element(s):
['I', 'K']
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:
['4.3387']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['I', 'K']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[4.3387, 0, 0], [0, 4.3387, 0], [0, 0, 4.3387]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:31:29       -4.566190         2.147975
BFGS:    1 11:31:29       -4.734397         1.451518
BFGS:    2 11:31:29       -4.818818         0.538493
BFGS:    3 11:31:29       -4.826664         0.132122
BFGS:    4 11:31:29       -4.827232         0.010053
BFGS:    5 11:31:29       -4.827236         0.000385
BFGS:    6 11:31:29       -4.827236         0.000000
BFGS:    7 11:31:29       -4.827236         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.088181373936131e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['I', 'K']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.186774990111995, -5.5971166786714005e-33, 7.540104802668255e-33], [-2.0557970734295332e-32, 4.186774990111995, 2.5568316419102707e-18], [1.3281689402206029e-32, 2.5568316419102534e-18, 4.186774990111995]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.08818137e-13  5.08818137e-13  5.08818137e-13  1.60665627e-28
 -8.78964288e-35 -2.85803884e-50]
energy per atom =  -2.4136177527164016
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0