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 16:37:47      -71.876729        25.211114
BFGS:    1 16:37:47      -73.747099        12.620817
BFGS:    2 16:37:47      -74.533068         8.113797
BFGS:    3 16:37:47      -75.015880         1.872247
BFGS:    4 16:37:47      -75.045284         0.275194
BFGS:    5 16:37:47      -75.045931         0.010310
BFGS:    6 16:37:47      -75.045932         0.000280
BFGS:    7 16:37:47      -75.045932         0.000041
BFGS:    8 16:37:47      -75.045932         0.000000
BFGS:    9 16:37:47      -75.045932         0.000000
Minimization converged after 9 steps.
Maximum force component: 2.3889755745070493e-30 eV/Angstrom
Maximum stress component: 9.315731309868539e-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([[3.3036941683139345, 4.12339364073699e-17, -2.124389725211023e-37], [-1.6518470841569672, 2.8610830760943706, -8.288745173025566e-37], [4.8197295056747356e-36, 9.4408339153594e-35, 3.382019668398565]])
forces =  [[ 2.38897557e-30 -1.50466439e-30  1.04216527e-32]
 [-1.30307759e-30  3.76166098e-31 -3.91507836e-68]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-9.31573131e-12 -9.31573131e-12  1.37186715e-13 -8.49224672e-33
  1.47090028e-33  2.79710060e-27]
energy per atom =  -25.015310544837387
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0