element(s):
['Cl', 'Li']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1545']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cl', 'Li']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[5.1545, 0, 0], [0, 5.1545, 0], [0, 0, 5.1545]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:02:52      -28.613931         0.180342
BFGS:    1 13:02:53      -28.615272         0.166566
BFGS:    2 13:02:53      -28.622922         0.004135
BFGS:    3 13:02:53      -28.622926         0.000093
BFGS:    4 13:02:53      -28.622926         0.000000
BFGS:    5 13:02:53      -28.622926         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.621197217558777e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cl', 'Cl', 'Cl', 'Cl', 'Li', 'Li', 'Li', 'Li']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.33233597e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.86230743e-37]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 6.66467193e-50]
 [0.00000000e+00 5.00000000e-01 5.86230743e-37]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.133244163406779, 1.600831940023955e-33, 5.282126600152511e-33], [-1.994312551891547e-33, 5.133244163406779, 4.426415357094588e-20], [3.59563416364589e-36, 4.4264153570947825e-20, 5.133244163406779]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.62119722e-14 -3.62119722e-14 -3.62119722e-14  8.41648226e-30
 -1.11715437e-65 -1.59384837e-63]
energy per atom =  -3.577865808117698
===============================================
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 "Rock Salt" 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.