element(s):
['Li']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.437']
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 =  229
cell =  [[3.437, 0, 0], [0, 3.437, 0], [0, 0, 3.437]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:58:26       -2.599637        2.2031
BFGS:    1 17:58:26       -2.789175        1.8178
BFGS:    2 17:58:26       -3.023384        1.3035
BFGS:    3 17:58:26       -3.186195        0.9080
BFGS:    4 17:58:26       -3.291610        0.5114
BFGS:    5 17:58:26       -3.343051        0.1839
BFGS:    6 17:58:26       -3.351620        0.0219
BFGS:    7 17:58:26       -3.351750        0.0010
BFGS:    8 17:58:26       -3.351750        0.0000
BFGS:    9 17:58:26       -3.351750        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.436004469564532e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.889850096252142, 1.8157468736122674e-32, 5.210205905696645e-33], [-7.663020512742794e-34, 3.889850096252142, 1.764222940763621e-17], [5.41161909440835e-33, 1.7642229407636218e-17, 3.889850096252142]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.43600447e-11 -5.43600447e-11 -5.43600447e-11  1.52928290e-26
 -4.24280919e-36  1.42762152e-51]
energy per atom =  -1.6758751011118806
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0