element(s):
['O']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5258', '3.3934595', '0.67829089']
model name:
Sim_LAMMPS_ModifiedTersoff_ByggmastarHodilleFerro_2018_BeO__SM_305223021383_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O']
representative atom coordinates =  [[0.33333333 0.66666667 0.67829089]]
spacegroup =  194
cell =  [[2.5258, 0, 0], [-1.2629, 2.1874069648787, 0], [0, 0, 8.5712]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:36:19      -10.302045         1.079636
BFGS:    1 14:36:19      -10.315772         0.739459
BFGS:    2 14:36:19      -10.325086         0.047299
BFGS:    3 14:36:19      -10.325127         0.001890
BFGS:    4 14:36:19      -10.325127         0.000005
BFGS:    5 14:36:19      -10.325127         0.000000
Minimization converged after 5 steps.
Maximum force component: 5.567457606048262e-10 eV/Angstrom
Maximum stress component: 2.8455604350774385e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O']
basis =  [[0.33333333 0.66666667 0.6794041 ]
 [0.66666666 0.33333334 0.1794041 ]
 [0.66666666 0.33333334 0.3205959 ]
 [0.33333333 0.66666667 0.8205959 ]]
cellpar =  Cell([[2.525799999999983, 5.9027370248981164e-31, -8.828913655929946e-40], [-1.2628999999999915, 2.18740696487872, -6.315457223721138e-39], [3.973449354656168e-37, -2.286867285716636e-37, 8.55844892160673]])
forces =  [[ 2.58481543e-47 -1.48765703e-47  5.56745761e-10]
 [ 1.51040234e-43  5.23114300e-43  5.56745761e-10]
 [-1.51040234e-43 -5.23114300e-43 -5.56745761e-10]
 [-2.58481543e-47  1.48765703e-47 -5.56745761e-10]]
stress =  [ 2.18239477e-42  2.18239477e-42  2.84556044e-11 -7.72910461e-44
 -2.22465082e-46  5.97127411e-58]
energy per atom =  -2.5812817079462858
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0