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 15:19:04       -9.324026        5.6649
BFGS:    1 15:19:04      -10.152615        5.2960
BFGS:    2 15:19:04      -10.881489        4.2696
BFGS:    3 15:19:04      -11.374401        2.0648
BFGS:    4 15:19:05      -11.424437        1.6922
BFGS:    5 15:19:05      -11.467474        0.2540
BFGS:    6 15:19:05      -11.468634        0.0258
BFGS:    7 15:19:05      -11.468646        0.0005
BFGS:    8 15:19:05      -11.468646        0.0000
BFGS:    9 15:19:05      -11.468646        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.79988582018173e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['I', 'Rb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.085513068676988, -6.415422850964519e-33, 6.534241723497732e-33], [-3.6441842468536155e-32, 4.085513068676988, 1.2567150842688753e-16], [5.397350939125058e-32, 1.256715084268875e-16, 4.085513068676988]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.79988582e-13  6.79988582e-13  6.79988582e-13 -1.70681758e-30
  7.69229655e-36 -4.78914207e-52]
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