element(s):
['Rb']
AFLOW prototype label:
A_hP3_191_ad
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.9877', '0.60980007']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Rb', 'Rb']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]]
spacegroup =  191
cell =  [[7.9877, 0, 0], [-3.99385, 6.917551117809, 0], [0, 0, 4.8709]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:14:39       -2.347299        0.3147
BFGS:    1 15:14:39       -2.349651        0.3008
BFGS:    2 15:14:40       -2.366478        0.1297
BFGS:    3 15:14:40       -2.368256        0.0458
BFGS:    4 15:14:40       -2.368341        0.0400
BFGS:    5 15:14:40       -2.368530        0.0418
BFGS:    6 15:14:40       -2.368728        0.0291
BFGS:    7 15:14:40       -2.368820        0.0095
BFGS:    8 15:14:40       -2.368835        0.0019
BFGS:    9 15:14:40       -2.368836        0.0002
BFGS:   10 15:14:40       -2.368836        0.0000
BFGS:   11 15:14:40       -2.368836        0.0000
BFGS:   12 15:14:40       -2.368836        0.0000
Minimization converged after 12 steps.
Maximum force component: 3.510471215246924e-33 eV/Angstrom
Maximum stress component: 4.4926668328319374e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb', 'Rb', 'Rb']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]
 [0.66666667 0.33333333 0.5       ]]
cellpar =  Cell([[7.8926994736175065, -1.9384840474035286e-17, 7.318126958488961e-37], [-3.9463497368087532, 6.835278248588828, 7.353759354259469e-38], [1.0358667602278509e-36, -7.079910460244945e-35, 4.727377576892854]])
forces =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.02677150e-33 3.51047122e-33 4.13612863e-70]]
stress =  [-4.49266683e-11 -4.49266683e-11 -2.49889044e-11 -4.54076027e-46
  8.73868200e-47 -6.26518114e-27]
energy per atom =  -0.7896118421554266
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0