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 16:12:21      -29.740749       119.473655
BFGS:    1 16:12:21      -43.343366        65.705083
BFGS:    2 16:12:21      -50.384047        30.703677
BFGS:    3 16:12:21      -53.009715        10.544978
BFGS:    4 16:12:21      -53.462764         2.858054
BFGS:    5 16:12:21      -53.503703         0.375096
BFGS:    6 16:12:21      -53.504460         0.017354
BFGS:    7 16:12:21      -53.504462         0.000113
BFGS:    8 16:12:21      -53.504462         0.000000
BFGS:    9 16:12:21      -53.504462         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0431562962674665e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Hf', 'Hf']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.852408064843039, 6.269324046818808e-34, -6.83821615370008e-33], [1.6907712253586565e-33, 3.852408064843039, -9.549208349003505e-18], [5.797402174925397e-33, -9.549208349003522e-18, 3.852408064843039]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.04315630e-14 -1.04315630e-14 -1.04315630e-14  4.26553344e-30
 -1.10737478e-33  2.88603644e-49]
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