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 17:55:19       -8.428807        1.2277
BFGS:    1 17:55:19       -8.487295        0.9914
BFGS:    2 17:55:19       -8.577574        0.1750
BFGS:    3 17:55:19       -8.579928        0.0305
BFGS:    4 17:55:19       -8.579999        0.0007
BFGS:    5 17:55:19       -8.579999        0.0000
BFGS:    6 17:55:19       -8.579999        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.4365279074772462e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.851000160779855, 2.2903087983864679e-32, 2.493923660997031e-33], [2.011423689339876e-32, 2.851000160779855, -3.6154987097534495e-17], [2.3188356583281207e-34, -3.615498709753454e-17, 2.851000160779855]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.43652791e-11 -2.43652791e-11 -2.43652791e-11 -1.53484037e-27
 -2.54061030e-60 -3.04717453e-59]
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