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:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== 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 16:22:00       -1.645627         0.483842
BFGS:    1 16:22:00       -1.655179         0.437041
BFGS:    2 16:22:00       -1.691267         0.020103
BFGS:    3 16:22:00       -1.691326         0.003794
BFGS:    4 16:22:00       -1.691328         0.000025
BFGS:    5 16:22:00       -1.691328         0.000000
BFGS:    6 16:22:00       -1.691328         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.9915374103103574e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb', 'Rb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[5.487757384234924, 1.1979103052176012e-32, 2.980594498242176e-32], [7.16231144239384e-33, 5.487757384234924, -7.193088393949609e-19], [8.351983919954662e-33, -7.193088393948676e-19, 5.487757384234924]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.99153741e-15 -2.99153741e-15 -2.99153741e-15 -6.19605400e-31
 -3.40808629e-35 -3.19258346e-51]
energy per atom =  -0.845664207471541
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0