element(s):
['Al', 'Pd']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0717']
model name:
EAM_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Pd']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.0717, 0, 0], [0, 3.0717, 0], [0, 0, 3.0717]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:17:45      -10.888281         1.117693
BFGS:    1 11:17:45      -10.933025         0.750648
BFGS:    2 11:17:45      -10.968927         0.027676
BFGS:    3 11:17:45      -10.968975         0.000436
BFGS:    4 11:17:45      -10.968975         0.000017
BFGS:    5 11:17:45      -10.968975         0.000000
BFGS:    6 11:17:45      -10.968975         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.913300033708087e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Pd']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.998781420939089, -4.609945649680146e-32, -9.136422475490531e-33], [-2.7282979415436233e-33, 2.998781420939089, 1.132802921494812e-17], [3.623063854663392e-33, 1.132802921494812e-17, 2.998781420939089]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.91330003e-14  3.91330003e-14  3.91330003e-14  9.75142363e-31
  1.14221955e-34 -1.42233352e-51]
energy per atom =  -5.434402245915487
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0