element(s):
['Al', 'Au']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.2082']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Au']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.2082, 0, 0], [0, 3.2082, 0], [0, 0, 3.2082]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:40:55      -28.541371       19.8851
BFGS:    1 14:40:55      -31.558296       20.1709
BFGS:    2 14:40:55      -34.536459       19.2505
BFGS:    3 14:40:55      -37.202001       15.7758
BFGS:    4 14:40:55      -39.069893        8.2732
BFGS:    5 14:40:55      -39.352856        5.9545
BFGS:    6 14:40:55      -39.497108        1.0716
BFGS:    7 14:40:55      -39.502788        0.1087
BFGS:    8 14:40:55      -39.502846        0.0023
BFGS:    9 14:40:55      -39.502846        0.0000
BFGS:   10 14:40:55      -39.502846        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.681117293024602e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Au']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8350565619011956, -1.0032279155449687e-32, 4.192097718079285e-33], [-1.822641084833119e-32, 2.8350565619011956, -3.5552985464981024e-17], [3.758587157669949e-33, -3.5552985464981037e-17, 2.835056561901195]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.68111729e-11  1.68111729e-11  1.68111729e-11  2.63328116e-27
  1.48603787e-59 -8.80766553e-60]
energy per atom =  -19.751422784100942
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0