element(s):
['Mn', '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:
['3.1791']
model name:
EAM_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mn', 'Pd']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.1791, 0, 0], [0, 3.1791, 0], [0, 0, 3.1791]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:20:57       -6.775488        6.1680
BFGS:    1 15:20:57       -7.519299        3.6359
BFGS:    2 15:20:57       -7.819776        0.2327
BFGS:    3 15:20:57       -7.820859        0.0216
BFGS:    4 15:20:57       -7.820869        0.0001
BFGS:    5 15:20:57       -7.820869        0.0000
BFGS:    6 15:20:57       -7.820869        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.724927633549668e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mn', 'Pd']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.0151737733649417, -1.3945668150449453e-32, 8.88998384230306e-34], [6.497808740100538e-33, 3.0151737733649417, 2.2108257421770143e-18], [7.6263576502141525e-34, 2.2108257421770147e-18, 3.0151737733649417]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.72492763e-14 -4.72492763e-14 -4.72492763e-14  2.61937270e-30
 -1.12983369e-34  5.74172162e-52]
energy per atom =  -3.9084519342515467
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0