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 15:05:02     -138.591136        11.979471
BFGS:    1 15:05:02     -140.369917        11.730840
BFGS:    2 15:05:03     -142.108270        11.439842
BFGS:    3 15:05:03     -143.799567        11.102789
BFGS:    4 15:05:03     -145.436605        10.715701
BFGS:    5 15:05:03     -147.011561        10.274282
BFGS:    6 15:05:03     -148.515942         9.773892
BFGS:    7 15:05:03     -149.940531         9.209527
BFGS:    8 15:05:03     -151.275332         8.575780
BFGS:    9 15:05:03     -152.509505         7.866819
BFGS:   10 15:05:03     -153.631302         7.076342
BFGS:   11 15:05:03     -154.627993         6.197549
BFGS:   12 15:05:04     -155.488641         5.279091
BFGS:   13 15:05:04     -156.201129         4.202794
BFGS:   14 15:05:04     -156.743875         3.014399
BFGS:   15 15:05:04     -157.099382         1.704657
BFGS:   16 15:05:04     -157.248707         0.263574
BFGS:   17 15:05:04     -157.252127         0.015044
BFGS:   18 15:05:04     -157.252138         0.000123
BFGS:   19 15:05:04     -157.252138         0.000000
BFGS:   20 15:05:04     -157.252138         0.000000
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