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 12:07:11       -6.873684         6.115356
BFGS:    1 12:07:11       -7.556789         3.746382
BFGS:    2 12:07:11       -7.866448         0.865628
BFGS:    3 12:07:11       -7.881568         0.813873
BFGS:    4 12:07:11       -7.894589         1.035505
BFGS:    5 12:07:11       -7.946960         1.896178
BFGS:    6 12:07:11       -8.025212         2.459022
BFGS:    7 12:07:11       -8.138536         2.773023
BFGS:    8 12:07:11       -8.278274         3.015050
BFGS:    9 12:07:11       -8.441336         3.234133
BFGS:   10 12:07:11       -8.623821         3.369779
BFGS:   11 12:07:11       -8.819143         3.383510
BFGS:   12 12:07:12       -9.018613         3.269441
BFGS:   13 12:07:12       -9.210615         3.038965
BFGS:   14 12:07:12       -9.378911         2.691117
BFGS:   15 12:07:12       -9.506150         2.166132
BFGS:   16 12:07:12       -9.582825         1.298482
BFGS:   17 12:07:12       -9.607315         0.391708
BFGS:   18 12:07:12       -9.608984         0.095834
BFGS:   19 12:07:12       -9.609083         0.002238
BFGS:   20 12:07:12       -9.609084         0.000021
BFGS:   21 12:07:12       -9.609084         0.000000
BFGS:   22 12:07:12       -9.609084         0.000000
Minimization converged after 22 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.68530979953503e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mn', 'Pd']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.4667258316734557, 9.424768080317008e-35, -3.9815565722437924e-32], [9.394215424291196e-35, 2.4667258316734566, -5.014813895403466e-17], [1.5625988135383612e-32, -5.058250459994535e-18, 4.277932212669673]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.68530980e-10  5.68530980e-10 -9.96331102e-12  2.73054250e-27
 -2.92015357e-34  8.00296464e-50]
energy per atom =  -4.804541761291242
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0