element(s):
['Cu', 'Zr']
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:
['3.2717']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Zr']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.2717, 0, 0], [0, 3.2717, 0], [0, 0, 3.2717]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:29:37      -37.802181        35.482061
BFGS:    1 11:29:37      -41.287174        12.806451
BFGS:    2 11:29:37      -41.979275         3.934372
BFGS:    3 11:29:37      -42.065380         0.716030
BFGS:    4 11:29:37      -42.068580         0.052829
BFGS:    5 11:29:37      -42.068598         0.000791
BFGS:    6 11:29:37      -42.068598         0.000001
BFGS:    7 11:29:37      -42.068598         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.868719061655531e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.4250972615337436, -1.4157652226107296e-32, -1.3335450351982247e-32], [-2.0733983659402807e-32, 3.4250972615337436, 5.395549511403932e-19], [1.0369776574296354e-34, 5.395549511403886e-19, 3.4250972615337436]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.86871906e-13 -7.86871906e-13 -7.86871906e-13  5.21407366e-29
  1.22580512e-33  1.31623146e-52]
energy per atom =  -21.0342988284022
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0