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_JeongParkDo_2018_PdFe__MO_924736622203_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 15:55:10       -8.456600         1.128650
BFGS:    1 15:55:10       -8.505880         0.904932
BFGS:    2 15:55:10       -8.580292         0.041484
BFGS:    3 15:55:10       -8.580416         0.007228
BFGS:    4 15:55:10       -8.580419         0.000045
BFGS:    5 15:55:10       -8.580419         0.000000
BFGS:    6 15:55:11       -8.580419         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.8114607041633614e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8636457870492857, -1.3136981121015838e-37, -2.191709418496248e-33], [-2.4927032267695347e-34, 2.8636457870492857, -7.912095871748141e-19], [4.7084915527025444e-33, -7.912095871748862e-19, 2.8636457870492857]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.81146070e-14 -2.81146070e-14 -2.81146070e-14  1.12376184e-29
  7.82853748e-35 -3.02737384e-50]
energy per atom =  -4.290209683563254
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0