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 13:16:13      -56.554754         1.245760
BFGS:    1 13:16:14      -56.620801         1.227850
BFGS:    2 13:16:14      -56.800274         1.161091
BFGS:    3 13:16:15      -56.967868         1.070104
BFGS:    4 13:16:15      -57.119649         0.946805
BFGS:    5 13:16:16      -57.250386         0.793058
BFGS:    6 13:16:16      -57.356780         0.627480
BFGS:    7 13:16:16      -57.443389         0.530837
BFGS:    8 13:16:17      -57.516511         0.446154
BFGS:    9 13:16:17      -57.574821         0.326260
BFGS:   10 13:16:18      -57.613996         0.193305
BFGS:   11 13:16:18      -57.632113         0.045970
BFGS:   12 13:16:19      -57.633128         0.002799
BFGS:   13 13:16:19      -57.633132         0.000035
BFGS:   14 13:16:19      -57.633132         0.000000
BFGS:   15 13:16:20      -57.633132         0.000000
Minimization converged after 15 steps.
Maximum force component: 6.786785181246577e-31 eV/Angstrom
Maximum stress component: 2.1399354495620236e-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]
 [1.21160670e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.36414787e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [2.42321340e-49 5.00000000e-01 0.00000000e+00]
 [2.42321340e-49 2.04622181e-34 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, -2.8262100838286333e-32, -1.6760642055236394e-32], [-1.5154165183954182e-32, 5.647276182073289, 5.926533238654208e-18], [2.3546008271568447e-32, 5.9265332386541745e-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]
 [ 1.45016777e-32 -6.78678518e-31 -1.65319126e-31]
 [ 8.66475245e-32  5.46713251e-31  1.49367281e-31]
 [ 5.25685818e-32 -5.48163418e-31  4.52452345e-31]
 [-2.32026844e-32  5.96744039e-31  1.33415435e-31]
 [ 7.54087242e-32 -5.33661741e-31 -1.16013422e-31]
 [-1.99398069e-33  6.65627008e-31  7.83090598e-32]
 [-4.93057043e-32  6.19221639e-31 -3.35351298e-32]
 [ 4.16923235e-32 -4.00246306e-31 -1.76920468e-31]]
stress =  [-2.13993545e-14 -2.13993545e-14 -2.13993545e-14  8.01699127e-31
 -9.77763873e-62 -9.44101468e-63]
energy per atom =  -3.602070722028973
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0