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:
MEAM_LAMMPS_HuangLiuDuan_2021_HfNbTaTiZr__MO_893505888031_001
==== 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 16:12:39      -14.405403         0.085205
BFGS:    1 16:12:39      -14.405660         0.055894
BFGS:    2 16:12:39      -14.405856         0.000359
BFGS:    3 16:12:39      -14.405856         0.000002
BFGS:    4 16:12:39      -14.405856         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8912145238530666e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Hf', 'Hf']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.545989064517, -1.4625268956746223e-34, 1.0686113698070036e-33], [-8.394133494279434e-37, 3.545989064517, -1.1105901015613039e-22], [-9.297417694684914e-33, -1.1105901014468813e-22, 3.545989064517]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.89121452e-12 -1.89121452e-12 -1.89121452e-12 -3.29499919e-30
  2.74448113e-60 -1.09344966e-62]
energy per atom =  -7.202927846738931
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0