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 12:27:34      -37.802181        35.482061
BFGS:    1 12:27:34      -41.287174        12.806451
BFGS:    2 12:27:35      -41.979275         3.934372
BFGS:    3 12:27:35      -42.065380         0.716030
BFGS:    4 12:27:35      -42.068580         0.052829
BFGS:    5 12:27:35      -42.068598         0.000791
BFGS:    6 12:27:35      -42.068598         0.000001
BFGS:    7 12:27:35      -42.068598         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.916188562354059e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.425097261533743, -1.0063190807845102e-32, -8.856556472381351e-33], [-1.4884039905642886e-32, 3.425097261533743, 1.9618059377856585e-18], [1.3802928502208551e-33, 1.961805937785648e-18, 3.425097261533743]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.91618856e-13 -7.91618856e-13 -7.91618856e-13 -6.45680537e-29
 -4.09949802e-61  6.70018280e-61]
energy per atom =  -21.034298828402203
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0