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_000
==== 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 17:05:19       -5.981526         1.860063
BFGS:    1 17:05:20       -6.098645         1.064413
BFGS:    2 17:05:20       -6.138078         0.405176
BFGS:    3 17:05:21       -6.143218         0.048875
BFGS:    4 17:05:22       -6.143299         0.001904
BFGS:    5 17:05:22       -6.143299         0.000009
BFGS:    6 17:05:23       -6.143299         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.84126408581272e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cl', 'K']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.737925627838816, -3.837735127102512e-33, -1.355997432225066e-32], [4.44256725786121e-33, 3.737925627838816, -4.016527980590992e-18], [1.380221992446593e-32, -4.0165279805910184e-18, 3.737925627838816]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.84126409e-11  6.84126409e-11  6.84126409e-11 -6.05504280e-27
 -1.57529400e-58  5.25677298e-60]
energy per atom =  -3.0716494795395315
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0