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_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005
==== 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 15:41:52      -92.687084         0.481393
BFGS:    1 15:41:52      -92.696781         0.458561
BFGS:    2 15:41:52      -92.753178         0.293155
BFGS:    3 15:41:52      -92.784922         0.129361
BFGS:    4 15:41:52      -92.792791         0.011410
BFGS:    5 15:41:53      -92.792818         0.008279
BFGS:    6 15:41:53      -92.792846         0.000737
BFGS:    7 15:41:53      -92.792847         0.000123
BFGS:    8 15:41:53      -92.792847         0.000003
BFGS:    9 15:41:53      -92.792847         0.000000
BFGS:   10 15:41:53      -92.792847         0.000000
Minimization converged after 10 steps.
Maximum force component: 2.6018940989716446e-10 eV/Angstrom
Maximum stress component: 4.026026131496157e-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.        ]
 [0.62566409 0.62566409 0.62566409]
 [0.37433591 0.37433591 0.62566409]
 [0.37433591 0.62566409 0.37433591]
 [0.62566409 0.37433591 0.37433591]
 [0.62566409 0.12566409 0.12566409]
 [0.37433591 0.87433591 0.12566409]
 [0.37433591 0.12566409 0.87433591]
 [0.62566409 0.87433591 0.87433591]
 [0.12566409 0.62566409 0.12566409]
 [0.87433591 0.37433591 0.12566409]
 [0.87433591 0.62566409 0.87433591]
 [0.12566409 0.37433591 0.87433591]
 [0.12566409 0.12566409 0.62566409]
 [0.87433591 0.87433591 0.62566409]
 [0.87433591 0.12566409 0.37433591]
 [0.12566409 0.87433591 0.37433591]
 [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([[6.935173035567983, -1.4809507335874637e-33, -6.521081271050023e-33], [-7.10930565456437e-33, 6.935173035567983, -1.0428951688960711e-17], [-2.6033070876016235e-33, -1.0428951688960717e-17, 6.935173035567983]])
forces =  [[ 5.34266297e-33  5.34266297e-33  3.56177531e-33]
 [ 5.34266297e-33 -3.56177531e-33 -3.56177531e-33]
 [-3.56177531e-33  3.56177531e-33  5.34266297e-33]
 [ 3.56177531e-33 -3.56177531e-33  3.56177531e-33]
 [ 2.60189410e-10  2.60189410e-10  2.60189410e-10]
 [-2.60189410e-10 -2.60189410e-10  2.60189410e-10]
 [-2.60189410e-10  2.60189410e-10 -2.60189410e-10]
 [ 2.60189410e-10 -2.60189410e-10 -2.60189410e-10]
 [ 2.60189410e-10  2.60189410e-10  2.60189410e-10]
 [-2.60189410e-10 -2.60189410e-10  2.60189410e-10]
 [-2.60189410e-10  2.60189410e-10 -2.60189410e-10]
 [ 2.60189410e-10 -2.60189410e-10 -2.60189410e-10]
 [ 2.60189410e-10  2.60189410e-10  2.60189410e-10]
 [-2.60189410e-10 -2.60189410e-10  2.60189410e-10]
 [-2.60189410e-10  2.60189410e-10 -2.60189410e-10]
 [ 2.60189410e-10 -2.60189410e-10 -2.60189410e-10]
 [ 2.60189410e-10  2.60189410e-10  2.60189410e-10]
 [-2.60189410e-10 -2.60189410e-10  2.60189410e-10]
 [-2.60189410e-10  2.60189410e-10 -2.60189410e-10]
 [ 2.60189410e-10 -2.60189410e-10 -2.60189410e-10]
 [-5.69884050e-32 -5.98378252e-31 -5.69884050e-32]
 [-2.27953620e-31  2.56447822e-31 -3.13436227e-31]
 [ 2.56447822e-31 -4.55907240e-31 -1.42471012e-32]
 [ 2.35077171e-31  2.84942025e-31 -1.42471012e-31]]
stress =  [-4.02602613e-11 -4.02602613e-11 -4.02602613e-11 -6.51885017e-27
 -4.78182554e-60 -5.81621961e-60]
energy per atom =  -3.866368606162657
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0