element(s):
['Fe', 'Pd']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8382']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Pd']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.8382, 0, 0], [0, 3.8382, 0], [0, 0, 3.8382]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:04:10      -38.833579         6.961053
BFGS:    1 15:04:10      -39.768230         5.418132
BFGS:    2 15:04:10      -40.437816         3.364341
BFGS:    3 15:04:10      -40.741956         0.559141
BFGS:    4 15:04:10      -40.749644         0.055991
BFGS:    5 15:04:10      -40.749713         0.005407
BFGS:    6 15:04:10      -40.749714         0.000012
BFGS:    7 15:04:10      -40.749714         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.052217284665072e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Pd']
basis =  [[7.42616327e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.18055827e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.18055827e-34]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.6854981005308676, 1.63421874601226e-32, 7.553873499359992e-34], [-9.039702130104277e-33, 3.6854981005308676, -1.8440000478159086e-17], [3.0713604941332944e-32, -1.8440000478159127e-17, 3.6854981005308676]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.05221728e-10 -2.05221728e-10 -2.05221728e-10  1.54100708e-26
  3.02487074e-34 -7.01523537e-50]
energy per atom =  -10.187428411913896
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0