element(s):
['Br', 'Cs']
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:
['4.3829']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Br', 'Cs']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[4.3829, 0, 0], [0, 4.3829, 0], [0, 0, 4.3829]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:24:23       -9.947348         1.058149
BFGS:    1 12:24:23       -9.976923         0.223430
BFGS:    2 12:24:23       -9.978155         0.022713
BFGS:    3 12:24:23       -9.978168         0.000561
BFGS:    4 12:24:23       -9.978168         0.000001
BFGS:    5 12:24:23       -9.978168         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.250668351131047e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Cs']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.341704473850879, 1.8910243236051398e-33, 7.46756856929608e-34], [-2.538892657144647e-36, 4.341704473850879, 2.097908570105048e-20], [-6.6519885867280815e-34, 2.0979085701051076e-20, 4.341704473850879]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.25066835e-12 -1.25066835e-12 -1.25066835e-12 -4.31686747e-29
 -2.17960947e-34 -5.64967033e-51]
energy per atom =  -4.989083831572846
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0