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_WuLeeSu_2017_NiCrFe__MO_912636107108_001
==== 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 10:59:26       -8.075626         3.113872
BFGS:    1 10:59:26       -8.339897         1.869886
BFGS:    2 10:59:27       -8.488818         0.765785
BFGS:    3 10:59:27       -8.519292         0.196308
BFGS:    4 10:59:27       -8.520533         0.079282
BFGS:    5 10:59:27       -8.520683         0.055682
BFGS:    6 10:59:27       -8.521041         0.054808
BFGS:    7 10:59:28       -8.521305         0.037864
BFGS:    8 10:59:28       -8.521408         0.012989
BFGS:    9 10:59:28       -8.521420         0.003120
BFGS:   10 10:59:28       -8.521420         0.000162
BFGS:   11 10:59:28       -8.521420         0.000010
BFGS:   12 10:59:29       -8.521420         0.000000
BFGS:   13 10:59:29       -8.521420         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.8382896129355834e-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([[2.5628724015396043, -5.603518121361764e-19, 1.4831879536950627e-37], [-1.2814362007698021, 2.21951260639133, -3.175272061380673e-36], [3.8041924051750933e-36, 1.4259965595524985e-35, 4.135337867692178]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.12413272e-10 -1.12413272e-10 -2.83828961e-10  2.47308458e-45
  1.93834566e-34  9.46916741e-27]
energy per atom =  -4.26071002891807
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0