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 10:55:24      -38.343133       118.913619
BFGS:    1 10:55:24      -47.910012        69.311392
BFGS:    2 10:55:25      -53.437501        34.655108
BFGS:    3 10:55:25      -54.975956        16.320789
BFGS:    4 10:55:26      -55.691033        11.180287
BFGS:    5 10:55:26      -55.970021         0.939648
BFGS:    6 10:55:26      -55.972236         0.116273
BFGS:    7 10:55:27      -55.972274         0.007133
BFGS:    8 10:55:27      -55.972274         0.000719
BFGS:    9 10:55:27      -55.972274         0.000026
BFGS:   10 10:55:27      -55.972274         0.000001
BFGS:   11 10:55:28      -55.972274         0.000000
Minimization converged after 11 steps.
Maximum force component: 3.069002184321142e-32 eV/Angstrom
Maximum stress component: 1.5583353294398042e-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([[3.4039759732977206, -4.32168567129298e-17, -1.0333845723654346e-36], [-1.7019879866488603, 2.9479296667476853, -2.7588839149375465e-36], [-8.332784606402249e-35, -3.8928318706093626e-34, 5.558780372262973]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 4.60052969e-67  2.14923215e-66 -3.06900218e-32]]
stress =  [ 1.55833533e-10  1.55833533e-10  8.28577722e-11 -3.76091771e-34
 -2.17136685e-34 -7.35583153e-26]
energy per atom =  -27.986136966384645
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0