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:
Tersoff_LAMMPS_DawLawsonBauschlicher_2011pot2_ZrB__MO_728716510644_000
==== 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 14:17:49      -44.956134        0.9096
BFGS:    1 14:17:49      -44.991301        0.8943
BFGS:    2 14:17:49      -45.119845        0.8132
BFGS:    3 14:17:49      -45.233110        0.6890
BFGS:    4 14:17:49      -45.323958        0.5130
BFGS:    5 14:17:49      -45.384066        0.2782
BFGS:    6 14:17:49      -45.404224        0.0203
BFGS:    7 14:17:49      -45.404316        0.0021
BFGS:    8 14:17:49      -45.404317        0.0000
BFGS:    9 14:17:49      -45.404317        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.90599799753746e-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]
 [2.87791544e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.24024472e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [5.75583088e-49 5.00000000e-01 1.62012236e-34]
 [2.87791544e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.755023422709648, -4.876143019936437e-33, 9.055719443478349e-33], [-2.145118013189477e-32, 4.755023422709648, -8.479817672279436e-18], [-6.375547246450587e-33, -8.479817672279436e-18, 4.755023422709648]])
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 =  [-5.90599800e-10 -5.90599800e-10 -5.90599800e-10 -4.12659967e-26
 -6.36007048e-34 -1.48263224e-50]
energy per atom =  -5.675539665960088
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0