element(s):
['Br', 'Rb']
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:
['4.1915']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Br', 'Rb']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[4.1915, 0, 0], [0, 4.1915, 0], [0, 0, 4.1915]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:46:29      -10.672192        4.7153
BFGS:    1 14:46:29      -11.283537        3.2935
BFGS:    2 14:46:29      -11.589378        0.5113
BFGS:    3 14:46:29      -11.593854        0.1987
BFGS:    4 14:46:29      -11.594588        0.0074
BFGS:    5 14:46:29      -11.594589        0.0001
BFGS:    6 14:46:29      -11.594589        0.0000
BFGS:    7 14:46:29      -11.594589        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0852884586804798e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Rb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.9678607274151263, 1.499364998250931e-32, 1.9864378007408025e-32], [-1.8597315565677294e-32, 3.9678607274151263, -4.926309421782356e-18], [-1.1277016581643759e-32, -4.926309421782336e-18, 3.9678607274151263]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.08528846e-14  1.08528846e-14  1.08528846e-14 -2.22160224e-30
  1.63104665e-35 -1.45615266e-51]
energy per atom =  -5.7972943774516725
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0