element(s):
['Cl', 'Cs']
AFLOW prototype label:
AB_cP2_221_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:
['4.2029']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cl', 'Cs']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[4.2029, 0, 0], [0, 4.2029, 0], [0, 0, 4.2029]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:04:14       -6.079848         2.928530
BFGS:    1 14:04:14       -6.407961         2.234564
BFGS:    2 14:04:14       -6.633905         0.599199
BFGS:    3 14:04:14       -6.642788         0.308768
BFGS:    4 14:04:15       -6.645428         0.022282
BFGS:    5 14:04:15       -6.645442         0.000748
BFGS:    6 14:04:15       -6.645442         0.000002
BFGS:    7 14:04:15       -6.645442         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.877821063534358e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cl', 'Cs']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.983592619339542, 3.476940326646592e-32, 1.1277546858732005e-32], [1.3080331399594487e-32, 3.983592619339542, -7.487574639556291e-18], [-8.364281958212777e-33, -7.487574639556285e-18, 3.983592619339542]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.87782106e-12  4.87782106e-12  4.87782106e-12 -9.33755657e-29
 -7.24231284e-60  3.04581616e-60]
energy per atom =  -3.3227211841225026
===============================================
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 "CsCl" 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.