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:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== 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 13:16:07      -52.669049         0.620678
BFGS:    1 13:16:08      -52.685367         0.606197
BFGS:    2 13:16:08      -52.770238         0.525753
BFGS:    3 13:16:08      -52.843194         0.447330
BFGS:    4 13:16:08      -52.904535         0.370868
BFGS:    5 13:16:08      -52.954549         0.296297
BFGS:    6 13:16:09      -52.993515         0.223539
BFGS:    7 13:16:09      -53.021697         0.152499
BFGS:    8 13:16:09      -53.039345         0.083063
BFGS:    9 13:16:10      -53.046689         0.015088
BFGS:   10 13:16:11      -53.046943         0.000181
BFGS:   11 13:16:11      -53.046943         0.000000
BFGS:   12 13:16:12      -53.046943         0.000000
Minimization converged after 12 steps.
Maximum force component: 8.212168123468435e-32 eV/Angstrom
Maximum stress component: 7.328580316333086e-13 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 4.81877533e-35]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 6.42503377e-35]
 [0.00000000e+00 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([[5.995081159823551, 2.262581470563596e-33, -2.8289886452803535e-33], [1.6598358045136068e-32, 5.995081159823551, 8.5532370110826e-19], [8.570617921612393e-34, 8.553237011082697e-19, 5.995081159823551]])
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]
 [-2.00132510e-32  1.69342893e-32 -1.55872435e-32]
 [ 7.69740422e-34 -3.77172807e-32 -3.00198764e-32]
 [ 2.00132510e-32  2.84803956e-32 -4.23357232e-32]
 [ 6.15792337e-33 -4.34903338e-32  4.23357232e-32]
 [ 5.46515699e-32  3.07896169e-32  1.61645489e-32]
 [-1.53948084e-33 -3.21366626e-32  6.15792337e-33]
 [ 1.23158467e-32 -3.14631397e-32 -3.42534488e-32]
 [ 4.19508530e-32  2.77106552e-32 -8.21216812e-32]]
stress =  [-7.32858032e-13 -7.32858032e-13 -7.32858032e-13 -1.43069882e-29
  1.14316540e-34  3.11736599e-51]
energy per atom =  -3.31543391644584
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0