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_AsadiZaeemNouranian_2015_Fe__MO_492310898779_002
==== 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 20:40:49      -16.602689         1.352649
BFGS:    1 20:40:49      -16.677665         1.233136
BFGS:    2 20:40:50      -16.837737         0.893030
BFGS:    3 20:40:50      -16.943004         0.501538
BFGS:    4 20:40:50      -16.985360         0.053275
BFGS:    5 20:40:50      -16.985801         0.004044
BFGS:    6 20:40:50      -16.985803         0.000029
BFGS:    7 20:40:51      -16.985803         0.000000
BFGS:    8 20:40:51      -16.985803         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.368958534981527e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.6043435018461345, -2.0120178856412286e-33, 1.685001035929548e-32], [-1.334182504545011e-34, 3.6043435018461345, 8.21550191971101e-18], [4.9299147944878745e-32, 8.215501919710954e-18, 3.6043435018461345]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.36895853e-15 -5.36895853e-15 -5.36895853e-15  2.44853341e-30
  5.58888462e-63  1.39995591e-64]
energy per atom =  -4.246450757753886
===============================================
==== 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 20:41:02      -16.528419         1.815774
BFGS:    1 20:41:03      -16.657594         1.507026
BFGS:    2 20:41:03      -16.841824         0.959517
BFGS:    3 20:41:03      -16.948363         0.470307
BFGS:    4 20:41:03      -16.985339         0.050398
BFGS:    5 20:41:04      -16.985801         0.003122
BFGS:    6 20:41:04      -16.985803         0.000023
BFGS:    7 20:41:04      -16.985803         0.000000
BFGS:    8 20:41:04      -16.985803         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.8632248089025284e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.84751342e-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([[3.6043435018461363, -2.7256744455005793e-33, 3.2782854303700905e-33], [-1.0671414253959467e-33, 3.6043435018461363, 7.180874405739353e-18], [-3.5638505131781966e-33, 7.18087440573934e-18, 3.6043435018461363]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.86322481e-15 -3.86322481e-15 -3.86322481e-15  1.68969847e-31
  1.29648959e-63 -4.07854779e-64]
energy per atom =  -4.246450757753887
===============================================
==== 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 20:41:16      -16.985630         0.032078
BFGS:    1 20:41:16      -16.985671         0.027982
BFGS:    2 20:41:16      -16.985803         0.000125
BFGS:    3 20:41:17      -16.985803         0.000000
BFGS:    4 20:41:17      -16.985803         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.256691617076314e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.89834228e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.30453088e-38]]
cellpar =  Cell([[3.6043435018452783, -8.549542998176766e-33, 3.5974880550185385e-35], [-9.119276331065119e-33, 3.6043435018452783, -7.704740520376776e-22], [2.0912898003268788e-35, -7.7047405203766e-22, 3.6043435018452783]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.25669162e-13 -7.25669162e-13 -7.25669162e-13 -5.20302210e-31
  7.22872725e-64 -3.02207958e-61]
energy per atom =  -4.246450757753883
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0