element(s):
['B', 'Zr']
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:
['4.9147']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'Zr']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.9147, 0, 0], [0, 4.9147, 0], [0, 0, 4.9147]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:18:00     -179.868737       10.0388
BFGS:    1 14:18:00     -181.041762        5.6917
BFGS:    2 14:18:00     -181.606801        1.8907
BFGS:    3 14:18:00     -181.682515        0.1573
BFGS:    4 14:18:00     -181.683065        0.0054
BFGS:    5 14:18:00     -181.683066        0.0000
BFGS:    6 14:18:00     -181.683066        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1138372617910779e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'B', 'B', 'Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.42603890e-50 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 8.56509726e-51 0.00000000e+00]
 [3.42603890e-50 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.992848777074431, -5.106678499892946e-34, -1.5572564456301976e-33], [-1.3331346139693705e-33, 4.992848777074431, 5.805654249301309e-19], [1.3852758851741795e-33, 5.805654249301297e-19, 4.992848777074431]])
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 =  [-1.11383726e-10 -1.11383726e-10 -1.11383726e-10  5.29742484e-27
  2.66539454e-59 -7.34589274e-60]
energy per atom =  -22.71038325868087
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0