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 10:32:07      -38.833579         6.961053
BFGS:    1 10:32:07      -39.768230         5.418132
BFGS:    2 10:32:07      -40.437816         3.364341
BFGS:    3 10:32:07      -40.741956         0.559141
BFGS:    4 10:32:07      -40.749644         0.055991
BFGS:    5 10:32:07      -40.749713         0.005407
BFGS:    6 10:32:07      -40.749714         0.000012
BFGS:    7 10:32:07      -40.749714         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.0522001337070137e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Pd']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.36111654e-34]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.685498100530868, -1.566531248565215e-32, -2.1066085272703178e-33], [-1.3527251451407753e-32, 3.685498100530868, -1.8879698771739857e-17], [-2.80336266579803e-32, -1.8879698771739826e-17, 3.685498100530868]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.05220013e-10 -2.05220013e-10 -2.05220013e-10  4.64327892e-27
 -6.04974149e-34 -7.84822248e-51]
energy per atom =  -10.18742841191389
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0