element(s):
['Br', '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:
['6']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Br', 'Na']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[6, 0, 0], [0, 6, 0], [0, 0, 6]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:02:12      -24.014479         0.224792
BFGS:    1 14:02:12      -24.016576         0.210602
BFGS:    2 14:02:13      -24.031306         0.021430
BFGS:    3 14:02:13      -24.031811         0.027078
BFGS:    4 14:02:14      -24.029134         0.095263
BFGS:    5 14:02:15      -24.032023         0.000770
BFGS:    6 14:02:15      -24.032023         0.000011
BFGS:    7 14:02:15      -24.032023         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.192219861526164e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Br', 'Br', 'Br', '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 5.17581954e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.58790977e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 2.58790977e-34 5.00000000e-01]]
cellpar =  Cell([[5.953623161779765, 1.9874058570374383e-32, 2.2217544904049098e-33], [2.0747028891831365e-32, 5.953623161779765, 1.609612714498158e-17], [1.5810108063672206e-33, 1.609612714498159e-17, 5.953623161779765]])
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 =  [-5.19221986e-11 -5.19221986e-11 -5.19221986e-11 -5.15340151e-28
 -5.79570837e-35  7.47250782e-52]
energy per atom =  -3.004002921864508
===============================================
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.