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_EtesamiAsadi_2018_Fe__SM_267016608755_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 16:55:27       -8.423147         1.271938
BFGS:    1 16:55:27       -8.485707         1.018821
BFGS:    2 16:55:27       -8.577812         0.169697
BFGS:    3 16:55:27       -8.579935         0.029833
BFGS:    4 16:55:27       -8.580000         0.000683
BFGS:    5 16:55:27       -8.580000         0.000003
BFGS:    6 16:55:27       -8.580000         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.968523073000025e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.851000028717956, 4.5553975651746964e-36, -3.3656199632442584e-33], [8.851384595039756e-36, 2.851000028717956, -5.1312298353799425e-20], [-6.288852555665123e-33, -5.1312298353841073e-20, 2.851000028717956]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.96852307e-11 -1.96852307e-11 -1.96852307e-11 -1.08662186e-29
 -3.15925571e-35 -5.79847753e-54]
energy per atom =  -4.289999945844359
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0