element(s):
['Br', 'Rb']
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:
['7.0053']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Br', 'Rb']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[7.0053, 0, 0], [0, 7.0053, 0], [0, 0, 7.0053]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:02:52      -22.058367         1.789690
BFGS:    1 13:02:52      -22.186772         1.555219
BFGS:    2 13:02:52      -22.382196         1.036549
BFGS:    3 13:02:52      -22.493273         0.428546
BFGS:    4 13:02:53      -22.513306         0.048454
BFGS:    5 13:02:53      -22.513563         0.004701
BFGS:    6 13:02:53      -22.513567         0.001018
BFGS:    7 13:02:53      -22.513567         0.000094
BFGS:    8 13:02:53      -22.513567         0.000002
BFGS:    9 13:02:53      -22.513567         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.646806330932141e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Br', 'Br', 'Br', 'Rb', 'Rb', 'Rb', 'Rb']
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 8.41257146e-35]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 1.99249718e-49]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[6.868042501330596, 3.342525310570516e-32, -7.824679401193854e-33], [2.8360233394985525e-32, 6.868042501330596, -1.9359793900091255e-18], [6.678228367059968e-33, -1.935979390009129e-18, 6.868042501330596]])
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 =  [-5.64680633e-11 -5.64680633e-11 -5.64680633e-11 -2.35514133e-28
  2.11165302e-35 -2.41302815e-54]
energy per atom =  -2.814195837131021
===============================================
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.