element(s):
['Li']
AFLOW prototype label:
A_hR1_166_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:
['3.0399777', '2.4670212']
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 =  166
cell =  [[3.04, 0, 0], [-1.52, 2.6327172275047, 0], [0, 0, 7.4997]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:51:26       -4.812753        0.1471
BFGS:    1 15:51:26       -4.813546        0.1430
BFGS:    2 15:51:26       -4.825554        0.0434
BFGS:    3 15:51:26       -4.826679        0.0058
BFGS:    4 15:51:26       -4.826679        0.0058
BFGS:    5 15:51:26       -4.826687        0.0045
BFGS:    6 15:51:26       -4.826691        0.0024
BFGS:    7 15:51:26       -4.826693        0.0005
BFGS:    8 15:51:26       -4.826693        0.0001
BFGS:    9 15:51:26       -4.826693        0.0000
BFGS:   10 15:51:26       -4.826693        0.0000
BFGS:   11 15:51:26       -4.826693        0.0000
Minimization converged after 11 steps.
Maximum force component: 2.090250392260922e-32 eV/Angstrom
Maximum stress component: 3.1762397987344554e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li', 'Li']
basis =  [[3.81435944e-32 2.28191030e-32 0.00000000e+00]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]]
cellpar =  Cell([[3.1154066498594704, -8.199542671392147e-18, 1.3007027849487746e-16], [-1.5577033249297354, 2.698021301897272, 2.471025627290252e-16], [-1.333874851965377e-16, 1.1190688089040831e-15, 7.631156633405328]])
forces =  [[-1.06667644e-33  2.90173838e-49  1.95960974e-33]
 [ 1.06667644e-33 -3.06804920e-48 -2.09025039e-32]
 [-2.13335287e-33  5.61484258e-51 -8.90688868e-50]]
stress =  [-3.16910907e-10 -3.16910907e-10 -3.17623980e-10 -1.07861789e-24
 -3.94750711e-25 -9.28999274e-26]
energy per atom =  -1.6088977254702932
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_hR1_166_a, while relaxed is A_cF4_225_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.