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 15:51:41      -27.312695       16.3373
BFGS:    1 15:51:41      -29.864010       17.8238
BFGS:    2 15:51:41      -32.645559       19.4451
BFGS:    3 15:51:41      -35.680684       21.1533
BFGS:    4 15:51:41      -38.964086       22.8020
BFGS:    5 15:51:41      -42.496276       24.4435
BFGS:    6 15:51:41      -46.273718       25.9861
BFGS:    7 15:51:41      -50.256194       27.1712
BFGS:    8 15:51:41      -54.397241       27.9822
BFGS:    9 15:51:41      -58.582058       27.9133
BFGS:   10 15:51:41      -62.626930       26.7256
BFGS:   11 15:51:41      -66.291732       23.8154
BFGS:   12 15:51:41      -69.244999       18.8434
BFGS:   13 15:51:41      -71.106213       11.7582
BFGS:   14 15:51:41      -71.814638        4.6622
BFGS:   15 15:51:41      -72.010060        3.0751
BFGS:   16 15:51:41      -72.221910        7.3203
BFGS:   17 15:51:41      -72.907994        8.1451
BFGS:   18 15:51:41      -73.715144       14.2894
BFGS:   19 15:51:41      -74.550405       15.7259
BFGS:   20 15:51:41      -75.520574       17.4633
BFGS:   21 15:51:41      -76.754875       21.1113
BFGS:   22 15:51:41      -78.162311       24.8513
BFGS:   23 15:51:41      -79.772394       28.7810
BFGS:   24 15:51:41      -81.599882       33.1348
BFGS:   25 15:51:41      -83.659967       37.8107
BFGS:   26 15:51:42      -85.964283       42.5652
BFGS:   27 15:51:42      -88.510256       47.5697
BFGS:   28 15:51:42      -91.299109       51.8286
BFGS:   29 15:51:42      -94.258540       54.6193
BFGS:   30 15:51:42      -97.321369       54.8451
BFGS:   31 15:51:42     -100.466602       50.6677
BFGS:   32 15:51:42     -102.491688       30.8898
BFGS:   33 15:51:42     -104.286343        8.1892
BFGS:   34 15:51:42     -104.312785        7.5473
BFGS:   35 15:51:42     -104.336813        0.7163
BFGS:   36 15:51:42     -104.337309        0.0530
BFGS:   37 15:51:42     -104.337316        0.0065
BFGS:   38 15:51:42     -104.337316        0.0001
BFGS:   39 15:51:42     -104.337316        0.0000
BFGS:   40 15:51:42     -104.337316        0.0000
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.