element(s):
['Br', 'Na']
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:
['6']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Br', 'Na']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[6, 0, 0], [0, 6, 0], [0, 0, 6]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:20:51      -42.398366        6.4767
BFGS:    1 14:20:51      -43.366022        6.4203
BFGS:    2 14:20:51      -44.322825        6.3312
BFGS:    3 14:20:51      -45.263780        6.2071
BFGS:    4 14:20:51      -46.182749        6.0382
BFGS:    5 14:20:51      -47.072827        5.8209
BFGS:    6 14:20:51      -47.926250        5.5483
BFGS:    7 14:20:51      -48.734198        5.2132
BFGS:    8 14:20:51      -49.486659        4.8070
BFGS:    9 14:20:51      -50.172285        4.3204
BFGS:   10 14:20:51      -50.781690        3.7737
BFGS:   11 14:20:51      -51.298160        3.0944
BFGS:   12 14:20:51      -51.705720        2.3130
BFGS:   13 14:20:51      -51.984919        1.3864
BFGS:   14 14:20:51      -52.114205        0.3112
BFGS:   15 14:20:51      -52.120350        0.0304
BFGS:   16 14:20:51      -52.120408        0.0006
BFGS:   17 14:20:51      -52.120408        0.0000
BFGS:   18 14:20:52      -52.120408        0.0000
Minimization converged after 18 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6494883842902633e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Br', 'Br', 'Br', 'Na', 'Na', 'Na', 'Na']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.52405550e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.76202775e-35]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 3.12999005e-50]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [6.25998009e-50 5.28608325e-35 5.00000000e-01]]
cellpar =  Cell([[5.465095379143036, -8.479920441876346e-33, -2.9726117937169834e-33], [-8.148076594482574e-33, 5.465095379143036, 1.5626374613517021e-18], [2.6564006366582402e-33, 1.562637461351696e-18, 5.465095379143036]])
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 =  [-1.64948838e-12 -1.64948838e-12 -1.64948838e-12  7.26815080e-30
  5.41656900e-34 -6.22138669e-51]
energy per atom =  -6.5150509522425555
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0