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_002
==== 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 15:14:01      -21.332447        0.4804
BFGS:    1 15:14:01      -21.338434        0.3900
BFGS:    2 15:14:01      -21.351038        0.1757
BFGS:    3 15:14:01      -21.351518        0.1602
BFGS:    4 15:14:01      -21.352800        0.0545
BFGS:    5 15:14:01      -21.352986        0.0174
BFGS:    6 15:14:02      -21.353011        0.0015
BFGS:    7 15:14:02      -21.353011        0.0001
BFGS:    8 15:14:02      -21.353011        0.0000
BFGS:    9 15:14:02      -21.353011        0.0000
BFGS:   10 15:14:02      -21.353011        0.0000
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