element(s):
['Mn', '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:
['3.0981', '1.0744973']
model name:
EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mn', 'Pd']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  123
cell =  [[3.0981, 0, 0], [0, 3.0981, 0], [0, 0, 3.3289]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:56:31       -6.873684         6.115356
BFGS:    1 14:56:31       -7.556789         3.746382
BFGS:    2 14:56:31       -7.866448         0.865628
BFGS:    3 14:56:31       -7.881568         0.813873
BFGS:    4 14:56:31       -7.894589         1.035505
BFGS:    5 14:56:31       -7.946960         1.896178
BFGS:    6 14:56:31       -8.025212         2.459022
BFGS:    7 14:56:31       -8.138536         2.773023
BFGS:    8 14:56:31       -8.278274         3.015050
BFGS:    9 14:56:31       -8.441336         3.234133
BFGS:   10 14:56:31       -8.623821         3.369779
BFGS:   11 14:56:31       -8.819143         3.383510
BFGS:   12 14:56:31       -9.018613         3.269441
BFGS:   13 14:56:31       -9.210615         3.038965
BFGS:   14 14:56:31       -9.378911         2.691117
BFGS:   15 14:56:31       -9.506150         2.166132
BFGS:   16 14:56:31       -9.582825         1.298482
BFGS:   17 14:56:31       -9.607315         0.391708
BFGS:   18 14:56:31       -9.608984         0.095834
BFGS:   19 14:56:31       -9.609083         0.002238
BFGS:   20 14:56:31       -9.609084         0.000021
BFGS:   21 14:56:31       -9.609084         0.000000
BFGS:   22 14:56:31       -9.609084         0.000000
Minimization converged after 22 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.685370194094943e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mn', 'Pd']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.4667258316734575, 3.1990524659403844e-35, 7.741932722515052e-33], [1.086007236490858e-34, 2.4667258316734575, 2.1892800241490616e-18], [-4.823381377491076e-33, -1.5459033757217493e-17, 4.277932212669674]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.68537019e-10  5.68537019e-10 -9.95861936e-12 -7.47098290e-26
  1.09505759e-34  2.10843494e-50]
energy per atom =  -4.80454176129124
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0