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 16:32:46       -6.873684        6.1154
BFGS:    1 16:32:46       -7.556789        3.7464
BFGS:    2 16:32:46       -7.866448        0.8656
BFGS:    3 16:32:46       -7.881568        0.8139
BFGS:    4 16:32:46       -7.894589        1.0355
BFGS:    5 16:32:46       -7.946960        1.8962
BFGS:    6 16:32:46       -8.025212        2.4590
BFGS:    7 16:32:46       -8.138536        2.7730
BFGS:    8 16:32:46       -8.278274        3.0151
BFGS:    9 16:32:46       -8.441336        3.2341
BFGS:   10 16:32:46       -8.623821        3.3698
BFGS:   11 16:32:46       -8.819143        3.3835
BFGS:   12 16:32:46       -9.018613        3.2694
BFGS:   13 16:32:46       -9.210615        3.0390
BFGS:   14 16:32:46       -9.378911        2.6911
BFGS:   15 16:32:46       -9.506150        2.1661
BFGS:   16 16:32:46       -9.582825        1.2985
BFGS:   17 16:32:46       -9.607315        0.3917
BFGS:   18 16:32:46       -9.608984        0.0958
BFGS:   19 16:32:46       -9.609083        0.0022
BFGS:   20 16:32:46       -9.609084        0.0000
BFGS:   21 16:32:46       -9.609084        0.0000
BFGS:   22 16:32:46       -9.609084        0.0000
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