element(s):
['Cu', 'Pd']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7121']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Pd']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.7121, 0, 0], [0, 3.7121, 0], [0, 0, 3.7121]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:29:00      -61.361524         3.004934
BFGS:    1 09:29:00      -61.515546         0.750589
BFGS:    2 09:29:00      -61.524024         0.085521
BFGS:    3 09:29:00      -61.524139         0.001731
BFGS:    4 09:29:00      -61.524139         0.000004
BFGS:    5 09:29:00      -61.524139         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5658063366752733e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Pd']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.27148041e-36]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.6793930113062814, 1.256880570634553e-32, 7.209224692533803e-34], [1.178511447005532e-32, 3.6793930113062814, -1.4539649129387703e-19], [3.4462413806278672e-34, -1.4539649129387689e-19, 3.6793930113062814]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.56580634e-11  1.56580634e-11  1.56580634e-11  1.92051690e-28
 -4.85586752e-33 -2.78622227e-50]
energy per atom =  -15.381034777735781
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0