element(s):
['F', 'Na']
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:
['4.6857']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['F', 'Na']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.6857, 0, 0], [0, 4.6857, 0], [0, 0, 4.6857]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:04:14      -30.895572         0.572326
BFGS:    1 14:04:14      -30.909194         0.538311
BFGS:    2 14:04:14      -30.973769         0.319523
BFGS:    3 14:04:14      -31.004055         0.080793
BFGS:    4 14:04:14      -31.005992         0.004900
BFGS:    5 14:04:14      -31.005999         0.000070
BFGS:    6 14:04:14      -31.005999         0.000000
BFGS:    7 14:04:15      -31.005999         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.857731684233289e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['F', 'F', 'F', 'F', 'Na', 'Na', 'Na', 'Na']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.96652772e-49 0.00000000e+00]
 [2.96652772e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 1.67000664e-34 5.00000000e-01]]
cellpar =  Cell([[4.61298751470959, 2.0225561141630148e-32, -7.769987964687929e-33], [-1.8218477445608535e-32, 4.61298751470959, -8.789393848006555e-18], [-4.789563710811141e-33, -8.789393848006538e-18, 4.61298751470959]])
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 =  [-5.85773168e-14 -5.85773168e-14 -5.85773168e-14 -2.93549732e-29
 -2.41348531e-35 -5.43233661e-51]
energy per atom =  -3.8757498680348044
===============================================
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.