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 17:18:33      -16.839668        14.512618
BFGS:    1 17:18:33      -18.997251        16.030308
BFGS:    2 17:18:33      -21.384290        17.437214
BFGS:    3 17:18:33      -23.957920        18.482317
BFGS:    4 17:18:33      -26.642520        18.666893
BFGS:    5 17:18:33      -29.321342        17.247236
BFGS:    6 17:18:33      -31.570055        13.645059
BFGS:    7 17:18:33      -32.963808         6.512907
BFGS:    8 17:18:33      -33.103424         5.158387
BFGS:    9 17:18:33      -33.210532         0.776851
BFGS:   10 17:18:33      -33.213634         0.103323
BFGS:   11 17:18:33      -33.213857         0.077312
BFGS:   12 17:18:33      -33.213901         0.027223
BFGS:   13 17:18:33      -33.213904         0.002691
BFGS:   14 17:18:33      -33.213904         0.000170
BFGS:   15 17:18:33      -33.213904         0.000004
BFGS:   16 17:18:33      -33.213904         0.000000
BFGS:   17 17:18:33      -33.213904         0.000000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.809248835882611e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Bi', 'Bi']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.387171893755287, 5.52647933003471e-34, -1.0543111701317115e-33], [5.178223632286947e-34, 3.387171893755286, 6.324242124520438e-17], [1.708226113517945e-32, 5.1802798806535615e-17, 3.012733212756853]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 9.57343272e-11  9.57343272e-11  9.80924884e-11 -1.58279338e-27
 -6.03938272e-34  6.70506175e-50]
energy per atom =  -16.606951883576027
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0