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 20:05:04      -53.786472         0.755023
BFGS:    1 20:05:04      -53.810089         0.704575
BFGS:    2 20:05:04      -53.897783         0.462379
BFGS:    3 20:05:04      -53.948095         0.206032
BFGS:    4 20:05:05      -53.959969         0.010665
BFGS:    5 20:05:05      -53.960000         0.000228
BFGS:    6 20:05:05      -53.960000         0.000000
BFGS:    7 20:05:05      -53.960000         0.000000
Minimization converged after 7 steps.
Maximum force component: 1.8708983515402082e-30 eV/Angstrom
Maximum stress component: 9.678950751947963e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'B', 'B', 'N', 'N', 'N', 'N']
basis =  [[1.27718907e-34 5.96043455e-52 1.28395330e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.33101268e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [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([[3.557468127443925, -2.9143463212035244e-34, 1.1748508488139416e-33], [-3.0362976434041526e-33, 3.557468127443925, -1.652233088175583e-17], [-2.6210253240232883e-34, -1.6522330881755823e-17, 3.557468127443925]])
forces =  [[-4.09259014e-31 -4.67724588e-31 -2.33862294e-31]
 [-4.67724588e-31 -4.67724588e-31  2.17230348e-48]
 [-4.09259014e-31 -4.67724588e-31 -1.75396720e-31]
 [-4.67724588e-31 -4.09259014e-31  1.90076555e-48]
 [-1.28624262e-30  4.67724588e-31  1.87089835e-30]
 [-9.35449176e-31  2.71537935e-48 -5.84655735e-31]
 [-1.63703606e-30  1.63703606e-30  9.35449176e-31]
 [-4.67724588e-31 -2.17230348e-48  4.67724588e-31]]
stress =  [-9.67895075e-13 -9.67895075e-13 -9.67895075e-13  1.22186259e-28
 -5.68609063e-63  1.22518162e-61]
energy per atom =  -6.744999959123638
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0