element(s):
['Hf']
AFLOW prototype label:
A_hP3_191_ad
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:
['4.9846', '0.62125346']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Hf', 'Hf']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]]
spacegroup =  191
cell =  [[4.9846, 0, 0], [-2.4923, 4.3167902277039, 0], [0, 0, 3.0967]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:19:48      -29.155524       167.996527
BFGS:    1 14:19:48      -45.654339       120.979623
BFGS:    2 14:19:48      -52.369967       105.469252
BFGS:    3 14:19:48      -59.684271        75.244987
BFGS:    4 14:19:48      -66.983567        53.429817
BFGS:    5 14:19:48      -72.158656        32.927816
BFGS:    6 14:19:48      -75.154891        17.487957
BFGS:    7 14:19:48      -76.494628         5.827173
BFGS:    8 14:19:48      -76.688083         1.290121
BFGS:    9 14:19:48      -76.697664         0.233814
BFGS:   10 14:19:48      -76.697921         0.153485
BFGS:   11 14:19:48      -76.697989         0.041543
BFGS:   12 14:19:48      -76.697995         0.004681
BFGS:   13 14:19:48      -76.697995         0.000411
BFGS:   14 14:19:48      -76.697995         0.000023
BFGS:   15 14:19:48      -76.697995         0.000001
BFGS:   16 14:19:48      -76.697995         0.000000
Minimization converged after 16 steps.
Maximum force component: 1.276635905715056e-30 eV/Angstrom
Maximum stress component: 1.3978897566955664e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Hf', 'Hf', 'Hf']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]
 [0.66666667 0.33333333 0.5       ]]
cellpar =  Cell([[5.548554075951771, -1.2538451253024666e-16, 3.154933688495159e-36], [-2.7742770379758857, 4.805188784045923, -3.7919904601566066e-35], [1.0465828742767753e-34, 9.875992876280937e-34, 3.310643046935821]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.27663591e-30 -9.47656393e-31 -2.04034131e-32]
 [-1.09425935e-30  3.15885464e-31  1.36022754e-32]]
stress =  [-1.39788976e-10 -1.39788976e-10 -1.21973605e-10 -1.03308578e-32
 -3.57871412e-33 -1.56317880e-26]
energy per atom =  -25.565998241776068
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0