element(s):
['Hf']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5397']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Hf']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.5397, 0, 0], [0, 3.5397, 0], [0, 0, 3.5397]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:00:18      -29.740749       119.473655
BFGS:    1 17:00:18      -43.343366        65.705083
BFGS:    2 17:00:18      -50.384047        30.703677
BFGS:    3 17:00:18      -53.009715        10.544978
BFGS:    4 17:00:18      -53.462764         2.858054
BFGS:    5 17:00:18      -53.503703         0.375096
BFGS:    6 17:00:18      -53.504460         0.017354
BFGS:    7 17:00:19      -53.504462         0.000113
BFGS:    8 17:00:19      -53.504462         0.000000
BFGS:    9 17:00:19      -53.504462         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.29156068485962e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Hf', 'Hf']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.85240806484304, 3.2932381026839814e-33, -6.268980112255035e-34], [3.423859256910564e-33, 3.85240806484304, -9.549418251761255e-18], [-2.836319929077559e-33, -9.549418251761255e-18, 3.85240806484304]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.29156068e-15 -6.29156068e-15 -6.29156068e-15  4.33397443e-31
  0.00000000e+00 -1.01246491e-63]
energy per atom =  -26.752230841390823
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0