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_KoJimLee_2012_FeP__MO_179420363944_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 15:27:58      -16.600882        1.3387
BFGS:    1 15:27:58      -16.674355        1.2212
BFGS:    2 15:27:58      -16.832286        0.8747
BFGS:    3 15:27:58      -16.933633        0.4654
BFGS:    4 15:27:59      -16.968364        0.0150
BFGS:    5 15:27:59      -16.968397        0.0012
BFGS:    6 15:27:59      -16.968397        0.0000
BFGS:    7 15:27:59      -16.968397        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.7082730953400356e-11 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 1.33334076e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.611098533489043, 3.429507800926723e-35, -2.0378824101193055e-32], [-1.6158966133428564e-34, 3.611098533489043, 6.027098329219146e-19], [-2.531274912587026e-33, 6.027098329219051e-19, 3.6110985334890424]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.70827310e-11 -3.70827310e-11 -3.70827310e-11 -3.31704473e-26
  3.93849719e-35  1.75965462e-50]
energy per atom =  -4.2420992091596705
===============================================
==== 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 15:28:14      -16.418990        2.1269
BFGS:    1 15:28:15      -16.593475        1.7071
BFGS:    2 15:28:15      -16.801865        1.0851
BFGS:    3 15:28:15      -16.922899        0.5410
BFGS:    4 15:28:16      -16.967580        0.0692
BFGS:    5 15:28:16      -16.968392        0.0054
BFGS:    6 15:28:16      -16.968397        0.0001
BFGS:    7 15:28:16      -16.968397        0.0000
BFGS:    8 15:28:17      -16.968397        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.531301918180946e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.73697795e-50 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([[3.611098533530544, 6.466011361893084e-33, -5.056389160746585e-34], [3.013144805032629e-33, 3.611098533530544, 2.1591875402290766e-17], [1.4405085877330634e-32, 2.159187540229076e-17, 3.611098533530544]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.53130192e-14 -4.53130192e-14 -4.53130192e-14 -4.45684788e-30
  2.46156074e-36  9.52990870e-52]
energy per atom =  -4.242099209159675
===============================================
==== 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 15:28:30      -16.966632        0.1065
BFGS:    1 15:28:30      -16.967085        0.0917
BFGS:    2 15:28:30      -16.968396        0.0015
BFGS:    3 15:28:30      -16.968397        0.0000
BFGS:    4 15:28:30      -16.968397        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.063190601387415e-10 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([[3.611098533075306, -1.4200478956212839e-33, -5.872326696207025e-34], [6.971446465467127e-33, 3.611098533075306, 4.464746003680218e-21], [-1.6561580182584595e-33, 4.464746003680641e-21, 3.611098533075306]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.06319060e-10 -4.06319060e-10 -4.06319060e-10 -3.83277465e-26
  3.93849719e-35 -2.55116909e-51]
energy per atom =  -4.2420992091596705
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0