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_BorovikovMendelevKing_2016_CuZr__MO_097471813275_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 16:44:07      -95.500847         0.313007
BFGS:    1 16:44:08      -95.506099         0.307911
BFGS:    2 16:44:08      -95.541072         0.245904
BFGS:    3 16:44:09      -95.555727         0.211174
BFGS:    4 16:44:09      -95.576510         0.230681
BFGS:    5 16:44:09      -95.596482         0.182342
BFGS:    6 16:44:10      -95.609362         0.054124
BFGS:    7 16:44:10      -95.610400         0.012997
BFGS:    8 16:44:10      -95.610531         0.000763
BFGS:    9 16:44:11      -95.610531         0.000063
BFGS:   10 16:44:11      -95.610531         0.000002
BFGS:   11 16:44:11      -95.610531         0.000000
BFGS:   12 16:44:12      -95.610531         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.8684292177167658e-10 eV/Angstrom
Maximum stress component: 1.2386340306517926e-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.        ]
 [0.62625243 0.62625243 0.62625243]
 [0.37374757 0.37374757 0.62625243]
 [0.37374757 0.62625243 0.37374757]
 [0.62625243 0.37374757 0.37374757]
 [0.62625243 0.12625243 0.12625243]
 [0.37374757 0.87374757 0.12625243]
 [0.37374757 0.12625243 0.87374757]
 [0.62625243 0.87374757 0.87374757]
 [0.12625243 0.62625243 0.12625243]
 [0.87374757 0.37374757 0.12625243]
 [0.87374757 0.62625243 0.87374757]
 [0.12625243 0.37374757 0.87374757]
 [0.12625243 0.12625243 0.62625243]
 [0.87374757 0.87374757 0.62625243]
 [0.87374757 0.12625243 0.37374757]
 [0.12625243 0.87374757 0.37374757]
 [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([[6.827875891884938, -2.5491645307938968e-33, -9.010681147403088e-35], [-6.999076285158279e-33, 6.827875891884938, 9.58956030789745e-18], [-3.400890512988281e-33, 9.589560307897454e-18, 6.827875891884938]])
forces =  [[-7.18918965e-66  7.01333901e-33  9.85003805e-51]
 [ 7.01333901e-33  7.01333901e-33  1.40266780e-32]
 [-3.49326767e-66  9.85003805e-51  7.01333901e-33]
 [ 1.05200085e-32 -3.50666950e-33  1.05200085e-32]
 [ 1.86842922e-10  1.86842922e-10  1.86842922e-10]
 [-1.86842922e-10 -1.86842922e-10  1.86842922e-10]
 [-1.86842922e-10  1.86842922e-10 -1.86842922e-10]
 [ 1.86842922e-10 -1.86842922e-10 -1.86842922e-10]
 [ 1.86842922e-10  1.86842922e-10  1.86842922e-10]
 [-1.86842922e-10 -1.86842922e-10  1.86842922e-10]
 [-1.86842922e-10  1.86842922e-10 -1.86842922e-10]
 [ 1.86842922e-10 -1.86842922e-10 -1.86842922e-10]
 [ 1.86842922e-10  1.86842922e-10  1.86842922e-10]
 [-1.86842922e-10 -1.86842922e-10  1.86842922e-10]
 [-1.86842922e-10  1.86842922e-10 -1.86842922e-10]
 [ 1.86842922e-10 -1.86842922e-10 -1.86842922e-10]
 [ 1.86842922e-10  1.86842922e-10  1.86842922e-10]
 [-1.86842922e-10 -1.86842922e-10  1.86842922e-10]
 [-1.86842922e-10  1.86842922e-10 -1.86842922e-10]
 [ 1.86842922e-10 -1.86842922e-10 -1.86842922e-10]
 [-2.55986874e-31 -1.96373492e-31  1.82346814e-31]
 [-1.68320136e-31  1.68320136e-31 -5.61067121e-31]
 [-4.20800340e-32 -2.24426848e-31  1.94620157e-31]
 [ 2.77026891e-31  1.08487588e-31 -4.60663022e-31]]
stress =  [ 1.23863403e-11  1.23863403e-11  1.23863403e-11  1.16958176e-27
 -3.30490694e-35 -4.16130241e-51]
energy per atom =  -3.9837721393374665
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0