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 15:14:51       -7.106421        3.5895
BFGS:    1 15:14:51       -7.629757        3.7538
BFGS:    2 15:14:52       -8.162020        3.8704
BFGS:    3 15:14:52       -8.691886        3.9130
BFGS:    4 15:14:52       -9.204385        3.8605
BFGS:    5 15:14:52       -9.682038        3.6409
BFGS:    6 15:14:52      -10.101046        3.2061
BFGS:    7 15:14:52      -10.431149        2.4526
BFGS:    8 15:14:52      -10.637571        1.2503
BFGS:    9 15:14:52      -10.678849        0.5260
BFGS:   10 15:14:52      -10.686125        0.0810
BFGS:   11 15:14:52      -10.686247        0.0109
BFGS:   12 15:14:52      -10.686249        0.0032
BFGS:   13 15:14:52      -10.686249        0.0007
BFGS:   14 15:14:52      -10.686249        0.0001
BFGS:   15 15:14:52      -10.686249        0.0000
BFGS:   16 15:14:52      -10.686249        0.0000
BFGS:   17 15:14:52      -10.686249        0.0000
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