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 15:48:37       -6.775721         3.529913
BFGS:    1 15:48:37       -7.137183         1.085657
BFGS:    2 15:48:37       -7.164677         0.273194
BFGS:    3 15:48:37       -7.166468         0.005491
BFGS:    4 15:48:37       -7.166468         0.000018
BFGS:    5 15:48:37       -7.166468         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.741079165739398e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Be', 'Be']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.426803440205199, 1.6963387061242283e-33, 1.0266192334673278e-33], [-8.547245256843071e-34, 2.426803440205199, -1.3930839813002372e-18], [2.487369156510282e-33, -1.3930839813001921e-18, 2.426803440205199]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.74107917e-10 -1.74107917e-10 -1.74107917e-10  3.07904997e-26
  6.97637795e-34 -5.90865922e-50]
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