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_WuLeeSu_2017_NiCrFe__MO_912636107108_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 15:21:08      -16.600882         1.338713
BFGS:    1 15:21:08      -16.674355         1.221205
BFGS:    2 15:21:08      -16.832286         0.874721
BFGS:    3 15:21:08      -16.933633         0.465440
BFGS:    4 15:21:08      -16.968364         0.014950
BFGS:    5 15:21:08      -16.968397         0.001161
BFGS:    6 15:21:08      -16.968397         0.000003
BFGS:    7 15:21:08      -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.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.6110985604639927, -1.5300161720089582e-32, 4.080081570229409e-34], [-1.8573409701710456e-32, 3.6110985604639927, 1.2944633529300982e-17], [-2.484446938885034e-33, 1.2944633529300984e-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 -1.05355440e-27
  6.89236998e-35  1.79306202e-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 15:21:10      -16.418990         2.126872
BFGS:    1 15:21:10      -16.593475         1.707108
BFGS:    2 15:21:10      -16.801865         1.085110
BFGS:    3 15:21:10      -16.922899         0.540963
BFGS:    4 15:21:10      -16.967580         0.069154
BFGS:    5 15:21:10      -16.968392         0.005351
BFGS:    6 15:21:10      -16.968397         0.000060
BFGS:    7 15:21:10      -16.968397         0.000000
BFGS:    8 15:21:10      -16.968397         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.4068559588314265e-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([[3.611098560504931, 1.9449641182397034e-32, 1.0334826255790387e-33], [1.6298992868764834e-32, 3.611098560504931, 5.456849747604971e-18], [2.7168552044752815e-33, 5.456849747604972e-18, 3.611098560504931]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.40685596e-14 -4.40685596e-14 -4.40685596e-14  5.57640423e-31
 -4.92312142e-36  1.43734519e-52]
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 15:21:12      -16.966632         0.106491
BFGS:    1 15:21:12      -16.967085         0.091697
BFGS:    2 15:21:12      -16.968396         0.001465
BFGS:    3 15:21:12      -16.968397         0.000021
BFGS:    4 15:21:12      -16.968397         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.0259755039454807e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [5.6843735e-49 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]]
cellpar =  Cell([[3.6110985600538665, -2.2756571324737096e-33, 8.917215268140673e-36], [3.699471030703788e-33, 3.6110985600538665, 8.737985294789008e-22], [7.680121805607236e-33, 8.73798529469644e-22, 3.6110985600538665]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.02597550e-10 -4.02597550e-10 -4.02597550e-10  1.51586847e-25
 -6.40005784e-35  1.92684567e-50]
energy per atom =  -4.242099209249561
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0