element(s):
['Be', 'O']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6481']
model name:
Sim_LAMMPS_ModifiedTersoff_ByggmastarHodilleFerro_2018_BeO__SM_305223021383_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Be', 'O']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[3.6481, 0, 0], [0, 3.6481, 0], [0, 0, 3.6481]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:20:39      -31.902211        1.5865
BFGS:    1 14:20:39      -32.004003        1.4098
BFGS:    2 14:20:39      -32.188729        1.0633
BFGS:    3 14:20:39      -32.326078        0.7783
BFGS:    4 14:20:39      -32.425255        0.5540
BFGS:    5 14:20:39      -32.495161        0.3872
BFGS:    6 14:20:39      -32.543974        0.2716
BFGS:    7 14:20:39      -32.578805        0.1993
BFGS:    8 14:20:39      -32.597857        0.0475
BFGS:    9 14:20:39      -32.598940        0.0012
BFGS:   10 14:20:39      -32.598940        0.0000
BFGS:   11 14:20:39      -32.598940        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.190555896950819e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Be', 'Be', 'Be', 'Be', 'O', 'O', 'O', 'O']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.01404554e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.17033178e-66 3.57766357e-49]
 [0.00000000e+00 5.00000000e-01 2.01404554e-34]
 [0.00000000e+00 4.02809108e-34 5.00000000e-01]]
cellpar =  Cell([[3.8249978085444343, 7.089119969857417e-33, -1.901392892066885e-32], [3.5327274891927143e-32, 3.8249978085444343, -1.2512401994789192e-17], [-1.2752304164594278e-33, -1.2512401994789212e-17, 3.8249978085444343]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.19055590e-10 -3.19055590e-10 -3.19055590e-10 -5.29868668e-26
 -1.50105940e-58  2.53806253e-58]
energy per atom =  -4.074867537174467
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0