element(s):
['Hf']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4761']
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 =  225
cell =  [[4.4761, 0, 0], [0, 4.4761, 0], [0, 0, 4.4761]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:16:40      -29.148134         0.185570
BFGS:    1 15:16:40      -29.149482         0.153349
BFGS:    2 15:16:40      -29.152411         0.002007
BFGS:    3 15:16:40      -29.152412         0.000025
BFGS:    4 15:16:40      -29.152412         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9524253667622447e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Hf', 'Hf', 'Hf', 'Hf']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.493374793837821, -3.2013808605521656e-33, 2.1767559543257478e-33], [-4.814495686623673e-33, 4.493374793837821, 4.162761797434432e-20], [-3.916106138026907e-34, 4.1627617974344585e-20, 4.493374793837821]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.95242537e-10 -1.95242537e-10 -1.95242537e-10  5.06200225e-27
  2.22572745e-35 -1.62135512e-52]
energy per atom =  -7.2881029120149625
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0