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_LeeWirthShim_2005_FeCu__MO_063626065437_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: 3.657947673192231e-11 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 2.1333452e-34 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]]
cellpar =  Cell([[3.6110985604639927, -1.3237978228839114e-32, 9.821715456451566e-34], [-1.6084573887191971e-32, 3.6110985604639927, 1.294463984701048e-17], [-5.747285656676175e-33, 1.2944639847010486e-17, 3.6110985604639927]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.65794767e-11 -3.65794767e-11 -3.65794767e-11 -2.89076366e-27
  6.89236998e-35  3.31734966e-51]
energy per atom =  -4.242099209249555
===============================================
==== 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 15:13:49      -16.968397         0.000000
BFGS:    8 15:13:49      -16.968397         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.401705814492139e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.18424448e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.611098560504931, -1.989064900385898e-33, 4.7802040306935144e-33], [-1.1341155102585355e-33, 3.611098560504931, 5.6003883728014716e-18], [-3.174551560255729e-33, 5.600388372801475e-18, 3.611098560504931]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.40170581e-14 -4.40170581e-14 -4.40170581e-14 -8.47280440e-30
  3.93849713e-35  5.81403146e-51]
energy per atom =  -4.242099209249558
===============================================
==== 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: 4.02598439132142e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['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 6.51045288e-39]]
cellpar =  Cell([[3.6110985600538656, 2.0195694776409656e-32, -6.377091618644604e-34], [1.5929003529935773e-32, 3.6110985600538656, 4.143924581217656e-22], [-1.2973960456536539e-33, 4.143924581229035e-22, 3.6110985600538656]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.02598439e-10 -4.02598439e-10 -4.02598439e-10  6.68084086e-27
  1.23078035e-36 -1.41410906e-53]
energy per atom =  -4.242099209249562
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0