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 12:12:07      -67.295992        11.668136
BFGS:    1 12:12:08      -69.057741        11.806109
BFGS:    2 12:12:08      -70.833272        11.861721
BFGS:    3 12:12:08      -72.614342        11.879009
BFGS:    4 12:12:08      -74.394754        11.851860
BFGS:    5 12:12:08      -76.169045        11.799198
BFGS:    6 12:12:08      -77.929484        11.662778
BFGS:    7 12:12:08      -79.664487        11.458495
BFGS:    8 12:12:08      -81.363145        11.176426
BFGS:    9 12:12:08      -83.012968        10.805373
BFGS:   10 12:12:08      -84.606966        10.389235
BFGS:   11 12:12:09      -86.122957         9.803398
BFGS:   12 12:12:09      -87.541399         9.085751
BFGS:   13 12:12:09      -88.841188         8.218152
BFGS:   14 12:12:09      -90.005194         7.236987
BFGS:   15 12:12:09      -91.001366         6.011675
BFGS:   16 12:12:09      -91.797432         4.563618
BFGS:   17 12:12:10      -92.358012         2.866652
BFGS:   18 12:12:10      -92.643326         0.887510
BFGS:   19 12:12:10      -92.670134         0.101430
BFGS:   20 12:12:10      -92.670473         0.003062
BFGS:   21 12:12:10      -92.670473         0.000010
BFGS:   22 12:12:11      -92.670473         0.000000
Minimization converged after 22 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.202034374357478e-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]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.33585090e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 1.73434036e-34 5.00000000e-01]]
cellpar =  Cell([[4.441873090972916, 2.337429638341668e-33, -8.50354851601955e-34], [1.9956916571842692e-33, 4.441873090972916, -2.445028131434449e-18], [9.637483518744628e-34, -2.4450281314344503e-18, 4.441873090972916]])
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 =  [-8.20203437e-11 -8.20203437e-11 -8.20203437e-11  3.21808842e-28
  5.36248603e-61 -4.14762162e-60]
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