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 11:11:59      -30.878373         4.488460
BFGS:    1 11:11:59      -31.546804         4.419792
BFGS:    2 11:11:59      -32.202976         4.324425
BFGS:    3 11:11:59      -32.843684         4.207305
BFGS:    4 11:11:59      -33.463243         4.047342
BFGS:    5 11:11:59      -34.055925         3.848132
BFGS:    6 11:11:59      -34.615458         3.604414
BFGS:    7 11:11:59      -35.134730         3.310274
BFGS:    8 11:11:59      -35.605689         2.959071
BFGS:    9 11:11:59      -36.020950         2.564870
BFGS:   10 11:11:59      -36.370075         2.077244
BFGS:   11 11:11:59      -36.641540         1.523304
BFGS:   12 11:11:59      -36.821614         0.861260
BFGS:   13 11:11:59      -36.894682         0.094439
BFGS:   14 11:11:59      -36.895484         0.007886
BFGS:   15 11:11:59      -36.895490         0.000064
BFGS:   16 11:11:59      -36.895490         0.000000
BFGS:   17 11:11:59      -36.895490         0.000000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.101999978708474e-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]
 [5.96840402e-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 8.82826428e-49 3.18314881e-48]
 [8.95260603e-49 5.00000000e-01 3.35991277e-34]
 [3.97893601e-49 4.47988369e-34 5.00000000e-01]]
cellpar =  Cell([[6.878499813142504, -3.8258307171646544e-34, 1.067053389102453e-31], [-4.03129001454863e-33, 6.878499813142504, 7.948378946927117e-18], [-4.260903726492342e-32, 7.948378946927314e-18, 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 =  [-5.10199998e-15 -5.10199998e-15 -5.10199998e-15  3.29913498e-32
 -3.69063142e-34 -4.45762330e-50]
energy per atom =  -4.611936200042133
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0