element(s):
['F', '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:
['3.4513']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['F', 'Rb']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.4513, 0, 0], [0, 3.4513, 0], [0, 0, 3.4513]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:18:52       -5.303885        1.2816
BFGS:    1 15:18:52       -5.361399        0.7950
BFGS:    2 15:18:52       -5.388158        0.2576
BFGS:    3 15:18:52       -5.390578        0.0334
BFGS:    4 15:18:53       -5.390621        0.0012
BFGS:    5 15:18:53       -5.390621        0.0000
BFGS:    6 15:18:53       -5.390621        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.944697813998211e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['F', 'Rb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.3792108708136204, -1.0431538667033004e-32, 1.9059109135181823e-34], [-1.46174452064017e-32, 3.3792108708136204, 1.1515878345240347e-17], [2.4266540479298318e-34, 1.1515878345240347e-17, 3.3792108708136204]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.94469781e-11  4.94469781e-11  4.94469781e-11 -3.09803420e-28
  7.19612359e-34 -2.51210309e-51]
energy per atom =  -2.695310643505488
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0