15:13:49      -16.967580         0.069154
BFGS:    5 15:13:49      -16.968392         0.005351
BFGS:    6 15:13:49      -16.968397         0.000060
BFGS:    7 15:13:50      -16.968397         0.000000
BFGS:    8 15:13:50      -16.968397         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.529324770279797e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 2.1333452e-34]]
cellpar =  Cell([[3.6110985605070445, 3.2833419066289445e-33, 5.950404803749156e-35], [1.7332328995410157e-32, 3.6110985605070445, -9.825210542738491e-18], [3.6763047486749475e-35, -9.825210542738491e-18, 3.6110985605070445]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.52932477e-14 -4.52932477e-14 -4.52932477e-14 -2.89714767e-32
 -3.69234106e-36  2.23237937e-54]
energy per atom =  -4.242099209220137
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.6011, 0, 0], [0, 3.6011, 0], [0, 0, 3.6011]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:13:51      -16.966632         0.106491
BFGS:    1 15:13:51      -16.967085         0.091697
BFGS:    2 15:13:51      -16.968396         0.001465
BFGS:    3 15:13:51      -16.968397         0.000021
BFGS:    4 15:13:51      -16.968397         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.0259794000704924e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [8.8818336e-51 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]]
cellpar =  Cell([[3.611098560055981, 1.708369839908962e-33, -3.1914458264545e-34], [4.411235542989505e-36, 3.611098560055981, 2.3653085156309795e-22], [-4.08924856581803e-36, 2.36530851563241e-22, 3.611098560055981]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.02597940e-10 -4.02597940e-10 -4.02597940e-10 -5.90873213e-26
 -4.18465320e-35 -3.98950866e-51]
energy per atom =  -4.242099209220136
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0