element(s):
['Al', '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:
['3.0717']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Pd']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.0717, 0, 0], [0, 3.0717, 0], [0, 0, 3.0717]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:58:40      -26.633102        13.616152
BFGS:    1 15:58:40      -28.505981        10.995668
BFGS:    2 15:58:40      -29.797115         5.630979
BFGS:    3 15:58:40      -29.977548         4.141404
BFGS:    4 15:58:40      -30.080900         0.699169
BFGS:    5 15:58:40      -30.084438         0.067873
BFGS:    6 15:58:40      -30.084471         0.001305
BFGS:    7 15:58:40      -30.084471         0.000002
BFGS:    8 15:58:40      -30.084471         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.5339919518220346e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Pd']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8686696870590027, -8.421618285917222e-33, -7.374065798301588e-34], [-9.560676374269855e-33, 2.8686696870590027, -5.560429994463685e-18], [7.612936453654327e-33, -5.560429994463692e-18, 2.8686696870590027]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.53399195e-12  6.53399195e-12  6.53399195e-12 -3.61911510e-29
 -3.99418433e-33  3.02555475e-49]
energy per atom =  -15.042235316378074
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0