element(s):
['Fe']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9647']
model name:
MEAM_LAMMPS_AsadiZaeemNouranian_2015_Fe__MO_492310898779_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.9647, 0, 0], [0, 2.9647, 0], [0, 0, 2.9647]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 18:20:48       -8.428807         1.227719
BFGS:    1 18:20:48       -8.487295         0.991437
BFGS:    2 18:20:48       -8.577574         0.175012
BFGS:    3 18:20:48       -8.579928         0.030534
BFGS:    4 18:20:48       -8.579999         0.000736
BFGS:    5 18:20:48       -8.579999         0.000003
BFGS:    6 18:20:48       -8.579999         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.4364927823930253e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8510001607798547, -2.126714368027165e-32, 1.6433212934689947e-33], [-5.5754465541994425e-33, 2.8510001607798547, -2.737405345416842e-19], [1.1748217648201196e-33, -2.737405345417331e-19, 2.8510001607798547]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.43649278e-11 -2.43649278e-11 -2.43649278e-11  8.31431639e-28
  1.57962771e-35 -2.08777226e-52]
energy per atom =  -4.289999640794245
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0