element(s):
['Bi']
AFLOW prototype label:
A_tI2_139_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1773', '0.86450578']
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 =  139
cell =  [[4.1773, 0, 0], [0, 4.1773, 0], [0, 0, 3.6113]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:56:30      -16.839668        14.512618
BFGS:    1 14:56:30      -18.997251        16.030308
BFGS:    2 14:56:30      -21.384290        17.437214
BFGS:    3 14:56:30      -23.957920        18.482317
BFGS:    4 14:56:30      -26.642520        18.666893
BFGS:    5 14:56:31      -29.321342        17.247236
BFGS:    6 14:56:31      -31.570055        13.645059
BFGS:    7 14:56:31      -32.963808         6.512907
BFGS:    8 14:56:31      -33.103424         5.158387
BFGS:    9 14:56:31      -33.210532         0.776851
BFGS:   10 14:56:31      -33.213634         0.103323
BFGS:   11 14:56:32      -33.213857         0.077312
BFGS:   12 14:56:32      -33.213901         0.027223
BFGS:   13 14:56:32      -33.213904         0.002691
BFGS:   14 14:56:32      -33.213904         0.000170
BFGS:   15 14:56:32      -33.213904         0.000004
BFGS:   16 14:56:33      -33.213904         0.000000
BFGS:   17 14:56:33      -33.213904         0.000000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.808762539593185e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Bi', 'Bi']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.3871718937552857, 1.0313306662341475e-34, -2.4980346536756063e-32], [6.245605597625098e-34, 3.387171893755285, -1.2215025943131324e-17], [3.6732683805175695e-33, -1.0085170274711151e-17, 3.012733212756853]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 9.57288732e-11  9.57288732e-11  9.80876254e-11  2.28388652e-26
 -1.20787654e-33 -1.34101235e-49]
energy per atom =  -16.606951883576023
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0