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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 12:24:23      -15.282481         7.745273
BFGS:    1 12:24:23      -16.343277         6.192976
BFGS:    2 12:24:23      -17.064333         3.125158
BFGS:    3 12:24:23      -17.147183         2.567870
BFGS:    4 12:24:23      -17.216038         0.408597
BFGS:    5 12:24:23      -17.218144         0.042898
BFGS:    6 12:24:23      -17.218167         0.000842
BFGS:    7 12:24:23      -17.218167         0.000002
BFGS:    8 12:24:23      -17.218167         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.670608948594415e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cl', 'K']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.589140466574517, -1.2043511627570027e-32, 1.523763857821508e-32], [1.1483198836194171e-32, 3.589140466574517, 9.029739004423265e-18], [-4.860418623299121e-33, 9.029739004423283e-18, 3.589140466574517]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.67060895e-12  2.67060895e-12  2.67060895e-12  6.58093858e-28
 -1.46110387e-60 -5.88100708e-61]
energy per atom =  -8.609083660533718
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0