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 12:21:04      -92.687084         0.481393
BFGS:    1 12:21:05      -92.696781         0.458561
BFGS:    2 12:21:05      -92.753178         0.293155
BFGS:    3 12:21:05      -92.784922         0.129361
BFGS:    4 12:21:06      -92.792791         0.011410
BFGS:    5 12:21:06      -92.792818         0.008279
BFGS:    6 12:21:06      -92.792846         0.000737
BFGS:    7 12:21:07      -92.792847         0.000123
BFGS:    8 12:21:07      -92.792847         0.000003
BFGS:    9 12:21:07      -92.792847         0.000000
BFGS:   10 12:21:07      -92.792847         0.000000
Minimization converged after 10 steps.
Maximum force component: 2.601993667736945e-10 eV/Angstrom
Maximum stress component: 4.026187987088944e-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 1.28403166e-34 0.00000000e+00]
 [1.28409997e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.11081868e-34]
 [6.25664086e-01 6.25664086e-01 6.25664086e-01]
 [3.74335914e-01 3.74335914e-01 6.25664086e-01]
 [3.74335914e-01 6.25664086e-01 3.74335914e-01]
 [6.25664086e-01 3.74335914e-01 3.74335914e-01]
 [6.25664086e-01 1.25664086e-01 1.25664086e-01]
 [3.74335914e-01 8.74335914e-01 1.25664086e-01]
 [3.74335914e-01 1.25664086e-01 8.74335914e-01]
 [6.25664086e-01 8.74335914e-01 8.74335914e-01]
 [1.25664086e-01 6.25664086e-01 1.25664086e-01]
 [8.74335914e-01 3.74335914e-01 1.25664086e-01]
 [8.74335914e-01 6.25664086e-01 8.74335914e-01]
 [1.25664086e-01 3.74335914e-01 8.74335914e-01]
 [1.25664086e-01 1.25664086e-01 6.25664086e-01]
 [8.74335914e-01 8.74335914e-01 6.25664086e-01]
 [8.74335914e-01 1.25664086e-01 3.74335914e-01]
 [1.25664086e-01 8.74335914e-01 3.74335914e-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([[6.935173035567981, -4.739203515963916e-33, -2.0656284697482227e-34], [3.3326288038043076e-33, 6.935173035567981, -1.0413675425336445e-17], [1.591374553974886e-32, -1.041367542533645e-17, 6.935173035567981]])
forces =  [[-7.12355062e-33 -7.12355062e-33 -7.12355062e-33]
 [-7.12355062e-33 -7.12355062e-33  7.12355062e-33]
 [ 7.12355062e-33 -7.12355062e-33 -7.12355062e-33]
 [-7.12355062e-33  7.12355062e-33 -7.12355062e-33]
 [ 2.60199367e-10  2.60199367e-10  2.60199367e-10]
 [-2.60199367e-10 -2.60199367e-10  2.60199367e-10]
 [-2.60199367e-10  2.60199367e-10 -2.60199367e-10]
 [ 2.60199367e-10 -2.60199367e-10 -2.60199367e-10]
 [ 2.60199367e-10  2.60199367e-10  2.60199367e-10]
 [-2.60199367e-10 -2.60199367e-10  2.60199367e-10]
 [-2.60199367e-10  2.60199367e-10 -2.60199367e-10]
 [ 2.60199367e-10 -2.60199367e-10 -2.60199367e-10]
 [ 2.60199367e-10  2.60199367e-10  2.60199367e-10]
 [-2.60199367e-10 -2.60199367e-10  2.60199367e-10]
 [-2.60199367e-10  2.60199367e-10 -2.60199367e-10]
 [ 2.60199367e-10 -2.60199367e-10 -2.60199367e-10]
 [ 2.60199367e-10  2.60199367e-10  2.60199367e-10]
 [-2.60199367e-10 -2.60199367e-10  2.60199367e-10]
 [-2.60199367e-10  2.60199367e-10 -2.60199367e-10]
 [ 2.60199367e-10 -2.60199367e-10 -2.60199367e-10]
 [-6.69613759e-31  2.84942025e-31  4.84401442e-31]
 [ 5.69884050e-32  4.55907240e-31 -8.54826075e-32]
 [ 1.42471012e-31  7.12355062e-31  3.41930430e-31]
 [ 3.41930430e-31  5.41389847e-31  5.69884050e-31]]
stress =  [-4.02618799e-11 -4.02618799e-11 -4.02618799e-11  2.93839028e-27
  2.58140242e-59  8.33099438e-60]
energy per atom =  -3.866368606162658
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0