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 16:21:50      -10.302045         1.079636
BFGS:    1 16:21:50      -10.315772         0.739459
BFGS:    2 16:21:50      -10.325086         0.047299
BFGS:    3 16:21:50      -10.325127         0.001890
BFGS:    4 16:21:50      -10.325127         0.000005
BFGS:    5 16:21:50      -10.325127         0.000000
Minimization converged after 5 steps.
Maximum force component: 5.567457606048262e-10 eV/Angstrom
Maximum stress component: 2.845560435077436e-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([[2.5257999999999843, 6.892938169782075e-31, 1.263187785103497e-43], [-1.2628999999999921, 2.187406964878721, -1.4658791802644956e-38], [2.484572682061723e-38, 4.3118454608120156e-38, 8.55844892160673]])
forces =  [[ 1.61626870e-48  2.80494947e-48  5.56745761e-10]
 [ 1.68360635e-48  2.68808851e-48  5.56745761e-10]
 [-1.68360635e-48 -2.68808851e-48 -5.56745761e-10]
 [-1.61626870e-48 -2.80494947e-48 -5.56745761e-10]]
stress =  [ 3.02827616e-43  3.02827616e-43  2.84556044e-11  1.55696125e-45
 -2.77971376e-45  5.29662332e-59]
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