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_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 =  221
cell =  [[3.1791, 0, 0], [0, 3.1791, 0], [0, 0, 3.1791]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:20:45       -6.775489        6.1683
BFGS:    1 15:20:45       -7.519302        3.6349
BFGS:    2 15:20:45       -7.819781        0.2329
BFGS:    3 15:20:45       -7.820859        0.0232
BFGS:    4 15:20:45       -7.820870        0.0000
BFGS:    5 15:20:45       -7.820870        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.830268274589251e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mn', 'Pd']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.0151949398273232, 4.455191965690283e-33, 1.2664631863313243e-34], [9.202559840157328e-34, 3.0151949398273232, 6.56721591171511e-19], [-2.4875843126875872e-34, 6.5672159117150995e-19, 3.0151949398273232]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [4.83026827e-10 4.83026827e-10 4.83026827e-10 2.97248082e-27
 4.51927130e-34 3.06855266e-51]
energy per atom =  -3.9104349326505607
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0