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_001
==== 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 14:04:13       -2.599637         2.203055
BFGS:    1 14:04:14       -2.789175         1.817755
BFGS:    2 14:04:14       -3.023384         1.303512
BFGS:    3 14:04:14       -3.186195         0.908000
BFGS:    4 14:04:14       -3.291610         0.511403
BFGS:    5 14:04:14       -3.343051         0.183886
BFGS:    6 14:04:14       -3.351620         0.021863
BFGS:    7 14:04:14       -3.351750         0.000996
BFGS:    8 14:04:15       -3.351750         0.000006
BFGS:    9 14:04:15       -3.351750         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.4360159838763114e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.889850096252141, -6.6698503759186e-34, 2.831215186419869e-32], [1.5142575038434469e-32, 3.889850096252141, 3.643372883773273e-17], [6.281118737731822e-33, 3.6433728837732736e-17, 3.889850096252141]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.43601598e-11 -5.43601598e-11 -5.43601598e-11 -5.78230923e-28
  2.03654841e-34  1.50958974e-51]
energy per atom =  -1.6758751011118802
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Skipping parameter set 0 because of error while adding or validating property:
 
ERROR(@kim_property_modify): input value "Body-Centered Cubic" doesn't meet the format specification. An integer equal to or greater than 1 or integer indices range of "start:stop".
No parameter sets in this group successfully added a property instance. Skipping this group.