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 16:05:49       -9.947348         1.058149
BFGS:    1 16:05:49       -9.976923         0.223430
BFGS:    2 16:05:49       -9.978155         0.022713
BFGS:    3 16:05:49       -9.978168         0.000561
BFGS:    4 16:05:49       -9.978168         0.000001
BFGS:    5 16:05:49       -9.978168         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.252140638526789e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Cs']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.341704473850878, -7.572382359116377e-33, -1.9346946130305326e-33], [-9.70171939288674e-33, 4.341704473850878, 1.8207120183811514e-20], [1.0160991036120044e-32, 1.8207120183794722e-20, 4.341704473850878]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.25214064e-12 -1.25214064e-12 -1.25214064e-12  1.28449293e-28
 -2.17960947e-34 -3.75510693e-52]
energy per atom =  -4.989083831572844
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0