element(s):
['Br', '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:
['7.0053']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Br', 'Rb']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[7.0053, 0, 0], [0, 7.0053, 0], [0, 0, 7.0053]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:31:21      -37.016536         4.674189
BFGS:    1 16:31:21      -37.707200         4.528706
BFGS:    2 16:31:22      -38.371356         4.319414
BFGS:    3 16:31:22      -39.000696         4.063535
BFGS:    4 16:31:22      -39.587785         3.754989
BFGS:    5 16:31:22      -40.124220         3.386955
BFGS:    6 16:31:23      -40.600516         2.951788
BFGS:    7 16:31:23      -41.007765         2.464912
BFGS:    8 16:31:23      -41.334619         1.875767
BFGS:    9 16:31:24      -41.565442         1.184905
BFGS:   10 16:31:24      -41.684685         0.385886
BFGS:   11 16:31:24      -41.697292         0.042697
BFGS:   12 16:31:24      -41.697441         0.001319
BFGS:   13 16:31:25      -41.697441         0.000004
BFGS:   14 16:31:25      -41.697441         0.000000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.167357686686771e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Br', 'Br', 'Br', 'Rb', 'Rb', 'Rb', 'Rb']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.67181289e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.35286748e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 7.83662294e-50]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [1.04488306e-49 9.41146991e-34 5.00000000e-01]]
cellpar =  Cell([[6.548366921786945, 1.8084103038928935e-32, 1.9847757358728976e-33], [2.1377475971796555e-32, 6.548366921786944, -1.7654904969332088e-17], [4.689902951033676e-33, -1.7654904969332098e-17, 6.548366921786944]])
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 =  [-1.16735769e-11 -1.16735769e-11 -1.16735769e-11  1.22907915e-28
 -2.03606729e-34  1.80754186e-51]
energy per atom =  -5.21218010521582
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0