element(s):
['B', 'N']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.625']
model name:
Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'N']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[3.625, 0, 0], [0, 3.625, 0], [0, 0, 3.625]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 12:44:22      -53.786472        0.7550
BFGS:    1 12:44:22      -53.810089        0.7046
BFGS:    2 12:44:22      -53.897783        0.4624
BFGS:    3 12:44:22      -53.948095        0.2060
BFGS:    4 12:44:22      -53.959969        0.0107
BFGS:    5 12:44:22      -53.960000        0.0002
BFGS:    6 12:44:22      -53.960000        0.0000
BFGS:    7 12:44:22      -53.960000        0.0000
Minimization converged after 7 steps.
Maximum force component: 1.1693114697126293e-30 eV/Angstrom
Maximum stress component: 9.665272858665889e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'B', 'B', 'N', 'N', 'N', 'N']
basis =  [[6.41522736e-34 6.41976648e-34 6.41976648e-34]
 [6.41602357e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.29930380e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.33101268e-34]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[3.557468127443922, 1.2993265858816556e-33, -8.229140746477852e-34], [-4.7667418741160294e-34, 3.557468127443922, -1.6416851293890292e-17], [-7.76468979768726e-34, -1.6416851293890295e-17, 3.557468127443922]])
forces =  [[-4.92700815e-66 -5.84655735e-32  5.84655735e-32]
 [ 2.33862294e-31  5.84655735e-32  2.63095081e-31]
 [ 2.35018519e-65 -1.75396720e-31  8.09413261e-49]
 [ 5.84655735e-32 -1.07921768e-48  2.33862294e-31]
 [-1.60780327e-31  5.26190161e-31  1.16931147e-31]
 [-5.84655735e-32 -1.16931147e-31 -1.16931147e-30]
 [-5.83111914e-65  2.92327867e-31  8.76983602e-32]
 [ 9.50065569e-32 -4.38491801e-31 -5.84655735e-31]]
stress =  [-9.66527286e-13 -9.66527286e-13 -9.66527286e-13  1.83870280e-28
  2.59721054e-33 -1.51169735e-49]
energy per atom =  -6.744999959123664
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0