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:
Sim_LAMMPS_ReaxFF_IslamOstadhosseinBorodin_2015_LiS__SM_058492438145_000
==== 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 14:36:40      -25.667180        0.1657
BFGS:    1 14:36:40      -25.668344        0.1598
BFGS:    2 14:36:40      -25.690199        0.0223
BFGS:    3 14:36:40      -25.690416        0.0037
BFGS:    4 14:36:40      -25.690419        0.0000
BFGS:    5 14:36:40      -25.690419        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.9284984318855026e-10 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]
 [1.71367486e-50 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 0.00000000e+00 0.00000000e+00]
 [8.56837431e-51 5.00000000e-01 0.00000000e+00]
 [2.40985527e-51 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.99093921834924, 8.098015675348647e-34, -2.7510534428708715e-34], [-7.212229671197538e-34, 4.99093921834924, 7.573421950510385e-20], [-1.9461974801256358e-35, 7.573421950510364e-20, 4.99093921834924]])
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 =  [-2.92849843e-10 -2.92849843e-10 -2.92849843e-10 -1.82959677e-25
  1.31954629e-33  4.10886351e-50]
energy per atom =  -3.1676817148055143
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0