element(s):
['Rb']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.6544']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Rb']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[5.6544, 0, 0], [0, 5.6544, 0], [0, 0, 5.6544]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:07:53       -4.695873        3.5907
BFGS:    1 18:07:53       -5.253300        3.8297
BFGS:    2 18:07:53       -5.837484        3.9287
BFGS:    3 18:07:53       -6.421087        3.7976
BFGS:    4 18:07:53       -6.954956        3.2085
BFGS:    5 18:07:53       -7.344941        1.8346
BFGS:    6 18:07:53       -7.438112        0.8741
BFGS:    7 18:07:53       -7.453821        0.1903
BFGS:    8 18:07:53       -7.454713        0.0150
BFGS:    9 18:07:53       -7.454719        0.0003
BFGS:   10 18:07:53       -7.454719        0.0000
BFGS:   11 18:07:53       -7.454719        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8817094711129344e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb', 'Rb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.843014926730032, 1.5133303611385908e-33, -4.452344996173382e-32], [-1.4910439566677935e-32, 4.843014926730032, -1.2724334112530672e-16], [-7.17618285714996e-34, -1.2724334112530672e-16, 4.843014926730032]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.88170947e-13  1.88170947e-13  1.88170947e-13 -5.56986222e-30
 -1.53276524e-34  2.20632192e-51]
energy per atom =  -3.727359477914552
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0