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_KimLee_2006_PtFe__MO_343168101490_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 15:13:47      -16.600882         1.338713
BFGS:    1 15:13:47      -16.674355         1.221205
BFGS:    2 15:13:48      -16.832286         0.874721
BFGS:    3 15:13:48      -16.933633         0.465439
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: 3.6812718493224624e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.92122242e-51 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([[3.611098545181693, 7.57862403931269e-33, 3.2000484347660606e-34], [-2.206809432479999e-34, 3.611098545181693, 9.993293994781986e-18], [-2.0906306891804814e-34, 9.993293994781988e-18, 3.611098545181693]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.68127185e-11 -3.68127185e-11 -3.68127185e-11 -1.62544571e-28
 -4.92312146e-36 -1.61817793e-53]
energy per atom =  -4.242099209365853
===============================================
==== 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         2.126871
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         0.000059
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: 4.521286476510445e-14 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([[3.611098545222891, -2.0208766568306022e-32, -2.9455897859813278e-33], [2.094611971758382e-33, 3.611098545222891, 4.7546600413668335e-17], [2.9687387593071154e-33, 4.754660041366833e-17, 3.611098545222891]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.52128648e-14 -4.52128648e-14 -4.52128648e-14  1.22939858e-32
 -9.84624292e-36 -1.32363951e-52]
energy per atom =  -4.242099209365847
===============================================
==== 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: 4.036240282828744e-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([[3.6110985447706803, -4.497514086021746e-33, 4.534709615680317e-33], [-4.5508258011185796e-33, 3.6110985447706803, -1.489305391040087e-22], [9.064245668284934e-33, -1.4893053910745749e-22, 3.6110985447706803]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.03624028e-10 -4.03624028e-10 -4.03624028e-10 -1.06296179e-26
 -3.93849717e-35 -1.76369369e-51]
energy per atom =  -4.242099209365854
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0