element(s):
['Hf']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1999', '1.5810182']
model name:
MEAM_LAMMPS_HuangLiuDuan_2021_HfNbTaTiZr__MO_893505888031_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Hf']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.1999, 0, 0], [-1.59995, 2.7711946895698, 0], [0, 0, 5.0591]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:58:30      -14.656808        0.2820
BFGS:    1 14:58:30      -14.657845        0.2210
BFGS:    2 14:58:30      -14.659539        0.0754
BFGS:    3 14:58:30      -14.659717        0.0670
BFGS:    4 14:58:30      -14.660021        0.0142
BFGS:    5 14:58:30      -14.660033        0.0041
BFGS:    6 14:58:30      -14.660034        0.0001
BFGS:    7 14:58:30      -14.660034        0.0000
BFGS:    8 14:58:30      -14.660034        0.0000
BFGS:    9 14:58:30      -14.660034        0.0000
Minimization converged after 9 steps.
Maximum force component: 3.6893131673371964e-33 eV/Angstrom
Maximum stress component: 1.2415321271800354e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Hf', 'Hf']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.1926681948193503, 2.7201340533402613e-18, -3.5109390615587134e-38], [-1.5963340974096751, 2.7649317625681626, -1.4160342084160927e-38], [2.438144448611895e-37, 5.312021640822751e-38, 5.120204642497978]])
forces =  [[ 4.09923685e-34 -7.10008650e-34  3.63624358e-72]
 [-3.68931317e-33  7.10008650e-34  3.24268107e-71]]
stress =  [-6.85628098e-12 -6.85628098e-12 -1.24153213e-11 -2.26734443e-36
  3.92715575e-36  2.54451619e-27]
energy per atom =  -7.330016967630741
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0