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 14:46:29      -11.503585        6.3853
BFGS:    1 14:46:29      -12.409764        5.5601
BFGS:    2 14:46:29      -13.126879        3.7926
BFGS:    3 14:46:29      -13.457491        0.2634
BFGS:    4 14:46:29      -13.458459        0.0930
BFGS:    5 14:46:29      -13.458592        0.0015
BFGS:    6 14:46:29      -13.458593        0.0000
BFGS:    7 14:46:29      -13.458593        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.4737626569750263e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'K']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.715880900001803, 2.848570963221302e-32, 3.3429631816517754e-32], [-4.039716276854453e-33, 3.715880900001803, 8.331205051109384e-18], [2.753872557018357e-33, 8.331205051109409e-18, 3.715880900001803]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.47376266e-11 -2.47376266e-11 -2.47376266e-11 -4.88432134e-27
  5.95121485e-34 -7.70374465e-50]
energy per atom =  -6.729296251733097
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0