element(s):
['Hg', 'S']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.0059']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Hg', 'S']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[6.0059, 0, 0], [0, 6.0059, 0], [0, 0, 6.0059]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:10:43       -9.625579         1.924329
BFGS:    1 19:10:43       -9.785177         1.945951
BFGS:    2 19:10:43      -10.079938         1.984327
BFGS:    3 19:10:43      -10.380285         2.019865
BFGS:    4 19:10:43      -10.685755         2.052545
BFGS:    5 19:10:43      -10.995875         2.081754
BFGS:    6 19:10:43      -11.310073         2.106797
BFGS:    7 19:10:43      -11.627666         2.126882
BFGS:    8 19:10:43      -11.947844         2.141106
BFGS:    9 19:10:43      -12.270785         2.159768
BFGS:   10 19:10:43      -12.594845         2.159596
BFGS:   11 19:10:43      -12.918197         2.150084
BFGS:   12 19:10:43      -13.239328         2.129734
BFGS:   13 19:10:43      -13.556490         2.096848
BFGS:   14 19:10:43      -13.867660         2.049500
BFGS:   15 19:10:43      -14.170508         1.985504
BFGS:   16 19:10:43      -14.462363         1.902581
BFGS:   17 19:10:43      -14.740165         1.797536
BFGS:   18 19:10:43      -15.000369         1.667372
BFGS:   19 19:10:43      -15.238941         1.508479
BFGS:   20 19:10:43      -15.453577         1.346568
BFGS:   21 19:10:43      -15.638987         1.118908
BFGS:   22 19:10:43      -15.787119         0.848599
BFGS:   23 19:10:43      -15.891137         0.529667
BFGS:   24 19:10:43      -15.943993         0.161667
BFGS:   25 19:10:43      -15.948660         0.022098
BFGS:   26 19:10:43      -15.948745         0.000667
BFGS:   27 19:10:43      -15.948745         0.000003
BFGS:   28 19:10:44      -15.948745         0.000000
Minimization converged after 28 steps.
Maximum force component: 7.638288209848042e-30 eV/Angstrom
Maximum stress component: 1.611755159481932e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Hg', 'Hg', 'Hg', 'Hg', 'S', 'S', 'S', 'S']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]]
cellpar =  Cell([[5.107348026688393, -1.364070809476817e-32, 5.13628747022077e-34], [-7.893738805836791e-35, 5.107348026688393, 3.474401073513316e-17], [1.1680975191210877e-34, 3.4744010735133164e-17, 5.107348026688393]])
forces =  [[-8.39372331e-32 -8.39372331e-32 -8.39372331e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.91972180e-66 -5.71003995e-49 -8.39372331e-32]
 [-8.39372331e-32 -8.39372331e-32 -5.71003995e-49]
 [-1.67874466e-30  2.51811699e-31  2.89583454e-30]
 [ 1.55283881e-30 -3.14764624e-31 -2.09843083e-32]
 [-1.17512126e-30 -5.03623398e-31 -1.25905850e-30]
 [ 5.03623398e-31 -4.19686165e-32 -7.63828821e-30]]
stress =  [-1.61175516e-11 -1.61175516e-11 -1.61175516e-11 -2.15932006e-28
 -5.04032195e-33 -5.04112284e-50]
energy per atom =  -1.993593104637244
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0