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:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== 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 14:46:17       -4.763468        2.0377
BFGS:    1 14:46:17       -4.907964        1.2096
BFGS:    2 14:46:17       -4.944902        0.8240
BFGS:    3 14:46:17       -4.961598        0.1418
BFGS:    4 14:46:17       -4.962189        0.0133
BFGS:    5 14:46:17       -4.962194        0.0002
BFGS:    6 14:46:17       -4.962194        0.0000
BFGS:    7 14:46:17       -4.962194        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.867188124812827e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Rb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.071648876704799, -5.8500276500890035e-33, 1.5754872410245355e-33], [-1.1280293717782135e-32, 4.071648876704799, -5.712668458002246e-19], [-1.2630243036129268e-33, -5.712668458002228e-19, 4.071648876704799]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.86718812e-13  3.86718812e-13  3.86718812e-13  1.44020430e-30
  1.23916338e-34 -2.30069194e-52]
energy per atom =  -2.4810970454107033
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0