element(s):
['Cu', 'Zr']
AFLOW prototype label:
AB2_tI6_139_a_e
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.233', '3.4789978', '0.65461215']
model name:
EAM_Mendelev_2019_CuZr__MO_945018740343_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Zr']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.65461215]]
spacegroup =  139
cell =  [[3.233, 0, 0], [0, 3.233, 0], [0, 0, 11.2476]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:13:50      -33.075174         1.070618
BFGS:    1 13:13:50      -33.137007         0.923589
BFGS:    2 13:13:50      -33.274935         0.441343
BFGS:    3 13:13:50      -33.317313         0.338547
BFGS:    4 13:13:50      -33.318953         0.325312
BFGS:    5 13:13:50      -33.332037         0.158985
BFGS:    6 13:13:50      -33.337492         0.159863
BFGS:    7 13:13:50      -33.338434         0.167811
BFGS:    8 13:13:50      -33.343906         0.186811
BFGS:    9 13:13:50      -33.351839         0.231391
BFGS:   10 13:13:50      -33.358772         0.215575
BFGS:   11 13:13:50      -33.363416         0.108748
BFGS:   12 13:13:50      -33.365105         0.004435
BFGS:   13 13:13:50      -33.365109         0.000191
BFGS:   14 13:13:50      -33.365109         0.000008
BFGS:   15 13:13:50      -33.365109         0.000000
BFGS:   16 13:13:50      -33.365109         0.000000
Minimization converged after 16 steps.
Maximum force component: 1.6165238137538946e-09 eV/Angstrom
Maximum stress component: 4.820544957912052e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [1.98865695e-33 3.93200837e-33 6.44884880e-01]
 [0.00000000e+00 3.93200837e-33 3.55115120e-01]
 [5.00000000e-01 5.00000000e-01 1.44884880e-01]
 [5.00000000e-01 5.00000000e-01 8.55115120e-01]]
cellpar =  Cell([[3.1347724824783585, -5.910062304727519e-36, -9.184525916081168e-33], [-1.221939549628534e-35, 3.1347724824783576, 2.5775916690805273e-17], [2.9798256769657005e-34, 9.790112044082831e-17, 11.606928242959679]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 4.15007232e-44  1.36349161e-26  1.61652381e-09]
 [-4.15007232e-44 -1.36349161e-26 -1.61652381e-09]
 [ 4.15007232e-44  1.36349161e-26  1.61652381e-09]
 [-4.15007232e-44 -1.36349161e-26 -1.61652381e-09]]
stress =  [-1.75539814e-10 -1.75539814e-10 -4.82054496e-10 -1.78671917e-25
 -5.42022253e-33 -2.22812022e-48]
energy per atom =  -5.560851557158618
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0