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_001
==== 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 13:04:22       -2.347299         0.314697
BFGS:    1 13:04:22       -2.349651         0.300774
BFGS:    2 13:04:22       -2.366478         0.129674
BFGS:    3 13:04:22       -2.368256         0.045820
BFGS:    4 13:04:22       -2.368341         0.040037
BFGS:    5 13:04:22       -2.368530         0.041846
BFGS:    6 13:04:22       -2.368728         0.029098
BFGS:    7 13:04:22       -2.368820         0.009455
BFGS:    8 13:04:22       -2.368835         0.001950
BFGS:    9 13:04:22       -2.368836         0.000212
BFGS:   10 13:04:23       -2.368836         0.000014
BFGS:   11 13:04:23       -2.368836         0.000000
BFGS:   12 13:04:23       -2.368836         0.000000
Minimization converged after 12 steps.
Maximum force component: 3.2428344017683904e-32 eV/Angstrom
Maximum stress component: 4.4926694856095026e-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, -1.9479341968773898e-17, 4.311596331721985e-37], [-3.9463497368087532, 6.835278248588827, 1.0328949922361627e-36], [9.155850802407536e-40, -9.168673869320994e-36, 4.727377576892854]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-3.24283440e-32  2.80837697e-32  3.35806244e-69]
 [-1.82409435e-32  3.51047122e-33 -3.55266560e-70]]
stress =  [-4.49266949e-11 -4.49266949e-11 -2.49889040e-11 -5.79082690e-47
  9.91698121e-48 -2.18863812e-26]
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