element(s):
['B', 'Hf']
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:
['3.1443', '1.1104538']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'Hf']
representative atom coordinates =  [[0.33333333 0.66666667 0.        ]
 [0.         0.         0.5       ]]
spacegroup =  191
cell =  [[3.1443, 0, 0], [-1.57215, 2.7230436771194, 0], [0, 0, 3.4916]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:17:49      -71.876729        25.211114
BFGS:    1 09:17:50      -73.747099        12.620817
BFGS:    2 09:17:50      -74.533068         8.113797
BFGS:    3 09:17:50      -75.015880         1.872247
BFGS:    4 09:17:50      -75.045284         0.275194
BFGS:    5 09:17:50      -75.045931         0.010310
BFGS:    6 09:17:50      -75.045932         0.000280
BFGS:    7 09:17:50      -75.045932         0.000041
BFGS:    8 09:17:51      -75.045932         0.000000
BFGS:    9 09:17:51      -75.045932         0.000000
Minimization converged after 9 steps.
Maximum force component: 4.343591953649178e-31 eV/Angstrom
Maximum stress component: 9.33490938932003e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'Hf']
basis =  [[3.33333330e-01 6.66666670e-01 0.00000000e+00]
 [6.66666663e-01 3.33333337e-01 0.00000000e+00]
 [9.99999997e-01 3.33333355e-09 5.00000000e-01]]
cellpar =  Cell([[3.303694168313933, 4.1570437201663916e-17, -2.073551523448816e-37], [-1.6518470841569666, 2.8610830760943697, -8.258435842030136e-37], [-2.2087733002702677e-37, 9.24594776245325e-35, 3.382019668398564]])
forces =  [[ 1.62884698e-31 -2.82124573e-31 -1.91063633e-32]
 [-4.34359195e-31  3.76166098e-31 -9.49480885e-68]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-9.33490939e-12 -9.33490939e-12  1.18106395e-13 -1.69844934e-33
 -2.94180056e-33 -1.73158976e-27]
energy per atom =  -25.015310544837394
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0