element(s):
['Be']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.512']
model name:
Sim_LAMMPS_ModifiedTersoff_ByggmastarHodilleFerro_2018_BeO__SM_305223021383_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Be']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.512, 0, 0], [0, 2.512, 0], [0, 0, 2.512]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:58:58       -6.775721         3.529913
BFGS:    1 15:58:58       -7.137183         1.085657
BFGS:    2 15:58:58       -7.164677         0.273194
BFGS:    3 15:58:58       -7.166468         0.005491
BFGS:    4 15:58:58       -7.166468         0.000018
BFGS:    5 15:58:58       -7.166468         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7410422679794616e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Be', 'Be']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.4268034402051994, 1.2701701458761397e-32, 1.4143231096019344e-32], [-3.417098109387503e-33, 2.4268034402051994, 3.7362066276223917e-20], [2.1495802503091248e-33, 3.736206627628855e-20, 2.4268034402051994]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.74104227e-10 -1.74104227e-10 -1.74104227e-10  3.58627012e-27
  1.39527559e-33  2.94867184e-49]
energy per atom =  -3.5832342390558534
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0