element(s):
['I', 'Rb']
AFLOW prototype label:
AB_cF8_225_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:
['7.4926']
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 =  225
cell =  [[7.4926, 0, 0], [0, 7.4926, 0], [0, 0, 7.4926]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:33:59      -30.878373        4.4885
BFGS:    1 14:33:59      -31.546804        4.4198
BFGS:    2 14:33:59      -32.202976        4.3244
BFGS:    3 14:33:59      -32.843684        4.2073
BFGS:    4 14:33:59      -33.463243        4.0473
BFGS:    5 14:33:59      -34.055925        3.8481
BFGS:    6 14:33:59      -34.615458        3.6044
BFGS:    7 14:33:59      -35.134730        3.3103
BFGS:    8 14:33:59      -35.605689        2.9591
BFGS:    9 14:33:59      -36.020950        2.5649
BFGS:   10 14:33:59      -36.370075        2.0772
BFGS:   11 14:33:59      -36.641540        1.5233
BFGS:   12 14:33:59      -36.821614        0.8613
BFGS:   13 14:33:59      -36.894682        0.0944
BFGS:   14 14:33:59      -36.895484        0.0079
BFGS:   15 14:33:59      -36.895490        0.0001
BFGS:   16 14:33:59      -36.895490        0.0000
BFGS:   17 14:33:59      -36.895490        0.0000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.250635397436383e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['I', 'I', 'I', 'I', 'Rb', 'Rb', 'Rb', 'Rb']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.97893601e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.95787203e-49 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[6.878499813142504, -3.864280532489299e-32, 1.0228985737506119e-32], [-3.9551400200449236e-32, 6.878499813142504, 4.03465325804568e-17], [-4.848948094415018e-33, 4.034653258045681e-17, 6.878499813142504]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.25063540e-15 -5.25063540e-15 -5.25063540e-15  2.53161137e-31
  4.34191932e-35 -1.46997497e-51]
energy per atom =  -4.61193620004213
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0