element(s):
['Li', 'S']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.0192']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Li', 'S']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[5.0192, 0, 0], [0, 5.0192, 0], [0, 0, 5.0192]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:49:31      -67.295992        11.668136
BFGS:    1 15:49:31      -69.057741        11.806109
BFGS:    2 15:49:31      -70.833272        11.861721
BFGS:    3 15:49:31      -72.614342        11.879009
BFGS:    4 15:49:31      -74.394754        11.851860
BFGS:    5 15:49:31      -76.169045        11.799198
BFGS:    6 15:49:31      -77.929484        11.662778
BFGS:    7 15:49:31      -79.664487        11.458495
BFGS:    8 15:49:31      -81.363145        11.176426
BFGS:    9 15:49:31      -83.012968        10.805373
BFGS:   10 15:49:32      -84.606966        10.389235
BFGS:   11 15:49:32      -86.122957         9.803398
BFGS:   12 15:49:32      -87.541399         9.085751
BFGS:   13 15:49:32      -88.841188         8.218152
BFGS:   14 15:49:32      -90.005194         7.236987
BFGS:   15 15:49:32      -91.001366         6.011675
BFGS:   16 15:49:32      -91.797432         4.563618
BFGS:   17 15:49:32      -92.358012         2.866652
BFGS:   18 15:49:32      -92.643326         0.887510
BFGS:   19 15:49:32      -92.670134         0.101430
BFGS:   20 15:49:32      -92.670473         0.003062
BFGS:   21 15:49:32      -92.670473         0.000010
BFGS:   22 15:49:32      -92.670473         0.000000
Minimization converged after 22 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.202429429336544e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li', 'Li', 'Li', 'S', 'S', 'S', 'S']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.77777619e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.23232294e-48 1.54040368e-49]
 [1.23232294e-48 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 5.20302108e-34 5.00000000e-01]]
cellpar =  Cell([[4.441873090972916, 2.9965941253790247e-32, -3.8605597558198414e-33], [4.731694583205516e-32, 4.441873090972916, -1.3068863383666259e-17], [1.85285575989894e-32, -1.306886338366628e-17, 4.441873090972915]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.20242943e-11 -8.20242943e-11 -8.20242943e-11  1.23284161e-26
  1.30150826e-35 -2.71196797e-51]
energy per atom =  -11.583809142982144
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0