element(s):
['Hg']
AFLOW prototype label:
A_mC6_12_ai
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'x2', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.9199', '0.60088853', '1.5241305', '113.2851', '0.4279977', '0.66453824']
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.        ]
 [0.4279977  0.         0.66453824]]
spacegroup =  12
cell =  [[5.9199, 0, 0], [0, 3.5572, 0], [-3.5667332521417, 0, 8.2877939886357]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:33:32       -0.690707         0.218067
BFGS:    1 16:33:32       -0.692671         0.218699
BFGS:    2 16:33:32       -0.724980         0.229062
BFGS:    3 16:33:32       -0.758834         0.239828
BFGS:    4 16:33:32       -0.794296         0.250990
BFGS:    5 16:33:32       -0.831440         0.262946
BFGS:    6 16:33:32       -0.870329         0.274876
BFGS:    7 16:33:32       -0.911019         0.287541
BFGS:    8 16:33:33       -0.953575         0.300183
BFGS:    9 16:33:33       -0.998066         0.313492
BFGS:   10 16:33:33       -1.044521         0.326524
BFGS:   11 16:33:33       -1.092963         0.339650
BFGS:   12 16:33:33       -1.143417         0.352746
BFGS:   13 16:33:33       -1.195914         0.365679
BFGS:   14 16:33:33       -1.250456         0.378392
BFGS:   15 16:33:33       -1.307004         0.391057
BFGS:   16 16:33:33       -1.365565         0.405605
BFGS:   17 16:33:33       -1.426059         0.419046
BFGS:   18 16:33:33       -1.488330         0.431803
BFGS:   19 16:33:33       -1.552183         0.443017
BFGS:   20 16:33:33       -1.617353         0.452521
BFGS:   21 16:33:33       -1.683585         0.460674
BFGS:   22 16:33:33       -1.750450         0.465707
BFGS:   23 16:33:33       -1.817396         0.467177
BFGS:   24 16:33:33       -1.883796         0.464289
BFGS:   25 16:33:33       -1.948826         0.455811
BFGS:   26 16:33:33       -2.011446         0.439852
BFGS:   27 16:33:33       -2.070257         0.414899
BFGS:   28 16:33:33       -2.123394         0.379443
BFGS:   29 16:33:33       -2.168912         0.331067
BFGS:   30 16:33:33       -2.204659         0.267206
BFGS:   31 16:33:33       -2.228185         0.184333
BFGS:   32 16:33:33       -2.237313         0.170629
BFGS:   33 16:33:33       -2.238652         0.172741
BFGS:   34 16:33:33       -2.254937         0.128142
BFGS:   35 16:33:33       -2.256930         0.082825
BFGS:   36 16:33:33       -2.257529         0.058712
BFGS:   37 16:33:33       -2.257943         0.054752
BFGS:   38 16:33:33       -2.259198         0.060096
BFGS:   39 16:33:33       -2.261020         0.057522
BFGS:   40 16:33:34       -2.263067         0.069383
BFGS:   41 16:33:34       -2.264066         0.059957
BFGS:   42 16:33:34       -2.264350         0.048523
BFGS:   43 16:33:34       -2.264492         0.050703
BFGS:   44 16:33:34       -2.264784         0.051498
BFGS:   45 16:33:34       -2.265383         0.047731
BFGS:   46 16:33:34       -2.266469         0.033201
BFGS:   47 16:33:34       -2.267566         0.034904
BFGS:   48 16:33:34       -2.268018         0.017306
BFGS:   49 16:33:34       -2.268103         0.014972
BFGS:   50 16:33:34       -2.268127         0.014342
BFGS:   51 16:33:34       -2.268175         0.012687
BFGS:   52 16:33:34       -2.268280         0.015441
BFGS:   53 16:33:34       -2.268469         0.019838
BFGS:   54 16:33:34       -2.268677         0.016446
BFGS:   55 16:33:34       -2.268778         0.009176
BFGS:   56 16:33:34       -2.268801         0.008076
BFGS:   57 16:33:35       -2.268805         0.007417
BFGS:   58 16:33:35       -2.268810         0.007625
BFGS:   59 16:33:35       -2.268823         0.007755
BFGS:   60 16:33:35       -2.268843         0.006878
BFGS:   61 16:33:35       -2.268866         0.004232
BFGS:   62 16:33:35       -2.268876         0.001369
BFGS:   63 16:33:35       -2.268878         0.000292
BFGS:   64 16:33:35       -2.268878         0.000030
BFGS:   65 16:33:35       -2.268878         0.000003
BFGS:   66 16:33:35       -2.268878         0.000000
BFGS:   67 16:33:35       -2.268878         0.000000
Minimization converged after 67 steps.
Maximum force component: 9.529069342104899e-10 eV/Angstrom
Maximum stress component: 9.44510992945778e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Hg', 'Hg', 'Hg', 'Hg', 'Hg', 'Hg']
basis =  [[0.         0.         0.        ]
 [0.5        0.5        0.        ]
 [0.44444572 0.         0.66666859]
 [0.55555428 0.         0.33333141]
 [0.94444572 0.5        0.66666859]
 [0.05555428 0.5        0.33333141]]
cellpar =  Cell([[4.44585899529838, -6.2046303124505545e-18, -0.10280529441030993], [-3.3526020086007293e-18, 2.5675040509558427, 5.101138358959479e-18], [-2.818523792662567, 1.3609935298536811e-17, 6.355652578087776]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.15579336e-10 -1.30863065e-27 -9.52906934e-10]
 [ 1.15579336e-10  1.30863065e-27  9.52906934e-10]
 [-1.15579336e-10 -1.30863065e-27 -9.52906934e-10]
 [ 1.15579336e-10  1.30863065e-27  9.52906934e-10]]
stress =  [-5.61822947e-11  9.44510993e-11  4.29877396e-11  1.97015671e-26
 -1.57568493e-11 -7.34040050e-27]
energy per atom =  -0.37814632865518294
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_mC6_12_ai, while relaxed is A_hR3_166_ac. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.