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 12:20:51      -95.500847         0.313007
BFGS:    1 12:20:52      -95.506099         0.307911
BFGS:    2 12:20:52      -95.541072         0.245904
BFGS:    3 12:20:52      -95.555727         0.211174
BFGS:    4 12:20:53      -95.576510         0.230681
BFGS:    5 12:20:53      -95.596482         0.182342
BFGS:    6 12:20:53      -95.609362         0.054124
BFGS:    7 12:20:54      -95.610400         0.012997
BFGS:    8 12:20:54      -95.610531         0.000763
BFGS:    9 12:20:54      -95.610531         0.000063
BFGS:   10 12:20:55      -95.610531         0.000002
BFGS:   11 12:20:55      -95.610531         0.000000
BFGS:   12 12:20:55      -95.610531         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.8684072648419983e-10 eV/Angstrom
Maximum stress component: 1.2386486140760201e-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, -1.0276579163472651e-32, -1.7438833083889706e-34], [9.62368444098899e-33, 6.827875891884938, 4.050293666126153e-18], [-6.93475859972428e-33, 4.050293666126156e-18, 6.827875891884938]])
forces =  [[-7.01333901e-33  1.05200085e-32 -1.05200085e-32]
 [-3.50666950e-33  1.05200085e-32 -1.05200085e-32]
 [-3.50666950e-33 -7.01333901e-33 -7.01333901e-33]
 [ 7.01333901e-33  7.01333901e-33 -7.01333901e-33]
 [ 1.86840726e-10  1.86840726e-10  1.86840726e-10]
 [-1.86840726e-10 -1.86840726e-10  1.86840726e-10]
 [-1.86840726e-10  1.86840726e-10 -1.86840726e-10]
 [ 1.86840726e-10 -1.86840726e-10 -1.86840726e-10]
 [ 1.86840726e-10  1.86840726e-10  1.86840726e-10]
 [-1.86840726e-10 -1.86840726e-10  1.86840726e-10]
 [-1.86840726e-10  1.86840726e-10 -1.86840726e-10]
 [ 1.86840726e-10 -1.86840726e-10 -1.86840726e-10]
 [ 1.86840726e-10  1.86840726e-10  1.86840726e-10]
 [-1.86840726e-10 -1.86840726e-10  1.86840726e-10]
 [-1.86840726e-10  1.86840726e-10 -1.86840726e-10]
 [ 1.86840726e-10 -1.86840726e-10 -1.86840726e-10]
 [ 1.86840726e-10  1.86840726e-10  1.86840726e-10]
 [-1.86840726e-10 -1.86840726e-10  1.86840726e-10]
 [-1.86840726e-10  1.86840726e-10 -1.86840726e-10]
 [ 1.86840726e-10 -1.86840726e-10 -1.86840726e-10]
 [-2.80533560e-31 -1.68320136e-31  2.80533560e-32]
 [ 8.97707393e-31 -3.08586916e-31 -5.61067121e-32]
 [-1.29045438e-30 -2.52480204e-31 -5.26000425e-32]
 [ 9.11734071e-31 -8.97707393e-31  7.01333901e-33]]
stress =  [ 1.23864861e-11  1.23864861e-11  1.23864861e-11  5.56917062e-27
 -2.20327130e-35 -2.14199581e-51]
energy per atom =  -3.9837721393374657
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0