element(s):
['B', 'Zr']
AFLOW prototype label:
A2B_hP3_191_c_b
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1767', '1.1184248']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'Zr']
representative atom coordinates =  [[0.33333333 0.66666667 0.        ]
 [0.         0.         0.5       ]]
spacegroup =  191
cell =  [[3.1767, 0, 0], [-1.58835, 2.751102900202, 0], [0, 0, 3.5529]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:19:34      -69.271705        12.926265
BFGS:    1 10:19:35      -70.225191         7.108625
BFGS:    2 10:19:35      -70.637512         3.760575
BFGS:    3 10:19:36      -70.891022         1.740386
BFGS:    4 10:19:36      -70.930714         0.211635
BFGS:    5 10:19:36      -70.931051         0.009544
BFGS:    6 10:19:37      -70.931052         0.000487
BFGS:    7 10:19:37      -70.931052         0.000000
BFGS:    8 10:19:38      -70.931052         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6864608842321472e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'Zr']
basis =  [[3.33333330e-01 6.66666670e-01 0.00000000e+00]
 [6.66666663e-01 3.33333337e-01 0.00000000e+00]
 [9.99999997e-01 3.33333331e-09 5.00000000e-01]]
cellpar =  Cell([[3.2976365606914615, -2.318395361085968e-19, -1.762969534384833e-36], [-1.6488182803457307, 2.85583703400715, -5.445694481393413e-36], [-1.9484673251988434e-36, -3.385789309289203e-35, 3.3884983386405985]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.68646088e-12 -1.68646088e-12 -8.73160380e-13 -3.39663198e-33
 -5.88313916e-33  3.34784397e-28]
energy per atom =  -23.64368403667427
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0