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 16:06:13     -138.591136        11.979471
BFGS:    1 16:06:13     -140.369917        11.730840
BFGS:    2 16:06:13     -142.108270        11.439842
BFGS:    3 16:06:13     -143.799567        11.102789
BFGS:    4 16:06:13     -145.436605        10.715701
BFGS:    5 16:06:13     -147.011561        10.274282
BFGS:    6 16:06:13     -148.515942         9.773892
BFGS:    7 16:06:13     -149.940531         9.209527
BFGS:    8 16:06:13     -151.275332         8.575780
BFGS:    9 16:06:13     -152.509505         7.866819
BFGS:   10 16:06:14     -153.631302         7.076342
BFGS:   11 16:06:14     -154.627993         6.197549
BFGS:   12 16:06:14     -155.488641         5.279091
BFGS:   13 16:06:14     -156.201129         4.202794
BFGS:   14 16:06:14     -156.743875         3.014399
BFGS:   15 16:06:14     -157.099382         1.704657
BFGS:   16 16:06:14     -157.248707         0.263574
BFGS:   17 16:06:14     -157.252127         0.015044
BFGS:   18 16:06:14     -157.252138         0.000123
BFGS:   19 16:06:14     -157.252138         0.000000
BFGS:   20 16:06:14     -157.252138         0.000000
Minimization converged after 20 steps.
Maximum force component: 1.8986823286086046e-30 eV/Angstrom
Maximum stress component: 1.31401536749464e-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]
 [4.85647809e-49 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([[5.635588199422665, 4.0179140267154685e-32, -9.882405992255125e-33], [3.9526489653462524e-32, 5.635588199422664, -7.873484336337753e-20], [3.233671618720624e-33, -7.873484336338705e-20, 5.635588199422664]])
forces =  [[-9.72495827e-31 -5.78866564e-31  1.12300113e-30]
 [ 1.89868233e-30  1.49347573e-30  5.96232561e-31]
 [-6.42541886e-31 -1.62082638e-30 -1.48189840e-30]
 [ 1.62082638e-30  1.64398104e-30 -1.11142380e-30]
 [ 1.85237300e-31 -8.79877177e-31  5.09402576e-31]
 [-7.46737867e-31  2.05497630e-31 -4.63093251e-32]
 [ 4.63093251e-32  1.53978506e-30  9.72495827e-31]
 [ 3.73368934e-31 -4.63093251e-31 -3.48224417e-32]
 [ 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 =  [-1.31401537e-14 -1.31401537e-14 -1.31401537e-14 -6.76759663e-32
 -7.77726258e-63  3.37231244e-63]
energy per atom =  -13.104344848304954
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0