element(s):
['S']
AFLOW prototype label:
A_hR1_166_a
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:
['3.6578933', '1.2150295']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['S']
representative atom coordinates =  [[0 0 0]]
spacegroup =  166
cell =  [[3.6579, 0, 0], [-1.82895, 3.1678343245031, 0], [0, 0, 4.4444]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:45:34      -27.312695        16.337263
BFGS:    1 16:45:34      -29.864010        17.823849
BFGS:    2 16:45:35      -32.645559        19.445099
BFGS:    3 16:45:35      -35.680684        21.153299
BFGS:    4 16:45:35      -38.964086        22.801983
BFGS:    5 16:45:35      -42.496276        24.443501
BFGS:    6 16:45:35      -46.273718        25.986077
BFGS:    7 16:45:35      -50.256194        27.171191
BFGS:    8 16:45:35      -54.397241        27.982205
BFGS:    9 16:45:35      -58.582058        27.913250
BFGS:   10 16:45:35      -62.626930        26.725605
BFGS:   11 16:45:35      -66.291732        23.815426
BFGS:   12 16:45:35      -69.244999        18.843367
BFGS:   13 16:45:35      -71.106213        11.758177
BFGS:   14 16:45:35      -71.814638         4.662177
BFGS:   15 16:45:35      -72.010060         3.075124
BFGS:   16 16:45:35      -72.221910         7.320278
BFGS:   17 16:45:35      -72.907994         8.145067
BFGS:   18 16:45:35      -73.715144        14.289421
BFGS:   19 16:45:35      -74.550405        15.725863
BFGS:   20 16:45:35      -75.520574        17.463259
BFGS:   21 16:45:35      -76.754875        21.111337
BFGS:   22 16:45:35      -78.162311        24.851263
BFGS:   23 16:45:35      -79.772394        28.780971
BFGS:   24 16:45:36      -81.599882        33.134824
BFGS:   25 16:45:36      -83.659967        37.810679
BFGS:   26 16:45:36      -85.964283        42.565164
BFGS:   27 16:45:36      -88.510256        47.569690
BFGS:   28 16:45:36      -91.299109        51.828639
BFGS:   29 16:45:36      -94.258540        54.619327
BFGS:   30 16:45:36      -97.321369        54.845096
BFGS:   31 16:45:36     -100.466602        50.667746
BFGS:   32 16:45:36     -102.491688        30.889788
BFGS:   33 16:45:36     -104.286343         8.189222
BFGS:   34 16:45:36     -104.312785         7.547259
BFGS:   35 16:45:36     -104.336813         0.716283
BFGS:   36 16:45:36     -104.337309         0.052986
BFGS:   37 16:45:36     -104.337316         0.006497
BFGS:   38 16:45:36     -104.337316         0.000053
BFGS:   39 16:45:36     -104.337316         0.000000
BFGS:   40 16:45:36     -104.337316         0.000000
Minimization converged after 40 steps.
Maximum force component: 1.4888067797522525e-30 eV/Angstrom
Maximum stress component: 5.161524119697674e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['S', 'S', 'S']
basis =  [[4.51086880e-33 6.05918860e-33 0.00000000e+00]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]]
cellpar =  Cell([[3.2688766398703053, 3.3820082360761463e-18, 4.630436817301779e-17], [-1.6344383199351527, 2.8309302119652004, 1.0178358997847094e-16], [-1.8436605276766442e-16, -2.2227658666350536e-16, 2.0017699499456705]])
forces =  [[-3.31289904e-31  1.48880678e-30  7.23762442e-31]
 [-1.43260499e-30  4.96268927e-31  3.50915123e-31]
 [-5.73041997e-31  9.92537853e-31  7.01830247e-31]]
stress =  [ 5.16152412e-10  5.16152412e-10  4.77484257e-10 -2.07411520e-28
  2.81486339e-26  5.05923220e-26]
energy per atom =  -34.77910518283062
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_hR1_166_a, while relaxed is A_cI2_229_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.