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 15:13:43      -29.155524      167.9965
BFGS:    1 15:13:43      -45.654339      120.9796
BFGS:    2 15:13:44      -52.369967      105.4693
BFGS:    3 15:13:44      -59.684271       75.2450
BFGS:    4 15:13:44      -66.983567       53.4298
BFGS:    5 15:13:44      -72.158656       32.9278
BFGS:    6 15:13:44      -75.154891       17.4880
BFGS:    7 15:13:44      -76.494628        5.8272
BFGS:    8 15:13:44      -76.688083        1.2901
BFGS:    9 15:13:44      -76.697664        0.2338
BFGS:   10 15:13:44      -76.697921        0.1535
BFGS:   11 15:13:44      -76.697989        0.0415
BFGS:   12 15:13:44      -76.697995        0.0047
BFGS:   13 15:13:44      -76.697995        0.0004
BFGS:   14 15:13:44      -76.697995        0.0000
BFGS:   15 15:13:44      -76.697995        0.0000
BFGS:   16 15:13:44      -76.697995        0.0000
Minimization converged after 16 steps.
Maximum force component: 1.974284153093917e-31 eV/Angstrom
Maximum stress component: 1.3979020327106144e-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([[5.548554075951769, -7.524422636199104e-17, -2.0874895509574516e-35], [-2.7742770379758843, 4.8051887840459235, -3.1556736492530484e-35], [1.608140082109985e-34, 1.4657815310580238e-33, 3.310643046935821]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 6.83912092e-32  1.97428415e-31 -1.98269723e-66]]
stress =  [-1.39790203e-10 -1.39790203e-10 -1.21973673e-10  2.06617156e-33
 -5.47109117e-45 -4.37066618e-26]
energy per atom =  -25.565998241776075
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0