element(s):
['Fe']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4403', '1.5759538']
model name:
MEAM_LAMMPS_LeeLee_2010_FeAl__MO_332211522050_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4403, 0, 0], [-1.22015, 2.1133617928552, 0], [0, 0, 3.8458]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:58:13       -8.075626         3.113872
BFGS:    1 14:58:13       -8.339897         1.869886
BFGS:    2 14:58:13       -8.488818         0.765785
BFGS:    3 14:58:13       -8.519292         0.196308
BFGS:    4 14:58:13       -8.520533         0.079282
BFGS:    5 14:58:13       -8.520683         0.055682
BFGS:    6 14:58:13       -8.521041         0.054808
BFGS:    7 14:58:13       -8.521305         0.037864
BFGS:    8 14:58:13       -8.521408         0.012989
BFGS:    9 14:58:13       -8.521420         0.003120
BFGS:   10 14:58:13       -8.521420         0.000162
BFGS:   11 14:58:13       -8.521420         0.000010
BFGS:   12 14:58:13       -8.521420         0.000000
BFGS:   13 14:58:13       -8.521420         0.000000
Minimization converged after 13 steps.
Maximum force component: 6.796263278535395e-32 eV/Angstrom
Maximum stress component: 2.838281654332559e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.5628724015437805, -1.367851562314216e-17, -2.038231501835961e-36], [-1.2814362007718902, 2.2195126063949475, -3.694631518961513e-36], [1.0079284202212509e-35, 7.782005743030084e-36, 4.135337867685345]])
forces =  [[ 2.92264743e-49  9.11920169e-33  6.79626328e-32]
 [ 2.10598942e-32 -9.11920169e-33 -6.79626328e-32]]
stress =  [-1.12411957e-10 -1.12411957e-10 -2.83828165e-10 -2.23820878e-34
  3.84900718e-45 -1.11461738e-26]
energy per atom =  -4.260710028888776
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0