element(s):
['Hg']
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:
['3.8678', '0.95715911']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Hg']
representative atom coordinates =  [[0 0 0]]
spacegroup =  139
cell =  [[3.8678, 0, 0], [0, 3.8678, 0], [0, 0, 3.7021]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:08:57       -0.251742        0.2307
BFGS:    1 17:08:57       -0.254008        0.2328
BFGS:    2 17:08:57       -0.291015        0.2675
BFGS:    3 17:08:58       -0.333295        0.3050
BFGS:    4 17:08:58       -0.381296        0.3442
BFGS:    5 17:08:58       -0.435075        0.3826
BFGS:    6 17:08:58       -0.494116        0.4160
BFGS:    7 17:08:58       -0.556964        0.4342
BFGS:    8 17:08:58       -0.620408        0.4255
BFGS:    9 17:08:58       -0.678025        0.3553
BFGS:   10 17:08:58       -0.717282        0.1749
BFGS:   11 17:08:58       -0.719723        0.1635
BFGS:   12 17:08:58       -0.723565        0.0396
BFGS:   13 17:08:58       -0.723680        0.0194
BFGS:   14 17:08:58       -0.723688        0.0160
BFGS:   15 17:08:58       -0.723707        0.0139
BFGS:   16 17:08:58       -0.723770        0.0225
BFGS:   17 17:08:58       -0.723925        0.0533
BFGS:   18 17:08:58       -0.724108        0.0510
BFGS:   19 17:08:58       -0.724908        0.0497
BFGS:   20 17:08:58       -0.725131        0.0234
BFGS:   21 17:08:58       -0.725226        0.0024
BFGS:   22 17:08:58       -0.725227        0.0002
BFGS:   23 17:08:58       -0.725227        0.0001
BFGS:   24 17:08:58       -0.725227        0.0000
BFGS:   25 17:08:58       -0.725227        0.0000
BFGS:   26 17:08:58       -0.725227        0.0000
Minimization converged after 26 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4657866508656145e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Hg', 'Hg']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.0209880204399444, -7.17786114431793e-34, 8.133240574884504e-33], [-9.760787168000392e-34, 3.0209880204399475, 4.190767975456569e-18], [5.459681790253506e-33, 5.202499808345235e-18, 2.6870295515790845]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.46578665e-10 -1.46578665e-10  1.05294727e-10  3.24856072e-26
  4.67085768e-43  1.30566347e-58]
energy per atom =  -0.3626132842574119
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0