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_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== 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 14:05:58       -3.872967         2.226521
BFGS:    1 14:05:58       -4.068326         1.960336
BFGS:    2 14:05:58       -4.327690         1.583803
BFGS:    3 14:05:58       -4.534619         1.248937
BFGS:    4 14:05:58       -4.694698         0.948554
BFGS:    5 14:05:58       -4.812723         0.678454
BFGS:    6 14:05:59       -4.893047         0.436311
BFGS:    7 14:05:59       -4.939762         0.220707
BFGS:    8 14:05:59       -4.956755         0.031805
BFGS:    9 14:05:59       -4.957016         0.012039
BFGS:   10 14:05:59       -4.957022         0.013413
BFGS:   11 14:05:59       -4.957031         0.013817
BFGS:   12 14:05:59       -4.957048         0.011780
BFGS:   13 14:06:00       -4.957064         0.006484
BFGS:   14 14:06:00       -4.957071         0.001693
BFGS:   15 14:06:00       -4.957072         0.000385
BFGS:   16 14:06:00       -4.957072         0.000042
BFGS:   17 14:06:00       -4.957072         0.000003
BFGS:   18 14:06:00       -4.957072         0.000000
BFGS:   19 14:06:01       -4.957072         0.000000
Minimization converged after 19 steps.
Maximum force component: 2.882093913701291e-33 eV/Angstrom
Maximum stress component: 3.925418272704913e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li', 'Li']
basis =  [[0.         0.         0.        ]
 [0.66666667 0.33333333 0.33333333]
 [0.33333333 0.66666667 0.66666667]]
cellpar =  Cell([[3.436485724944705, -6.379603824329711e-18, 2.6029924599468566e-16], [-1.7182428624723527, 2.9760839375446992, 4.551618104672829e-16], [1.43866299952958e-16, 1.92852121658957e-15, 8.417636535438879]])
forces =  [[ 1.17660991e-33 -6.21217090e-49 -2.70196304e-33]
 [-1.17660991e-33  6.62485943e-49  2.88209391e-33]
 [ 1.17660991e-33 -6.62485943e-49 -2.88209391e-33]]
stress =  [-3.92541827e-11 -3.92541827e-11 -1.52917014e-12  8.96124059e-27
  6.71429001e-28 -5.55268779e-27]
energy per atom =  -1.6523574728408361
===============================================
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.