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 12:33:46       -6.775488         6.168033
BFGS:    1 12:33:46       -7.519299         3.635928
BFGS:    2 12:33:46       -7.819776         0.232711
BFGS:    3 12:33:46       -7.820859         0.021609
BFGS:    4 12:33:46       -7.820869         0.000078
BFGS:    5 12:33:46       -7.820869         0.000000
BFGS:    6 12:33:46       -7.820869         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.7249276335496666e-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, -2.2291948643307298e-32, -1.0216662241037098e-33], [-8.491430494064876e-33, 3.0151737733649417, 2.2108257069181015e-18], [4.1975413493233394e-33, 2.2108257069180965e-18, 3.0151737733649417]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.72492763e-14 -4.72492763e-14 -4.72492763e-14  1.49944302e-30
 -1.12983369e-34  6.44857478e-51]
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