element(s):
['Cu', 'Zr']
AFLOW prototype label:
AB3_tP4_123_a_ce
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.6201', '0.81967923']
model name:
EAM_Mendelev_2019_CuZr__MO_945018740343_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Zr', 'Zr']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]]
spacegroup =  123
cell =  [[4.6201, 0, 0], [0, 4.6201, 0], [0, 0, 3.787]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:18:35      -22.649890        0.6590
BFGS:    1 09:18:35      -22.657299        0.6105
BFGS:    2 09:18:35      -22.682784        0.3195
BFGS:    3 09:18:35      -22.688302        0.2111
BFGS:    4 09:18:35      -22.689730        0.2099
BFGS:    5 09:18:35      -22.703131        0.1321
BFGS:    6 09:18:35      -22.708140        0.0464
BFGS:    7 09:18:35      -22.708656        0.0104
BFGS:    8 09:18:35      -22.708687        0.0007
BFGS:    9 09:18:35      -22.708687        0.0001
BFGS:   10 09:18:35      -22.708687        0.0000
BFGS:   11 09:18:35      -22.708687        0.0000
BFGS:   12 09:18:35      -22.708687        0.0000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.419475748662586e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 1.94120839e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.552968736061698, 6.969947757995914e-38, 2.181061455535166e-32], [-1.329731889970838e-36, 4.552968736061696, -5.344706043692538e-18], [-8.148595827708624e-33, -4.420374051509941e-18, 3.968517651642587]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.41947575e-10 -3.41947575e-10 -3.65347062e-11  8.70660271e-26
  5.23912421e-31 -1.13198380e-46]
energy per atom =  -5.677171800811637
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0