element(s):
['Cu', 'Zr']
AFLOW prototype label:
A5B_cF24_216_ae_c
Parameter names:
['a', 'x3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.8929', '0.62583382']
model name:
EAM_Mendelev_2019_CuZr__MO_945018740343_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Cu', 'Zr']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.62583382 0.62583382 0.62583382]
 [0.25       0.25       0.25      ]]
spacegroup =  216
cell =  [[6.8929, 0, 0], [0, 6.8929, 0], [0, 0, 6.8929]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:55:49      -93.758436        0.6043
BFGS:    1 16:55:50      -93.777291        0.5806
BFGS:    2 16:55:50      -93.855730        0.4402
BFGS:    3 16:55:50      -93.898561        0.2951
BFGS:    4 16:55:50      -93.924703        0.2503
BFGS:    5 16:55:50      -93.945510        0.2136
BFGS:    6 16:55:50      -93.963372        0.0830
BFGS:    7 16:55:50      -93.966378        0.0180
BFGS:    8 16:55:51      -93.966597        0.0021
BFGS:    9 16:55:51      -93.966600        0.0001
BFGS:   10 16:55:51      -93.966600        0.0000
BFGS:   11 16:55:51      -93.966600        0.0000
BFGS:   12 16:55:51      -93.966600        0.0000
Minimization converged after 12 steps.
Maximum force component: 2.1081082262419302e-11 eV/Angstrom
Maximum stress component: 3.237850868221072e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Zr', 'Zr', 'Zr', 'Zr']
basis =  [[1.29453275e-34 3.86251770e-34 1.29273032e-34]
 [3.85259478e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 8.45903803e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.07542282e-34]
 [6.25475989e-01 6.25475989e-01 6.25475989e-01]
 [3.74524011e-01 3.74524011e-01 6.25475989e-01]
 [3.74524011e-01 6.25475989e-01 3.74524011e-01]
 [6.25475989e-01 3.74524011e-01 3.74524011e-01]
 [6.25475989e-01 1.25475989e-01 1.25475989e-01]
 [3.74524011e-01 8.74524011e-01 1.25475989e-01]
 [3.74524011e-01 1.25475989e-01 8.74524011e-01]
 [6.25475989e-01 8.74524011e-01 8.74524011e-01]
 [1.25475989e-01 6.25475989e-01 1.25475989e-01]
 [8.74524011e-01 3.74524011e-01 1.25475989e-01]
 [8.74524011e-01 6.25475989e-01 8.74524011e-01]
 [1.25475989e-01 3.74524011e-01 8.74524011e-01]
 [1.25475989e-01 1.25475989e-01 6.25475989e-01]
 [8.74524011e-01 8.74524011e-01 6.25475989e-01]
 [8.74524011e-01 1.25475989e-01 3.74524011e-01]
 [1.25475989e-01 8.74524011e-01 3.74524011e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[6.830315470614601, -1.9732057928158194e-32, 6.565282266733009e-33], [9.859093208932173e-33, 6.830315470614601, -3.3139043706330156e-18], [1.4838371731048457e-32, -3.3139043706330233e-18, 6.830315470614601]])
forces =  [[-1.56072151e-62  3.48561280e-48 -7.18422513e-30]
 [-1.03699376e-62 -7.18422513e-30  3.48561280e-48]
 [ 1.56072151e-62 -3.48561280e-48  7.18422513e-30]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.10810823e-11  2.10810823e-11  2.10810823e-11]
 [-2.10810823e-11 -2.10810823e-11  2.10810823e-11]
 [-2.10810823e-11  2.10810823e-11 -2.10810823e-11]
 [ 2.10810823e-11 -2.10810823e-11 -2.10810823e-11]
 [ 2.10810823e-11  2.10810823e-11  2.10810823e-11]
 [-2.10810823e-11 -2.10810823e-11  2.10810823e-11]
 [-2.10810823e-11  2.10810823e-11 -2.10810823e-11]
 [ 2.10810823e-11 -2.10810823e-11 -2.10810823e-11]
 [ 2.10810823e-11  2.10810823e-11  2.10810823e-11]
 [-2.10810823e-11 -2.10810823e-11  2.10810823e-11]
 [-2.10810823e-11  2.10810823e-11 -2.10810823e-11]
 [ 2.10810823e-11 -2.10810823e-11 -2.10810823e-11]
 [ 2.10810823e-11  2.10810823e-11  2.10810823e-11]
 [-2.10810823e-11 -2.10810823e-11  2.10810823e-11]
 [-2.10810823e-11  2.10810823e-11 -2.10810823e-11]
 [ 2.10810823e-11 -2.10810823e-11 -2.10810823e-11]
 [ 1.63800333e-27  2.73000555e-28  1.93974078e-27]
 [-2.29895204e-28 -1.35063432e-27 -1.14947602e-28]
 [ 1.07763377e-27 -2.87369005e-28  1.70266136e-27]
 [-2.87369005e-28 -1.55179263e-27 -7.18422513e-28]]
stress =  [ 3.23785087e-11  3.23785087e-11  3.23785087e-11 -1.17711203e-26
 -5.05016611e-30  9.84331299e-46]
energy per atom =  -3.915274988469534
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0