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_002
==== 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 15:58:52      -14.405403         0.085205
BFGS:    1 15:58:52      -14.405660         0.055894
BFGS:    2 15:58:52      -14.405856         0.000359
BFGS:    3 15:58:52      -14.405856         0.000002
BFGS:    4 15:58:52      -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, -4.6361183638137286e-33, -6.251306512676106e-34], [-8.406435335295356e-37, 3.545989064517, -2.3260503403019907e-25], [-5.683997174489909e-33, -2.32605033884982e-25, 3.545989064517]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.89121452e-12 -1.89121452e-12 -1.89121452e-12 -6.21144501e-28
  1.62287902e-60  3.43417237e-61]
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