element(s):
['Hg']
AFLOW prototype label:
A_hP3_191_ad
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:
['5.4876', '0.58965668']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Hg', 'Hg']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]]
spacegroup =  191
cell =  [[5.4876, 0, 0], [-2.7438, 4.7524010058075, 0], [0, 0, 3.2358]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:13:43       -0.369530        0.2255
BFGS:    1 15:13:43       -0.371671        0.2268
BFGS:    2 15:13:43       -0.406546        0.2476
BFGS:    3 15:13:43       -0.444695        0.2705
BFGS:    4 15:13:43       -0.486332        0.2934
BFGS:    5 15:13:43       -0.531532        0.3168
BFGS:    6 15:13:43       -0.580419        0.3416
BFGS:    7 15:13:43       -0.632924        0.3658
BFGS:    8 15:13:43       -0.688729        0.3879
BFGS:    9 15:13:43       -0.747306        0.4050
BFGS:   10 15:13:43       -0.807634        0.4147
BFGS:   11 15:13:43       -0.868144        0.4113
BFGS:   12 15:13:43       -0.926197        0.3893
BFGS:   13 15:13:43       -0.977993        0.3368
BFGS:   14 15:13:43       -1.017136        0.2365
BFGS:   15 15:13:43       -1.034792        0.0723
BFGS:   16 15:13:44       -1.035119        0.0967
BFGS:   17 15:13:44       -1.035359        0.0901
BFGS:   18 15:13:44       -1.036355        0.0166
BFGS:   19 15:13:44       -1.036389        0.0028
BFGS:   20 15:13:44       -1.036390        0.0000
BFGS:   21 15:13:44       -1.036390        0.0000
BFGS:   22 15:13:44       -1.036390        0.0000
BFGS:   23 15:13:44       -1.036390        0.0000
Minimization converged after 23 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.135545907423034e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Hg', 'Hg', 'Hg']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]
 [0.66666667 0.33333333 0.5       ]]
cellpar =  Cell([[4.1851843979245595, -5.28501294540412e-17, 1.0566807239513422e-37], [-2.0925921989622798, 3.6244760081249496, -2.3538826003850335e-37], [-6.538746739403594e-37, 1.0243997803124217e-37, 2.49716438513874]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.50398784e-11  1.50398784e-11  3.13554591e-11 -1.70230789e-34
  1.88125436e-48  3.36865278e-27]
energy per atom =  -0.34546347520302567
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0