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 16:37:47      -69.271705        12.926265
BFGS:    1 16:37:48      -70.225191         7.108625
BFGS:    2 16:37:48      -70.637512         3.760575
BFGS:    3 16:37:48      -70.891022         1.740386
BFGS:    4 16:37:48      -70.930714         0.211635
BFGS:    5 16:37:48      -70.931051         0.009544
BFGS:    6 16:37:48      -70.931052         0.000487
BFGS:    7 16:37:49      -70.931052         0.000000
BFGS:    8 16:37:49      -70.931052         0.000000
Minimization converged after 8 steps.
Maximum force component: 4.33562760392828e-31 eV/Angstrom
Maximum stress component: 1.7169800811141894e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'Zr']
basis =  [[3.33333330e-01 6.66666670e-01 1.00308851e-36]
 [6.66666663e-01 3.33333337e-01 1.63975340e-36]
 [9.99999997e-01 3.33333331e-09 5.00000000e-01]]
cellpar =  Cell([[3.297636560691459, -2.315813005031786e-19, 1.3831397884395423e-37], [-1.6488182803457294, 2.8558370340071484, -8.507151544065006e-36], [1.0239177244893508e-35, 2.49104102301867e-35, 3.388498338640598]])
forces =  [[-4.33562760e-31  3.75476365e-31 -1.12758575e-66]
 [ 4.33562760e-31 -3.75476365e-31  1.12758575e-66]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.71698008e-12 -1.71698008e-12 -8.96586932e-13 -2.49970884e-32
 -7.99739229e-33  7.54916970e-28]
energy per atom =  -23.643684036674273
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0