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 16:10:46       -4.695873         3.590653
BFGS:    1 16:10:46       -5.253300         3.829666
BFGS:    2 16:10:46       -5.837484         3.928731
BFGS:    3 16:10:46       -6.421087         3.797642
BFGS:    4 16:10:46       -6.954956         3.208536
BFGS:    5 16:10:46       -7.344941         1.834618
BFGS:    6 16:10:46       -7.438112         0.874101
BFGS:    7 16:10:46       -7.453821         0.190300
BFGS:    8 16:10:46       -7.454713         0.015031
BFGS:    9 16:10:46       -7.454719         0.000291
BFGS:   10 16:10:46       -7.454719         0.000000
BFGS:   11 16:10:46       -7.454719         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8814081127242864e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb', 'Rb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.843014926730033, 3.7759598477845645e-32, -6.591935255904912e-33], [1.3182390958805715e-32, 4.8430149267300315, 3.955531634956981e-18], [-2.0609536222005258e-32, 3.955531634957102e-18, 4.843014926730033]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [1.88140811e-13 1.88140811e-13 1.88140811e-13 3.06913834e-29
 8.75865851e-35 2.85174446e-52]
energy per atom =  -3.727359477914553
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0