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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 16:05:03       -7.106421         3.589500
BFGS:    1 16:05:03       -7.629757         3.753773
BFGS:    2 16:05:03       -8.162020         3.870434
BFGS:    3 16:05:03       -8.691886         3.912973
BFGS:    4 16:05:03       -9.204385         3.860530
BFGS:    5 16:05:03       -9.682038         3.640918
BFGS:    6 16:05:03      -10.101046         3.206077
BFGS:    7 16:05:03      -10.431149         2.452591
BFGS:    8 16:05:03      -10.637571         1.250349
BFGS:    9 16:05:03      -10.678849         0.525959
BFGS:   10 16:05:03      -10.686125         0.080970
BFGS:   11 16:05:03      -10.686247         0.010864
BFGS:   12 16:05:03      -10.686249         0.003246
BFGS:   13 16:05:03      -10.686249         0.000704
BFGS:   14 16:05:03      -10.686249         0.000086
BFGS:   15 16:05:03      -10.686249         0.000007
BFGS:   16 16:05:03      -10.686249         0.000000
BFGS:   17 16:05:03      -10.686249         0.000000
Minimization converged after 17 steps.
Maximum force component: 1.985560711608217e-31 eV/Angstrom
Maximum stress component: 2.8972446804191523e-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([[6.975307329860963, 9.939415283862933e-18, -1.1466216704696468e-36], [-3.4876536649304817, 6.040793346863391, 2.36506463797143e-36], [1.2248275250958369e-36, 5.332622568264932e-35, 4.16194064168932]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.14636401e-31  1.98556071e-31  8.01560611e-34]
 [-1.14636401e-31 -1.98556071e-31 -4.00492509e-68]]
stress =  [ 2.89724468e-11  2.89724468e-11 -1.49332601e-12  4.08553893e-35
 -7.07636100e-35 -6.88159788e-27]
energy per atom =  -3.5620829688488094
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0