element(s):
['Fe', 'Pd']
AFLOW prototype label:
AB_tP2_123_a_d
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.8626', '1.275379']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Pd']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  123
cell =  [[2.8626, 0, 0], [0, 2.8626, 0], [0, 0, 3.6509]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:56:39      -19.799141         8.053449
BFGS:    1 14:56:39      -20.688080         5.074391
BFGS:    2 14:56:39      -21.020274         1.408946
BFGS:    3 14:56:39      -21.062966         1.584669
BFGS:    4 14:56:39      -21.115680         0.667805
BFGS:    5 14:56:39      -21.119443         0.092163
BFGS:    6 14:56:39      -21.119520         0.017559
BFGS:    7 14:56:39      -21.119524         0.000093
BFGS:    8 14:56:39      -21.119524         0.000000
BFGS:    9 14:56:39      -21.119524         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.141961534827116e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Pd']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.659584186103522, -9.90683086822026e-35, 1.2905765048944844e-36], [1.595561783011788e-35, 2.659584186103522, -1.115804458531947e-18], [6.985699610477495e-33, -1.4130091141949264e-18, 3.684709596764787]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.15040482e-11 -4.15040482e-11 -6.14196153e-11 -1.52883284e-26
 -1.44821917e-43 -4.08266074e-59]
energy per atom =  -10.559762060177428
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0