element(s):
['Hf']
AFLOW prototype label:
A_hP3_191_ad
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:
['4.9846', '0.62125346']
model name:
MEAM_LAMMPS_HuangLiuDuan_2021_HfNbTaTiZr__MO_893505888031_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Hf', 'Hf']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]]
spacegroup =  191
cell =  [[4.9846, 0, 0], [-2.4923, 4.3167902277039, 0], [0, 0, 3.0967]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:55:26      -21.332447         0.480439
BFGS:    1 10:55:27      -21.338434         0.390001
BFGS:    2 10:55:27      -21.351038         0.175699
BFGS:    3 10:55:28      -21.351518         0.160226
BFGS:    4 10:55:28      -21.352800         0.054544
BFGS:    5 10:55:28      -21.352986         0.017406
BFGS:    6 10:55:29      -21.353011         0.001498
BFGS:    7 10:55:29      -21.353011         0.000139
BFGS:    8 10:55:29      -21.353011         0.000004
BFGS:    9 10:55:30      -21.353011         0.000000
BFGS:   10 10:55:30      -21.353011         0.000000
Minimization converged after 10 steps.
Maximum force component: 8.567392343228442e-32 eV/Angstrom
Maximum stress component: 1.1576706426556456e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Hf', 'Hf', 'Hf']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]
 [0.66666667 0.33333333 0.5       ]]
cellpar =  Cell([[5.055050494270497, -2.166842254136181e-17, -2.5543926162525615e-36], [-2.5275252471352485, 4.377802145451333, -3.726152812117883e-36], [-6.822563752161728e-37, 8.00450714669691e-36, 3.0691519583133124]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 8.56739234e-32 -7.64441515e-32  4.40749909e-68]
 [-6.23083080e-32  3.59737184e-32 -9.62870634e-69]]
stress =  [-1.15767064e-11 -1.15767064e-11  3.96028001e-12  3.55796163e-47
 -2.74062566e-49  4.94804850e-27]
energy per atom =  -7.1176703334088955
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0