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 17:05:24      -16.839668       14.5126
BFGS:    1 17:05:24      -18.997251       16.0303
BFGS:    2 17:05:24      -21.384290       17.4372
BFGS:    3 17:05:24      -23.957920       18.4823
BFGS:    4 17:05:24      -26.642520       18.6669
BFGS:    5 17:05:24      -29.321342       17.2472
BFGS:    6 17:05:24      -31.570055       13.6451
BFGS:    7 17:05:24      -32.963808        6.5129
BFGS:    8 17:05:24      -33.103424        5.1584
BFGS:    9 17:05:24      -33.210532        0.7769
BFGS:   10 17:05:24      -33.213634        0.1033
BFGS:   11 17:05:24      -33.213857        0.0773
BFGS:   12 17:05:24      -33.213901        0.0272
BFGS:   13 17:05:24      -33.213904        0.0027
BFGS:   14 17:05:24      -33.213904        0.0002
BFGS:   15 17:05:24      -33.213904        0.0000
BFGS:   16 17:05:24      -33.213904        0.0000
BFGS:   17 17:05:24      -33.213904        0.0000
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