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:
Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Fe__SM_042630680993_001
==== 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 15:54:40       -8.428807         1.227719
BFGS:    1 15:54:40       -8.487295         0.991437
BFGS:    2 15:54:40       -8.577574         0.175012
BFGS:    3 15:54:40       -8.579928         0.030534
BFGS:    4 15:54:40       -8.579999         0.000736
BFGS:    5 15:54:40       -8.579999         0.000003
BFGS:    6 15:54:40       -8.579999         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.436554680272178e-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, 2.192368661863797e-32, -1.213318904828986e-32], [1.035805139908518e-32, 2.8510001607798547, 3.5986976635864553e-17], [3.2580713855632436e-33, 3.598697663586449e-17, 2.8510001607798547]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.43655468e-11 -2.43655468e-11 -2.43655468e-11  2.19457366e-27
 -7.58221300e-34 -1.43972553e-50]
energy per atom =  -4.289999640794246
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0