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_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
==== 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 16:55:30       -8.409326         1.223538
BFGS:    1 16:55:30       -8.467437         0.988875
BFGS:    2 16:55:30       -8.557549         0.175499
BFGS:    3 16:55:30       -8.559924         0.030750
BFGS:    4 16:55:31       -8.559996         0.000863
BFGS:    5 16:55:31       -8.559996         0.000007
BFGS:    6 16:55:31       -8.559996         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2450332193600957e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8509988963917, -1.440615359270919e-32, -5.684841139304188e-33], [-1.458089831268408e-32, 2.8509988963917, 4.2499222998306647e-19], [1.909662236620813e-34, 4.2499222998301543e-19, 2.8509988963917]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.24503322e-10 -1.24503322e-10 -1.24503322e-10 -4.77333424e-27
 -1.26370329e-33 -9.09488273e-50]
energy per atom =  -4.279998132361638
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0