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_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       -3.872967        2.2265
BFGS:    1 15:51:26       -4.068326        1.9603
BFGS:    2 15:51:27       -4.327690        1.5838
BFGS:    3 15:51:27       -4.534619        1.2489
BFGS:    4 15:51:27       -4.694698        0.9486
BFGS:    5 15:51:27       -4.812723        0.6785
BFGS:    6 15:51:27       -4.893047        0.4363
BFGS:    7 15:51:27       -4.939762        0.2207
BFGS:    8 15:51:27       -4.956755        0.0318
BFGS:    9 15:51:27       -4.957016        0.0120
BFGS:   10 15:51:27       -4.957022        0.0134
BFGS:   11 15:51:27       -4.957031        0.0138
BFGS:   12 15:51:27       -4.957048        0.0118
BFGS:   13 15:51:27       -4.957064        0.0065
BFGS:   14 15:51:27       -4.957071        0.0017
BFGS:   15 15:51:27       -4.957072        0.0004
BFGS:   16 15:51:28       -4.957072        0.0000
BFGS:   17 15:51:28       -4.957072        0.0000
BFGS:   18 15:51:28       -4.957072        0.0000
BFGS:   19 15:51:28       -4.957072        0.0000
Minimization converged after 19 steps.
Maximum force component: 2.3056751309610335e-32 eV/Angstrom
Maximum stress component: 3.925420439863775e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li', 'Li']
basis =  [[4.97329857e-33 2.47853877e-33 0.00000000e+00]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]]
cellpar =  Cell([[3.436485724944705, -2.4034995246290346e-18, 2.6029924599468586e-16], [-1.7182428624723527, 2.9760839375446992, 4.55161810467283e-16], [1.4386629995295797e-16, 1.9285212165895695e-15, 8.41763653543888]])
forces =  [[-4.11813470e-33 -1.01897408e-33 -5.12334615e-49]
 [-1.17660991e-33 -6.11384445e-33  2.30567513e-32]
 [-3.52982974e-33 -2.03794815e-33 -6.68176350e-49]]
stress =  [-3.92542044e-11 -3.92542044e-11 -1.52908463e-12  8.96124735e-27
  6.71429342e-28 -8.68374124e-27]
energy per atom =  -1.652357472840836
===============================================
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.