element(s):
['Li']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3176']
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 =  225
cell =  [[4.3176, 0, 0], [0, 4.3176, 0], [0, 0, 4.3176]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:04:14       -5.214156         2.157328
BFGS:    1 14:04:14       -5.404562         1.963524
BFGS:    2 14:04:15       -5.676953         1.672927
BFGS:    3 14:04:15       -5.907696         1.407498
BFGS:    4 14:04:15       -6.100276         1.163577
BFGS:    5 14:04:15       -6.257719         0.938669
BFGS:    6 14:04:16       -6.382746         0.731155
BFGS:    7 14:04:16       -6.477883         0.540011
BFGS:    8 14:04:16       -6.545533         0.364559
BFGS:    9 14:04:16       -6.588009         0.204266
BFGS:   10 14:04:16       -6.607544         0.058596
BFGS:   11 14:04:16       -6.609421         0.003984
BFGS:   12 14:04:17       -6.609430         0.000087
BFGS:   13 14:04:17       -6.609430         0.000000
BFGS:   14 14:04:17       -6.609430         0.000000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.799659397106079e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li', 'Li', 'Li']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.17030416e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.8599247195792605, 1.5848063558366908e-32, -1.435264193475516e-34], [1.5076766688924453e-32, 4.8599247195792605, 1.2748867505704107e-17], [2.14263727881408e-34, 1.2748867505704108e-17, 4.8599247195792605]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.79965940e-13 -1.79965940e-13 -1.79965940e-13  1.46505303e-32
 -5.43613386e-36 -1.59716818e-53]
energy per atom =  -1.6523574728408343
===============================================
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 "Face-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.