element(s):
['Bi']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.97']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Bi']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.97, 0, 0], [0, 3.97, 0], [0, 0, 3.97]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:45:45      -16.980747       14.1785
BFGS:    1 17:45:45      -19.222160       15.6964
BFGS:    2 17:45:45      -21.682087       17.0590
BFGS:    3 17:45:45      -24.321397       18.0278
BFGS:    4 17:45:45      -27.045224       18.0899
BFGS:    5 17:45:45      -29.687104       16.6910
BFGS:    6 17:45:45      -31.898299       12.1450
BFGS:    7 17:45:45      -33.078607        2.4630
BFGS:    8 17:45:45      -33.103758        1.2457
BFGS:    9 17:45:45      -33.111228        0.0681
BFGS:   10 17:45:45      -33.111252        0.0017
BFGS:   11 17:45:45      -33.111252        0.0000
BFGS:   12 17:45:45      -33.111252        0.0000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.493253365835054e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Bi', 'Bi']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2580315929243113, 4.436340817508145e-33, 1.3667383152680302e-32], [1.0045838165753858e-32, 3.2580315929243118, -1.13855373526612e-16], [-6.413771763682543e-33, -1.1385537352661206e-16, 3.2580315929243113]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.49325337e-12  4.49325337e-12  4.49325337e-12 -2.32740139e-29
  8.34906380e-34  3.23527937e-50]
energy per atom =  -16.555625783532996
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0