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 15:48:40      -33.075174         1.070618
BFGS:    1 15:48:40      -33.137007         0.923589
BFGS:    2 15:48:40      -33.274935         0.441343
BFGS:    3 15:48:40      -33.317313         0.338547
BFGS:    4 15:48:40      -33.318953         0.325312
BFGS:    5 15:48:40      -33.332037         0.158985
BFGS:    6 15:48:40      -33.337492         0.159863
BFGS:    7 15:48:40      -33.338434         0.167811
BFGS:    8 15:48:40      -33.343906         0.186811
BFGS:    9 15:48:40      -33.351839         0.231391
BFGS:   10 15:48:40      -33.358772         0.215575
BFGS:   11 15:48:40      -33.363416         0.108748
BFGS:   12 15:48:40      -33.365105         0.004435
BFGS:   13 15:48:40      -33.365109         0.000191
BFGS:   14 15:48:40      -33.365109         0.000008
BFGS:   15 15:48:40      -33.365109         0.000000
BFGS:   16 15:48:40      -33.365109         0.000000
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