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 16:25:43      -42.398366         6.476698
BFGS:    1 16:25:44      -43.366022         6.420303
BFGS:    2 16:25:44      -44.322825         6.331246
BFGS:    3 16:25:44      -45.263780         6.207116
BFGS:    4 16:25:45      -46.182749         6.038236
BFGS:    5 16:25:45      -47.072827         5.820857
BFGS:    6 16:25:45      -47.926250         5.548334
BFGS:    7 16:25:46      -48.734198         5.213193
BFGS:    8 16:25:46      -49.486659         4.807028
BFGS:    9 16:25:46      -50.172285         4.320388
BFGS:   10 16:25:46      -50.781690         3.773676
BFGS:   11 16:25:47      -51.298160         3.094353
BFGS:   12 16:25:47      -51.705720         2.313003
BFGS:   13 16:25:48      -51.984919         1.386367
BFGS:   14 16:25:48      -52.114205         0.311155
BFGS:   15 16:25:48      -52.120350         0.030392
BFGS:   16 16:25:49      -52.120408         0.000582
BFGS:   17 16:25:49      -52.120408         0.000001
BFGS:   18 16:25:49      -52.120408         0.000000
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