element(s):
['K']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.2674']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['K']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[5.2674, 0, 0], [0, 5.2674, 0], [0, 0, 5.2674]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:58:26       -1.823762        0.5055
BFGS:    1 17:58:26       -1.834208        0.4584
BFGS:    2 17:58:26       -1.874854        0.0621
BFGS:    3 17:58:26       -1.875447        0.0122
BFGS:    4 17:58:26       -1.875470        0.0002
BFGS:    5 17:58:26       -1.875470        0.0000
BFGS:    6 17:58:26       -1.875470        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1078279028309363e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[5.099393243189623, -1.1386680578240134e-32, 9.673216900248439e-34], [-1.491117518892633e-32, 5.099393243189623, 2.438972090135308e-19], [-4.691199477059448e-33, 2.438972090135327e-19, 5.099393243189623]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.10782790e-12 -1.10782790e-12 -1.10782790e-12 -8.65091123e-29
  2.99613910e-62 -1.68792446e-61]
energy per atom =  -0.9377349773520939
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0