element(s):
['Hg']
AFLOW prototype label:
A_mC2_12_a
Parameter names:
['a', 'b/a', 'c/a', 'beta']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.6572', '0.63363501', '0.74994697', '137.8576']
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 =  12
cell =  [[5.7286, 0, 0], [0, 3.5846, 0], [-2.5510226684059, 0, 2.8111667604892]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:38:46       -0.233632         0.219264
BFGS:    1 09:38:46       -0.235633         0.221688
BFGS:    2 09:38:46       -0.270020         0.254747
BFGS:    3 09:38:46       -0.309404         0.291382
BFGS:    4 09:38:46       -0.354361         0.331430
BFGS:    5 09:38:46       -0.405148         0.372454
BFGS:    6 09:38:46       -0.461650         0.411089
BFGS:    7 09:38:46       -0.523107         0.441223
BFGS:    8 09:38:46       -0.587505         0.451718
BFGS:    9 09:38:46       -0.650350         0.420767
BFGS:   10 09:38:46       -0.702987         0.328083
BFGS:   11 09:38:46       -0.729717         0.119728
BFGS:   12 09:38:46       -0.730208         0.109598
BFGS:   13 09:38:46       -0.730541         0.098266
BFGS:   14 09:38:46       -0.733185         0.092134
BFGS:   15 09:38:46       -0.733839         0.116899
BFGS:   16 09:38:46       -0.734612         0.144840
BFGS:   17 09:38:46       -0.736623         0.230397
BFGS:   18 09:38:46       -0.739522         0.336764
BFGS:   19 09:38:46       -0.743349         0.316090
BFGS:   20 09:38:46       -0.752507         0.102906
BFGS:   21 09:38:46       -0.753078         0.093935
BFGS:   22 09:38:46       -0.753365         0.088386
BFGS:   23 09:38:46       -0.754008         0.088416
BFGS:   24 09:38:46       -0.755302         0.085568
BFGS:   25 09:38:46       -0.755878         0.044108
BFGS:   26 09:38:46       -0.756132         0.005162
BFGS:   27 09:38:46       -0.756135         0.000920
BFGS:   28 09:38:46       -0.756135         0.000292
BFGS:   29 09:38:46       -0.756135         0.000014
BFGS:   30 09:38:46       -0.756135         0.000001
BFGS:   31 09:38:46       -0.756135         0.000000
BFGS:   32 09:38:46       -0.756135         0.000000
Minimization converged after 32 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4107319131191122e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Hg', 'Hg']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 2.10369815e-16]]
cellpar =  Cell([[4.415458785373514, -9.786037989623391e-16, 0.5258861742571973], [-2.760322938788079e-16, 2.567283424868711, -7.2113749718273225e-16], [-1.7197247159366242, -2.804635140318073e-16, 1.9061718406412353]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.41073191e-10  5.31341753e-11 -2.85053755e-11  1.28372113e-25
 -3.85882524e-11  1.25452520e-26]
energy per atom =  -0.3780674237443047
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_mC2_12_a, while relaxed is A_cF4_225_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.