element(s):
['Nb']
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:
['4.2522']
model name:
MEAM_LAMMPS_HuangLiuDuan_2021_HfNbTaTiZr__MO_893505888031_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Nb']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2522, 0, 0], [0, 4.2522, 0], [0, 0, 4.2522]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:02:12      -29.176645         1.050907
BFGS:    1 19:02:12      -29.219862         0.867004
BFGS:    2 19:02:12      -29.301064         0.201857
BFGS:    3 19:02:12      -29.305307         0.016828
BFGS:    4 19:02:12      -29.305336         0.000289
BFGS:    5 19:02:12      -29.305336         0.000000
BFGS:    6 19:02:12      -29.305336         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.237357152228901e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb', 'Nb', 'Nb']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.168177577750017, 1.9733646122539912e-33, 1.4985326980022597e-32], [1.972599841039991e-33, 4.168177577750017, 2.274005580763022e-19], [4.0596525547429223e-33, 2.27400558076316e-19, 4.168177577750017]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.23735715e-13 -5.23735715e-13 -5.23735715e-13 -8.79904946e-29
  1.03462945e-34  1.52284455e-50]
energy per atom =  -7.326333880791099
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0