element(s):
['F', 'Rb']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.4513']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['F', 'Rb']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.4513, 0, 0], [0, 3.4513, 0], [0, 0, 3.4513]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:06:06        3.434000        32.823775
BFGS:    1 12:06:06       -0.525746        20.770363
BFGS:    2 12:06:06       -2.993682        12.674483
BFGS:    3 12:06:06       -4.460814         7.256182
BFGS:    4 12:06:06       -5.259845         3.644945
BFGS:    5 12:06:06       -5.620337         1.298542
BFGS:    6 12:06:06       -5.687699         0.363266
BFGS:    7 12:06:06       -5.694404         0.057575
BFGS:    8 12:06:06       -5.694588         0.003272
BFGS:    9 12:06:06       -5.694589         0.000032
BFGS:   10 12:06:06       -5.694589         0.000000
BFGS:   11 12:06:06       -5.694589         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.6860750818044885e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['F', 'Rb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.952714939189718, 2.3771495937278295e-33, 6.596642582007882e-33], [-2.1442524398391375e-32, 3.952714939189718, 5.0675639960796e-18], [-5.078894546592352e-33, 5.0675639960795914e-18, 3.952714939189718]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.68607508e-15 -4.68607508e-15 -4.68607508e-15 -1.61604444e-31
  1.15049907e-34  3.80917486e-51]
energy per atom =  -2.84729438182959
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0