element(s):
['Al', 'Cu']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8417']
model name:
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Cu', 'Cu']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.8417, 0, 0], [0, 5.8417, 0], [0, 0, 5.8417]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:51:48      -56.554754        1.2458
BFGS:    1 13:51:48      -56.620801        1.2279
BFGS:    2 13:51:48      -56.800274        1.1611
BFGS:    3 13:51:48      -56.967868        1.0701
BFGS:    4 13:51:48      -57.119649        0.9468
BFGS:    5 13:51:48      -57.250386        0.7931
BFGS:    6 13:51:48      -57.356780        0.6275
BFGS:    7 13:51:48      -57.443389        0.5308
BFGS:    8 13:51:48      -57.516511        0.4462
BFGS:    9 13:51:48      -57.574821        0.3263
BFGS:   10 13:51:48      -57.613996        0.1933
BFGS:   11 13:51:48      -57.632113        0.0460
BFGS:   12 13:51:48      -57.633128        0.0028
BFGS:   13 13:51:48      -57.633132        0.0000
BFGS:   14 13:51:48      -57.633132        0.0000
BFGS:   15 13:51:49      -57.633132        0.0000
Minimization converged after 15 steps.
Maximum force component: 1.566181195672287e-30 eV/Angstrom
Maximum stress component: 2.1285344588818757e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.36414787e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [9.69285360e-49 0.00000000e+00 5.00000000e-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]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.647276182073289, -1.0900076825005163e-33, 5.234953068911934e-34], [-6.8545014770606e-33, 5.647276182073289, 9.860234884795526e-18], [-8.706807294133301e-32, 9.860234884795623e-18, 5.647276182073289]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 5.80067110e-32 -1.04412080e-30  1.34285536e-30]
 [ 1.55167952e-31  1.12533019e-30  1.56618120e-30]
 [ 2.13899747e-31 -1.14853288e-30 -1.00931677e-30]
 [ 1.39216106e-31  1.31095167e-30  7.54087242e-31]
 [ 6.38073820e-32 -9.97715428e-31 -8.46897980e-31]
 [-1.21814093e-31  1.17463590e-30  5.80067110e-33]
 [-2.03023488e-31  1.10792818e-30  4.75655030e-31]
 [-1.10212751e-31 -9.16506033e-31  1.41826408e-30]]
stress =  [-2.12853446e-14 -2.12853446e-14 -2.12853446e-14 -1.08009190e-29
  1.16307855e-61  1.04794606e-62]
energy per atom =  -3.6020707220289734
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0