element(s):
['Cl', 'Rb']
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:
['3.9974']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cl', 'Rb']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.9974, 0, 0], [0, 3.9974, 0], [0, 0, 3.9974]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:02:51       -5.618807         1.969177
BFGS:    1 13:02:52       -5.749245         1.064524
BFGS:    2 13:02:52       -5.781914         0.511546
BFGS:    3 13:02:52       -5.788830         0.070209
BFGS:    4 13:02:52       -5.788974         0.003837
BFGS:    5 13:02:52       -5.788974         0.000031
BFGS:    6 13:02:52       -5.788974         0.000000
BFGS:    7 13:02:52       -5.788974         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8531849325278406e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cl', 'Rb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.893746494241772, 1.8382795619844777e-32, -3.160136233470466e-32], [-9.797839890803698e-34, 3.893746494241772, -4.6555598501764496e-18], [-2.0247074151719402e-32, -4.65555985017647e-18, 3.893746494241772]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.85318493e-15  1.85318493e-15  1.85318493e-15 -1.56223757e-31
 -2.70996610e-34  4.24991815e-50]
energy per atom =  -2.8944872425363957
===============================================
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.