element(s):
['Br', '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:
['4.0232']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Br', 'K']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[4.0232, 0, 0], [0, 4.0232, 0], [0, 0, 4.0232]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:24:22      -11.503585         6.385266
BFGS:    1 12:24:22      -12.409764         5.560063
BFGS:    2 12:24:22      -13.126879         3.792600
BFGS:    3 12:24:22      -13.457491         0.263422
BFGS:    4 12:24:22      -13.458459         0.092998
BFGS:    5 12:24:22      -13.458592         0.001465
BFGS:    6 12:24:22      -13.458593         0.000008
BFGS:    7 12:24:22      -13.458593         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.473825552551628e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'K']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.7158809000018027, 1.3523931981717554e-32, 7.051243412766533e-33], [-3.7530431639940754e-32, 3.7158809000018027, 1.1233125074574031e-17], [2.337764265967367e-33, 1.1233125074574017e-17, 3.7158809000018027]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.47382555e-11 -2.47382555e-11 -2.47382555e-11 -5.06833602e-27
  1.48780371e-34  2.77414887e-50]
energy per atom =  -6.7292962517330945
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0