element(s):
['Al', 'Au']
AFLOW prototype label:
A2B_cF12_225_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.0428']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Au']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[6.0428, 0, 0], [0, 6.0428, 0], [0, 0, 6.0428]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:57:13     -138.591136       11.9795
BFGS:    1 13:57:13     -140.369917       11.7308
BFGS:    2 13:57:14     -142.108270       11.4398
BFGS:    3 13:57:14     -143.799567       11.1028
BFGS:    4 13:57:14     -145.436605       10.7157
BFGS:    5 13:57:14     -147.011561       10.2743
BFGS:    6 13:57:14     -148.515942        9.7739
BFGS:    7 13:57:14     -149.940531        9.2095
BFGS:    8 13:57:14     -151.275332        8.5758
BFGS:    9 13:57:14     -152.509505        7.8668
BFGS:   10 13:57:14     -153.631302        7.0763
BFGS:   11 13:57:14     -154.627993        6.1975
BFGS:   12 13:57:14     -155.488641        5.2791
BFGS:   13 13:57:14     -156.201129        4.2028
BFGS:   14 13:57:14     -156.743875        3.0144
BFGS:   15 13:57:14     -157.099382        1.7047
BFGS:   16 13:57:14     -157.248707        0.2636
BFGS:   17 13:57:14     -157.252127        0.0150
BFGS:   18 13:57:14     -157.252138        0.0001
BFGS:   19 13:57:14     -157.252138        0.0000
BFGS:   20 13:57:14     -157.252138        0.0000
Minimization converged after 20 steps.
Maximum force component: 1.0043334878463197e-30 eV/Angstrom
Maximum stress component: 1.3735628917013494e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Au', 'Au', 'Au', 'Au']
basis =  [[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]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.94259124e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[5.635588199422664, 4.032950735053464e-32, -1.2032250904825474e-32], [4.035252689660107e-32, 5.635588199422664, -1.8760390289022555e-19], [7.369324538396455e-33, -1.8760390289024366e-19, 5.635588199422664]])
forces =  [[-1.15773313e-31  2.31546625e-31 -1.85237300e-31]
 [-7.12005873e-31 -7.52526533e-32 -7.52526533e-32]
 [ 4.63093251e-32  9.26186502e-32  3.70474601e-31]
 [-7.40949201e-31 -5.78866564e-32 -3.70474601e-31]
 [-2.72067285e-31  1.56293972e-31  3.06799279e-31]
 [-3.76263266e-32 -1.67871303e-31 -2.54701288e-31]
 [-1.85237300e-31  2.89433282e-33 -7.95941525e-31]
 [-2.05497630e-31  3.24165276e-31  1.00433349e-30]
 [ 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]]
stress =  [-1.37356289e-14 -1.37356289e-14 -1.37356289e-14 -2.27678865e-32
  4.09120496e-33  1.24648073e-51]
energy per atom =  -13.104344848304946
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0