element(s):
['Cl', '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:
['3.8405']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cl', 'K']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.8405, 0, 0], [0, 3.8405, 0], [0, 0, 3.8405]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:24:10       -5.981526         1.860063
BFGS:    1 12:24:10       -6.098645         1.064413
BFGS:    2 12:24:10       -6.138078         0.405176
BFGS:    3 12:24:10       -6.143218         0.048875
BFGS:    4 12:24:10       -6.143299         0.001904
BFGS:    5 12:24:10       -6.143299         0.000009
BFGS:    6 12:24:10       -6.143299         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.841286444695796e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cl', 'K']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.7379256278388167, -7.104431278920547e-33, 4.8756804903094085e-33], [-1.9769198117514767e-32, 3.7379256278388167, -4.590238421490727e-18], [4.02495392553337e-34, -4.590238421490724e-18, 3.7379256278388167]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.84128644e-11  6.84128644e-11  6.84128644e-11 -2.73962461e-28
  1.91056278e-59 -4.15469334e-59]
energy per atom =  -3.071649479539531
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0