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 13:47:48      -33.075174        1.0706
BFGS:    1 13:47:49      -33.137007        0.9236
BFGS:    2 13:47:49      -33.274935        0.4413
BFGS:    3 13:47:49      -33.317313        0.3385
BFGS:    4 13:47:49      -33.318953        0.3253
BFGS:    5 13:47:49      -33.332037        0.1590
BFGS:    6 13:47:49      -33.337492        0.1599
BFGS:    7 13:47:49      -33.338434        0.1678
BFGS:    8 13:47:49      -33.343906        0.1868
BFGS:    9 13:47:49      -33.351839        0.2314
BFGS:   10 13:47:49      -33.358772        0.2156
BFGS:   11 13:47:49      -33.363416        0.1087
BFGS:   12 13:47:49      -33.365105        0.0044
BFGS:   13 13:47:49      -33.365109        0.0002
BFGS:   14 13:47:49      -33.365109        0.0000
BFGS:   15 13:47:49      -33.365109        0.0000
BFGS:   16 13:47:49      -33.365109        0.0000
Minimization converged after 16 steps.
Maximum force component: 1.6142693277476068e-09 eV/Angstrom
Maximum stress component: 4.819274740445407e-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]
 [3.48510565e-34 0.00000000e+00 6.44884880e-01]
 [0.00000000e+00 0.00000000e+00 3.55115120e-01]
 [5.00000000e-01 5.00000000e-01 1.44884880e-01]
 [5.00000000e-01 5.00000000e-01 8.55115120e-01]]
cellpar =  Cell([[3.134772482480099, -4.1608738685778827e-35, -3.4150734042259456e-32], [-2.1361967857413034e-35, 3.1347724824800998, 4.36100150553955e-17], [8.2547641493252e-33, 1.5748296698813752e-16, 11.606928242960574]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-7.91327827e-29  2.18529711e-26  1.61426933e-09]
 [ 7.91327827e-29 -2.17342720e-26 -1.61426933e-09]
 [-7.91327827e-29  2.18035132e-26  1.61426933e-09]
 [ 7.91327827e-29 -2.17936216e-26 -1.61426933e-09]]
stress =  [-1.75553967e-10 -1.75553967e-10 -4.81927474e-10  6.67317937e-25
 -5.55030787e-30  7.46099328e-45]
energy per atom =  -5.5608515571556785
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0