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 15:41:28      -93.758436         0.604271
BFGS:    1 15:41:28      -93.777291         0.580564
BFGS:    2 15:41:28      -93.855730         0.440174
BFGS:    3 15:41:28      -93.898561         0.295083
BFGS:    4 15:41:28      -93.924703         0.250337
BFGS:    5 15:41:28      -93.945510         0.213592
BFGS:    6 15:41:28      -93.963372         0.082998
BFGS:    7 15:41:28      -93.966378         0.017979
BFGS:    8 15:41:28      -93.966597         0.002136
BFGS:    9 15:41:28      -93.966600         0.000105
BFGS:   10 15:41:28      -93.966600         0.000004
BFGS:   11 15:41:28      -93.966600         0.000000
BFGS:   12 15:41:28      -93.966600         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.6636493890578457e-11 eV/Angstrom
Maximum stress component: 3.4267028680544055e-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 =  [[0.         0.         0.        ]
 [0.         0.5        0.5       ]
 [0.5        0.         0.5       ]
 [0.5        0.5        0.        ]
 [0.62547599 0.62547599 0.62547599]
 [0.37452401 0.37452401 0.62547599]
 [0.37452401 0.62547599 0.37452401]
 [0.62547599 0.37452401 0.37452401]
 [0.62547599 0.12547599 0.12547599]
 [0.37452401 0.87452401 0.12547599]
 [0.37452401 0.12547599 0.87452401]
 [0.62547599 0.87452401 0.87452401]
 [0.12547599 0.62547599 0.12547599]
 [0.87452401 0.37452401 0.12547599]
 [0.87452401 0.62547599 0.87452401]
 [0.12547599 0.37452401 0.87452401]
 [0.12547599 0.12547599 0.62547599]
 [0.87452401 0.87452401 0.62547599]
 [0.87452401 0.12547599 0.37452401]
 [0.12547599 0.87452401 0.37452401]
 [0.25       0.25       0.25      ]
 [0.75       0.75       0.25      ]
 [0.75       0.25       0.75      ]
 [0.25       0.75       0.75      ]]
cellpar =  Cell([[6.830315470614008, -8.455960155159384e-33, -4.445504921917146e-33], [1.806183641854528e-33, 6.830315470614008, -2.247127797870655e-18], [1.115687940097941e-33, -2.247127797870664e-18, 6.830315470614008]])
forces =  [[ 1.07763377e-29  2.87369005e-29  2.69408442e-29]
 [ 5.95064152e-63  2.69408442e-29 -7.18422513e-30]
 [ 1.11195713e-62  2.87369005e-29  2.15526754e-29]
 [ 3.59211256e-30  2.87369005e-29  2.87369005e-29]
 [ 1.66364939e-11  1.66364939e-11  1.66364939e-11]
 [-1.66364939e-11 -1.66364939e-11  1.66364939e-11]
 [-1.66364939e-11  1.66364939e-11 -1.66364939e-11]
 [ 1.66364939e-11 -1.66364939e-11 -1.66364939e-11]
 [ 1.66364939e-11  1.66364939e-11  1.66364939e-11]
 [-1.66364939e-11 -1.66364939e-11  1.66364939e-11]
 [-1.66364939e-11  1.66364939e-11 -1.66364939e-11]
 [ 1.66364939e-11 -1.66364939e-11 -1.66364939e-11]
 [ 1.66364939e-11  1.66364939e-11  1.66364939e-11]
 [-1.66364939e-11 -1.66364939e-11  1.66364939e-11]
 [-1.66364939e-11  1.66364939e-11 -1.66364939e-11]
 [ 1.66364939e-11 -1.66364939e-11 -1.66364939e-11]
 [ 1.66364939e-11  1.66364939e-11  1.66364939e-11]
 [-1.66364939e-11 -1.66364939e-11  1.66364939e-11]
 [-1.66364939e-11  1.66364939e-11 -1.66364939e-11]
 [ 1.66364939e-11 -1.66364939e-11 -1.66364939e-11]
 [ 2.01158304e-28 -1.58052953e-27 -2.01158304e-28]
 [ 1.95410923e-27  1.63710530e-27 -9.77054617e-28]
 [-5.74738010e-28 -1.83916163e-27 -6.73521106e-29]
 [ 1.32189742e-27  9.19580816e-28 -7.75896314e-28]]
stress =  [ 3.42670287e-11  3.42670287e-11  3.42670287e-11 -6.73547858e-27
 -7.21452301e-31  6.03942231e-47]
energy per atom =  -3.915274988474407
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0