element(s):
['Cs', 'I']
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:
['7.8526']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cs', 'I']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[7.8526, 0, 0], [0, 7.8526, 0], [0, 0, 7.8526]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:04:15      -17.323435         2.276467
BFGS:    1 14:04:16      -17.539234         2.144965
BFGS:    2 14:04:16      -17.844096         1.913699
BFGS:    3 14:04:16      -18.111367         1.642880
BFGS:    4 14:04:17      -18.334708         1.326991
BFGS:    5 14:04:17      -18.507408         0.968176
BFGS:    6 14:04:17      -18.621621         0.544420
BFGS:    7 14:04:17      -18.667450         0.054899
BFGS:    8 14:04:18      -18.667875         0.004508
BFGS:    9 14:04:18      -18.667878         0.000033
BFGS:   10 14:04:18      -18.667878         0.000000
BFGS:   11 14:04:19      -18.667878         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.558265421080517e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs', 'I', 'I', 'I', 'I']
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 4.09711514e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.45558770e-48 5.45845388e-49]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[7.5211162090989285, -5.817311509099633e-32, 1.1419328451923809e-32], [-4.944702733158019e-32, 7.5211162090989285, 5.1860362681599585e-17], [1.1313434097703702e-33, 5.18603626815996e-17, 7.5211162090989285]])
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 =  [-1.55826542e-15 -1.55826542e-15 -1.55826542e-15  7.95125571e-32
 -4.53956903e-36  1.28634377e-52]
energy per atom =  -2.333484732979953
===============================================
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.