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_MendelevKramerOtt_2009_CuZr__MO_600021860456_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 16:56:13      -92.350928        0.0938
BFGS:    1 16:56:13      -92.352692        0.0701
BFGS:    2 16:56:13      -92.354933        0.0050
BFGS:    3 16:56:13      -92.354934        0.0049
BFGS:    4 16:56:13      -92.354951        0.0000
BFGS:    5 16:56:13      -92.354951        0.0000
BFGS:    6 16:56:13      -92.354951        0.0000
Minimization converged after 6 steps.
Maximum force component: 8.055854664534473e-12 eV/Angstrom
Maximum stress component: 3.846942346919886e-14 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 =  [[1.28395330e-34 2.56790659e-34 1.28361932e-34]
 [2.56790659e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.28772479e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.56890183e-34]
 [6.26276104e-01 6.26276104e-01 6.26276104e-01]
 [3.73723896e-01 3.73723896e-01 6.26276104e-01]
 [3.73723896e-01 6.26276104e-01 3.73723896e-01]
 [6.26276104e-01 3.73723896e-01 3.73723896e-01]
 [6.26276104e-01 1.26276104e-01 1.26276104e-01]
 [3.73723896e-01 8.73723896e-01 1.26276104e-01]
 [3.73723896e-01 1.26276104e-01 8.73723896e-01]
 [6.26276104e-01 8.73723896e-01 8.73723896e-01]
 [1.26276104e-01 6.26276104e-01 1.26276104e-01]
 [8.73723896e-01 3.73723896e-01 1.26276104e-01]
 [8.73723896e-01 6.26276104e-01 8.73723896e-01]
 [1.26276104e-01 3.73723896e-01 8.73723896e-01]
 [1.26276104e-01 1.26276104e-01 6.26276104e-01]
 [8.73723896e-01 8.73723896e-01 6.26276104e-01]
 [8.73723896e-01 1.26276104e-01 3.73723896e-01]
 [1.26276104e-01 8.73723896e-01 3.73723896e-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([[6.893812553188935, 8.758043343573034e-34, 1.4131527712742575e-34], [3.8743928589884296e-33, 6.893812553188935, 1.6632039280977133e-20], [-2.995078134923841e-34, 1.6632039280977248e-20, 6.893812553188935]])
forces =  [[ 1.98981579e-66  3.54053334e-33  8.54190466e-54]
 [ 3.54053334e-33  4.49796745e-67  7.25768864e-68]
 [-1.53821618e-67  8.54190466e-54  3.54053334e-33]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-8.05585466e-12 -8.05585466e-12 -8.05585466e-12]
 [ 8.05585466e-12  8.05585466e-12 -8.05585466e-12]
 [ 8.05585466e-12 -8.05585466e-12  8.05585466e-12]
 [-8.05585466e-12  8.05585466e-12  8.05585466e-12]
 [-8.05585466e-12 -8.05585466e-12 -8.05585466e-12]
 [ 8.05585466e-12  8.05585466e-12 -8.05585466e-12]
 [ 8.05585466e-12 -8.05585466e-12  8.05585466e-12]
 [-8.05585466e-12  8.05585466e-12  8.05585466e-12]
 [-8.05585466e-12 -8.05585466e-12 -8.05585466e-12]
 [ 8.05585466e-12  8.05585466e-12 -8.05585466e-12]
 [ 8.05585466e-12 -8.05585466e-12  8.05585466e-12]
 [-8.05585466e-12  8.05585466e-12  8.05585466e-12]
 [-8.05585466e-12 -8.05585466e-12 -8.05585466e-12]
 [ 8.05585466e-12  8.05585466e-12 -8.05585466e-12]
 [ 8.05585466e-12 -8.05585466e-12  8.05585466e-12]
 [-8.05585466e-12  8.05585466e-12  8.05585466e-12]
 [-1.20378134e-31 -5.66485334e-32 -9.82636304e-33]
 [-7.92194335e-32  2.05350934e-31 -1.99155000e-32]
 [-6.01890668e-32 -5.35505668e-32  7.78917335e-32]
 [ 3.54053334e-32  7.78917335e-32 -9.20538669e-32]]
stress =  [-3.84694235e-14 -3.84694235e-14 -3.84694235e-14 -1.78836635e-31
 -3.65640731e-64 -9.02118489e-64]
energy per atom =  -3.8481229482307557
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0