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_LeeBaskesKim_2001_Fe__MO_196726067688_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 01:06:58      -16.523192         1.325287
BFGS:    1 01:06:58      -16.595205         1.209199
BFGS:    2 01:06:59      -16.751397         0.863576
BFGS:    3 01:06:59      -16.851149         0.455351
BFGS:    4 01:06:59      -16.884460         0.023754
BFGS:    5 01:06:59      -16.884542         0.001808
BFGS:    6 01:07:00      -16.884542         0.000006
BFGS:    7 01:07:00      -16.884542         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4400567579805434e-10 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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.06638008e-34]]
cellpar =  Cell([[3.61208910828768, 1.052093440942896e-32, 1.7412870338720806e-32], [-2.0984779493214345e-33, 3.61208910828768, -5.394006067604782e-18], [9.496190324127365e-33, -5.394006067604765e-18, 3.61208910828768]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.44005676e-10 -1.44005676e-10 -1.44005676e-10 -9.33815358e-26
  7.87267462e-35  1.49101165e-50]
energy per atom =  -4.221135595971692
===============================================
==== 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 01:07:13      -16.418990         2.126871
BFGS:    1 01:07:13      -16.593475         1.707108
BFGS:    2 01:07:13      -16.801670         1.072922
BFGS:    3 01:07:14      -16.900322         0.152880
BFGS:    4 01:07:14      -16.901809         0.031418
BFGS:    5 01:07:14      -16.901878         0.001083
BFGS:    6 01:07:14      -16.901878         0.000012
BFGS:    7 01:07:15      -16.901878         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.7029296851636794e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [7.19265998e-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([[3.5673229791519354, -1.7653554145900744e-34, -2.3282064602472314e-33], [-1.114371763208312e-33, 3.5673229791519354, -1.1928398101887052e-18], [1.99042029486314e-33, -1.1928398101887087e-18, 3.5673229791519354]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.70292969e-10  3.70292969e-10  3.70292969e-10  1.90110846e-26
 -5.04468866e-36  2.24038021e-52]
energy per atom =  -4.22546955261462
===============================================
==== 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 01:07:29      -16.882420         0.116603
BFGS:    1 01:07:29      -16.882963         0.100443
BFGS:    2 01:07:29      -16.884542         0.001758
BFGS:    3 01:07:29      -16.884542         0.000027
BFGS:    4 01:07:30      -16.884542         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.460680086737217e-10 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 1.30173350e-38 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.50866751e-39]]
cellpar =  Cell([[3.6120891077217587, -5.558640849175123e-37, 2.2719668588526367e-33], [5.565557325888035e-37, 3.6120891077217587, 2.58944456330225e-22], [-3.3233170170093634e-35, 2.5894445633249956e-22, 3.6120891077217587]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.46068009e-10 -6.46068009e-10 -6.46068009e-10  1.43456032e-25
 -1.46639992e-43  3.25713992e-59]
energy per atom =  -4.221135595971693
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0