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 15:20:52      -14.295929        5.1512
BFGS:    1 15:20:52      -14.889998        2.4999
BFGS:    2 15:20:52      -14.957453        1.9287
BFGS:    3 15:20:52      -15.005566        0.2847
BFGS:    4 15:20:52      -15.006805        0.0268
BFGS:    5 15:20:52      -15.006816        0.0004
BFGS:    6 15:20:52      -15.006816        0.0000
BFGS:    7 15:20:52      -15.006816        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.027294595849653e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mn', 'Pd']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.052693275779705, -9.817858258793556e-33, -8.576440432489914e-33], [-8.034752722999396e-33, 3.052693275779705, 1.2295662354572439e-17], [6.479342008014596e-33, 1.2295662354572425e-17, 3.052693275779705]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.02729460e-12  1.02729460e-12  1.02729460e-12  8.61718365e-29
  2.91119894e-60 -3.06376481e-61]
energy per atom =  -7.503408187728192
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0