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_Dynamo_MendelevSunZhang_2019_CuZr__MO_609260676108_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 16:56:15      -93.706474        0.6003
BFGS:    1 16:56:15      -93.724944        0.5768
BFGS:    2 16:56:15      -93.802698        0.4366
BFGS:    3 16:56:15      -93.845447        0.2917
BFGS:    4 16:56:15      -93.871267        0.2464
BFGS:    5 16:56:15      -93.891234        0.2106
BFGS:    6 16:56:15      -93.908572        0.0825
BFGS:    7 16:56:15      -93.911545        0.0180
BFGS:    8 16:56:15      -93.911765        0.0022
BFGS:    9 16:56:15      -93.911767        0.0001
BFGS:   10 16:56:15      -93.911767        0.0000
BFGS:   11 16:56:15      -93.911767        0.0000
BFGS:   12 16:56:15      -93.911767        0.0000
Minimization converged after 12 steps.
Maximum force component: 1.8003056946779858e-11 eV/Angstrom
Maximum stress component: 3.46918077088589e-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 =  [[0.00000000e+00 2.56790537e-34 0.00000000e+00]
 [2.56801676e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.46708295e-34]
 [6.25489608e-01 6.25489608e-01 6.25489608e-01]
 [3.74510392e-01 3.74510392e-01 6.25489608e-01]
 [3.74510392e-01 6.25489608e-01 3.74510392e-01]
 [6.25489608e-01 3.74510392e-01 3.74510392e-01]
 [6.25489608e-01 1.25489608e-01 1.25489608e-01]
 [3.74510392e-01 8.74510392e-01 1.25489608e-01]
 [3.74510392e-01 1.25489608e-01 8.74510392e-01]
 [6.25489608e-01 8.74510392e-01 8.74510392e-01]
 [1.25489608e-01 6.25489608e-01 1.25489608e-01]
 [8.74510392e-01 3.74510392e-01 1.25489608e-01]
 [8.74510392e-01 6.25489608e-01 8.74510392e-01]
 [1.25489608e-01 3.74510392e-01 8.74510392e-01]
 [1.25489608e-01 1.25489608e-01 6.25489608e-01]
 [8.74510392e-01 8.74510392e-01 6.25489608e-01]
 [8.74510392e-01 1.25489608e-01 3.74510392e-01]
 [1.25489608e-01 8.74510392e-01 3.74510392e-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([[6.83069330615512, 5.449869619320823e-33, -2.8941775733197062e-34], [-5.709532495645267e-33, 6.83069330615512, -7.82915694739748e-19], [-3.403981334053263e-33, -7.829156947397468e-19, 6.83069330615512]])
forces =  [[ 1.40324659e-32 -1.60836350e-51  1.40324659e-32]
 [ 6.99288489e-66  1.60836350e-51 -1.40324659e-32]
 [ 7.01623295e-33  1.40324659e-32 -1.60836350e-51]
 [-3.50811647e-33  1.05243494e-32 -3.50811647e-33]
 [ 1.80030569e-11  1.80030569e-11  1.80030569e-11]
 [-1.80030569e-11 -1.80030569e-11  1.80030569e-11]
 [-1.80030569e-11  1.80030569e-11 -1.80030569e-11]
 [ 1.80030569e-11 -1.80030569e-11 -1.80030569e-11]
 [ 1.80030569e-11  1.80030569e-11  1.80030569e-11]
 [-1.80030569e-11 -1.80030569e-11  1.80030569e-11]
 [-1.80030569e-11  1.80030569e-11 -1.80030569e-11]
 [ 1.80030569e-11 -1.80030569e-11 -1.80030569e-11]
 [ 1.80030569e-11  1.80030569e-11  1.80030569e-11]
 [-1.80030569e-11 -1.80030569e-11  1.80030569e-11]
 [-1.80030569e-11  1.80030569e-11 -1.80030569e-11]
 [ 1.80030569e-11 -1.80030569e-11 -1.80030569e-11]
 [ 1.80030569e-11  1.80030569e-11  1.80030569e-11]
 [-1.80030569e-11 -1.80030569e-11  1.80030569e-11]
 [-1.80030569e-11  1.80030569e-11 -1.80030569e-11]
 [ 1.80030569e-11 -1.80030569e-11 -1.80030569e-11]
 [-1.12259727e-31  7.57753158e-31 -8.68516290e-50]
 [-5.33233704e-31 -9.47191448e-31 -2.24519454e-31]
 [-5.89363568e-31  2.66616852e-31  4.20973977e-32]
 [-5.19201238e-31 -5.61298636e-31 -4.77103841e-31]]
stress =  [ 3.46918077e-11  3.46918077e-11  3.46918077e-11 -7.97402465e-27
 -8.80581653e-35  1.60619304e-52]
energy per atom =  -3.912990305254405
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0