element(s):
['Li']
AFLOW prototype label:
A_hP1_191_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:
['2.9353', '0.92505025']
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 =  191
cell =  [[2.9353, 0, 0], [-1.46765, 2.5420443677285, 0], [0, 0, 2.7153]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:53:03       -1.464882         0.573336
BFGS:    1 16:53:03       -1.470639         0.583035
BFGS:    2 16:53:03       -1.507964         0.591602
BFGS:    3 16:53:03       -1.545850         0.455238
BFGS:    4 16:53:03       -1.568012         0.204565
Minimization stalled after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 0.00641890716540209 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.736527944211536, 9.113683446563555e-18, -1.63302229580957e-37], [-1.368263972105768, 2.369902717853194, -1.744309947038635e-36], [1.0447886398692402e-35, 1.9446078655920904e-35, 2.184535816366146]])
forces =  [[0. 0. 0.]]
stress =  [-6.41890717e-03 -6.41890717e-03 -4.98938716e-03  1.00430377e-37
  1.31707898e-38 -5.75193860e-19]
energy per atom =  -1.5701870636034292
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0