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 16:19:36       -0.233632        0.2193
BFGS:    1 16:19:36       -0.235633        0.2217
BFGS:    2 16:19:36       -0.270020        0.2547
BFGS:    3 16:19:36       -0.309404        0.2914
BFGS:    4 16:19:36       -0.354361        0.3314
BFGS:    5 16:19:36       -0.405148        0.3725
BFGS:    6 16:19:36       -0.461650        0.4111
BFGS:    7 16:19:36       -0.523107        0.4412
BFGS:    8 16:19:36       -0.587505        0.4517
BFGS:    9 16:19:36       -0.650350        0.4208
BFGS:   10 16:19:36       -0.702987        0.3281
BFGS:   11 16:19:36       -0.729717        0.1197
BFGS:   12 16:19:36       -0.730208        0.1096
BFGS:   13 16:19:36       -0.730541        0.0983
BFGS:   14 16:19:37       -0.733185        0.0921
BFGS:   15 16:19:37       -0.733839        0.1169
BFGS:   16 16:19:37       -0.734612        0.1448
BFGS:   17 16:19:37       -0.736623        0.2304
BFGS:   18 16:19:37       -0.739522        0.3368
BFGS:   19 16:19:37       -0.743349        0.3161
BFGS:   20 16:19:37       -0.752507        0.1029
BFGS:   21 16:19:37       -0.753078        0.0939
BFGS:   22 16:19:37       -0.753365        0.0884
BFGS:   23 16:19:37       -0.754008        0.0884
BFGS:   24 16:19:37       -0.755302        0.0856
BFGS:   25 16:19:37       -0.755878        0.0441
BFGS:   26 16:19:37       -0.756132        0.0052
BFGS:   27 16:19:37       -0.756135        0.0009
BFGS:   28 16:19:37       -0.756135        0.0003
BFGS:   29 16:19:37       -0.756135        0.0000
BFGS:   30 16:19:37       -0.756135        0.0000
BFGS:   31 16:19:37       -0.756135        0.0000
BFGS:   32 16:19:37       -0.756135        0.0000
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.