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:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== 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 11:22:59       -4.939393         3.157671
BFGS:    1 11:22:59       -5.284087         1.740783
BFGS:    2 11:22:59       -5.315153         1.769369
BFGS:    3 11:22:59       -5.364622         0.331849
BFGS:    4 11:22:59       -5.366911         0.049173
BFGS:    5 11:22:59       -5.366960         0.001576
BFGS:    6 11:22:59       -5.366960         0.000008
BFGS:    7 11:22:59       -5.366960         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.293438372053109e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'K']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.8732202146878802, -1.4766497194157526e-32, -1.3170930813928147e-32], [-7.870388105536871e-33, 3.8732202146878802, 8.443967584151623e-18], [1.669219900468246e-32, 8.443967584151597e-18, 3.8732202146878802]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.29343837e-11  4.29343837e-11  4.29343837e-11 -2.65921103e-28
  1.64325921e-33  7.30726425e-50]
energy per atom =  -2.683480150729938
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0