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 15:18:57      -16.602689         1.352649
BFGS:    1 15:18:57      -16.677665         1.233136
BFGS:    2 15:18:57      -16.837737         0.893030
BFGS:    3 15:18:57      -16.943004         0.501538
BFGS:    4 15:18:57      -16.985360         0.053275
BFGS:    5 15:18:57      -16.985801         0.004044
BFGS:    6 15:18:57      -16.985803         0.000029
BFGS:    7 15:18:57      -16.985803         0.000000
BFGS:    8 15:18:57      -16.985803         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.3689585349815255e-15 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 4.27468679e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6043435018461345, 7.846313713306541e-33, 1.9157189367317906e-32], [1.4828717605098364e-32, 3.6043435018461345, 8.214524243849996e-18], [1.3342369384244437e-32, 8.214524243849977e-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 -1.98133873e-30
  3.95327359e-35  7.72685780e-51]
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 15:18:59      -16.528419         1.815774
BFGS:    1 15:18:59      -16.657594         1.507026
BFGS:    2 15:18:59      -16.841824         0.959517
BFGS:    3 15:18:59      -16.948363         0.470307
BFGS:    4 15:18:59      -16.985339         0.050398
BFGS:    5 15:18:59      -16.985801         0.003122
BFGS:    6 15:18:59      -16.985803         0.000023
BFGS:    7 15:18:59      -16.985803         0.000000
BFGS:    8 15:18:59      -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]
 [3.55939177e-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, -2.725674445515094e-33, 3.2782854303700905e-33], [-1.0671414253917995e-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 -1.00911070e-32
  1.09770202e-63 -5.23831157e-65]
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 15:19:00      -16.985630         0.032078
BFGS:    1 15:19:00      -16.985671         0.027982
BFGS:    2 15:19:00      -16.985803         0.000125
BFGS:    3 15:19:00      -16.985803         0.000000
BFGS:    4 15:19:00      -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 -5.20301129e-31
  4.94159198e-36  1.25923697e-54]
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