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 20:15:41     -179.868737        10.038757
BFGS:    1 20:15:41     -181.041762         5.691750
BFGS:    2 20:15:41     -181.606801         1.890716
BFGS:    3 20:15:41     -181.682515         0.157262
BFGS:    4 20:15:41     -181.683065         0.005421
BFGS:    5 20:15:41     -181.683066         0.000016
BFGS:    6 20:15:41     -181.683066         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1138850946094337e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'B', 'B', 'Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [3.4260389e-50 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]
 [5.0000000e-01 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 0.0000000e+00]
 [0.0000000e+00 0.0000000e+00 5.0000000e-01]]
cellpar =  Cell([[4.99284877707443, -3.0190103841374658e-34, -7.522344764136807e-35], [-1.5656448913753916e-33, 4.99284877707443, 5.801577411528152e-19], [8.023486835478216e-35, 5.801577411528167e-19, 4.99284877707443]])
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 =  [-1.11388509e-10 -1.11388509e-10 -1.11388509e-10 -2.11197375e-28
 -4.61487999e-33 -6.96905541e-51]
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