element(s):
['I', '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:
['4.4866']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['I', 'Rb']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[4.4866, 0, 0], [0, 4.4866, 0], [0, 0, 4.4866]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:30:57       -9.324026         5.664929
BFGS:    1 11:30:57      -10.152615         5.296031
BFGS:    2 11:30:57      -10.881489         4.269554
BFGS:    3 11:30:57      -11.374401         2.064781
BFGS:    4 11:30:57      -11.424437         1.692152
BFGS:    5 11:30:57      -11.467474         0.253988
BFGS:    6 11:30:57      -11.468634         0.025817
BFGS:    7 11:30:57      -11.468646         0.000460
BFGS:    8 11:30:57      -11.468646         0.000001
BFGS:    9 11:30:57      -11.468646         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.811672974892672e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['I', 'Rb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.085513068676989, -8.23056096469211e-33, -1.3917070545439985e-32], [-3.353146957138641e-33, 4.085513068676989, 1.3705397856890317e-17], [2.652594791056791e-33, 1.3705397856890337e-17, 4.085513068676989]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.81167297e-13  6.81167297e-13  6.81167297e-13 -5.60369148e-29
  1.23076745e-34 -1.36434928e-50]
energy per atom =  -5.73432290365632
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0