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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_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 11:34:52      -14.295929         5.151166
BFGS:    1 11:34:52      -14.889998         2.499852
BFGS:    2 11:34:52      -14.957453         1.928675
BFGS:    3 11:34:52      -15.005566         0.284698
BFGS:    4 11:34:52      -15.006805         0.026849
BFGS:    5 11:34:52      -15.006816         0.000431
BFGS:    6 11:34:52      -15.006816         0.000001
BFGS:    7 11:34:52      -15.006816         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.023589670601987e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mn', 'Pd']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.052693275779704, -2.630537374137924e-32, -2.9411121332630337e-33], [-4.3028653882669115e-32, 3.052693275779704, 1.196301851376974e-17], [-2.3174958529423747e-32, 1.1963018513769758e-17, 3.052693275779704]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.02358967e-12  1.02358967e-12  1.02358967e-12 -2.44814013e-28
  8.81785312e-34 -1.55098396e-49]
energy per atom =  -7.503408187728193
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0