element(s):
['F', 'Li']
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:
['2.5617']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['F', 'Li']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.5617, 0, 0], [0, 2.5617, 0], [0, 0, 2.5617]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:02:52       -7.455041         1.341974
BFGS:    1 13:02:52       -7.526542         1.138494
BFGS:    2 13:02:52       -7.654818         0.588602
BFGS:    3 13:02:52       -7.683555         0.314781
BFGS:    4 13:02:52       -7.689550         0.073810
BFGS:    5 13:02:52       -7.689944         0.005226
BFGS:    6 13:02:52       -7.689946         0.000095
BFGS:    7 13:02:52       -7.689946         0.000000
BFGS:    8 13:02:52       -7.689946         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.6618849390383264e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['F', 'Li']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.4268192972286773, -1.6970552105024777e-32, 3.904483928457873e-33], [-9.214910297375669e-33, 2.4268192972286773, 3.822289048738521e-18], [1.5521154486821864e-34, 3.8222890487385185e-18, 2.4268192972286764]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.66188494e-13  3.66188494e-13  3.66188494e-13  1.90147561e-29
 -2.09288604e-33 -8.16358908e-50]
energy per atom =  -3.8449729185698684
===============================================
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.