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 14:38:10       -1.464882        0.5733
BFGS:    1 14:38:10       -1.470639        0.5830
BFGS:    2 14:38:10       -1.507964        0.5916
BFGS:    3 14:38:10       -1.545850        0.4552
BFGS:    4 14:38:10       -1.568012        0.2046
Minimization stalled after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 0.006418907165401924 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.7365279442115362, -1.0335753304107724e-19, 4.7922938901754475e-36], [-1.3682639721057681, 2.369902717853195, -9.587201188084177e-36], [-1.3326760908685232e-35, -5.881474466788517e-35, 2.184535816366148]])
forces =  [[0. 0. 0.]]
stress =  [-6.41890717e-03 -6.41890717e-03 -4.98938716e-03  1.74532261e-37
  3.63621755e-37 -2.74427547e-19]
energy per atom =  -1.5701870636034279
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0