element(s):
['Cl', '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:
['5.665']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cl', 'Na']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[5.665, 0, 0], [0, 5.665, 0], [0, 0, 5.665]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:02:13      -26.495836         0.278036
BFGS:    1 14:02:14      -26.499019         0.256149
BFGS:    2 14:02:14      -26.516209         0.011726
BFGS:    3 14:02:15      -26.516270         0.004797
BFGS:    4 14:02:15      -26.516264         0.007196
BFGS:    5 14:02:16      -26.516274         0.000497
BFGS:    6 14:02:16      -26.516274         0.000034
BFGS:    7 14:02:17      -26.516274         0.000000
BFGS:    8 14:02:17      -26.516274         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6737543565158504e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cl', 'Cl', 'Cl', 'Cl', 'Na', 'Na', 'Na', 'Na']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.09828793e-49 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 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [1.04939299e-74 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.6310688174278365, -2.778538894570914e-33, -1.7699932770152818e-32], [8.50581562074001e-39, 5.6310688174278365, -1.9770677290225078e-20], [-2.1270459688451704e-32, -1.9770677290249194e-20, 5.6310688174278365]])
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 =  [ 1.67375436e-12  1.67375436e-12  1.67375436e-12 -1.93696786e-28
  2.15604859e-60  5.71556536e-62]
energy per atom =  -3.314534254393629
===============================================
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.