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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 14:02:22      -38.343133       118.913619
BFGS:    1 14:02:22      -47.910012        69.311392
BFGS:    2 14:02:22      -53.437501        34.655108
BFGS:    3 14:02:22      -54.975956        16.320789
BFGS:    4 14:02:22      -55.691033        11.180287
BFGS:    5 14:02:22      -55.970021         0.939648
BFGS:    6 14:02:22      -55.972236         0.116273
BFGS:    7 14:02:22      -55.972274         0.007133
BFGS:    8 14:02:22      -55.972274         0.000719
BFGS:    9 14:02:22      -55.972274         0.000026
BFGS:   10 14:02:22      -55.972274         0.000001
BFGS:   11 14:02:22      -55.972274         0.000000
Minimization converged after 11 steps.
Maximum force component: 3.916009369484062e-31 eV/Angstrom
Maximum stress component: 1.5583153062380612e-10 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([[3.4039759732977197, -3.6861016518722945e-17, -4.374860147143494e-35], [-1.7019879866488599, 2.9479296667476853, -7.097226031798697e-35], [-6.966066765382547e-35, -1.6438037190320965e-33, 5.558780372262973]])
forces =  [[ 1.67828973e-31  9.68961027e-32 -5.20876518e-66]
 [ 3.91600937e-31 -9.68961027e-32 -1.98114344e-66]]
stress =  [ 1.55831531e-10  1.55831531e-10  8.28575699e-11  1.41034414e-34
 -1.89994600e-34 -4.60007914e-26]
energy per atom =  -27.98613696638464
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0