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 03:12:25      -61.361524        3.0049
BFGS:    1 03:12:25      -61.515546        0.7506
BFGS:    2 03:12:25      -61.524024        0.0855
BFGS:    3 03:12:25      -61.524139        0.0017
BFGS:    4 03:12:25      -61.524139        0.0000
BFGS:    5 03:12:25      -61.524139        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5660979451214862e-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 3.27148041e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.679393011306282, -4.735279452695499e-33, 7.470814523797188e-34], [-1.3325475270474607e-33, 3.679393011306282, -1.4529336080408692e-19], [-6.977369218451191e-34, -1.4529336080408682e-19, 3.679393011306282]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.56609795e-11  1.56609795e-11  1.56609795e-11 -1.54012202e-29
  1.99166441e-34 -9.25058195e-53]
energy per atom =  -15.38103477773577
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0