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 16:59:32      -28.541371        19.885146
BFGS:    1 16:59:32      -31.558296        20.170933
BFGS:    2 16:59:32      -34.536459        19.250460
BFGS:    3 16:59:33      -37.202001        15.775779
BFGS:    4 16:59:33      -39.069893         8.273185
BFGS:    5 16:59:33      -39.352856         5.954503
BFGS:    6 16:59:34      -39.497108         1.071592
BFGS:    7 16:59:34      -39.502788         0.108707
BFGS:    8 16:59:34      -39.502846         0.002317
BFGS:    9 16:59:34      -39.502846         0.000005
BFGS:   10 16:59:35      -39.502846         0.000000
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