element(s):
['Li']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3176']
model name:
Sim_LAMMPS_ReaxFF_IslamOstadhosseinBorodin_2015_LiS__SM_058492438145_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Li']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.3176, 0, 0], [0, 4.3176, 0], [0, 0, 4.3176]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:24:22       -6.420283         0.124937
BFGS:    1 15:24:22       -6.420944         0.122214
BFGS:    2 15:24:22       -6.433540         0.045690
BFGS:    3 15:24:22       -6.435591         0.000182
BFGS:    4 15:24:22       -6.435591         0.000001
BFGS:    5 15:24:22       -6.435591         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2917471604184236e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li', 'Li', 'Li']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.40585034124535, -1.1660382597156343e-32, 1.5346511985784139e-33], [2.3824959192478264e-33, 4.40585034124535, 1.6132477865212256e-18], [3.099597165657408e-33, 1.6132477865212243e-18, 4.40585034124535]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.29174716e-12 -1.29174716e-12 -1.29174716e-12 -2.10016628e-30
 -6.61438918e-36  4.06797242e-52]
energy per atom =  -1.6088977254703105
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0