element(s):
['B', 'N']
AFLOW prototype label:
AB_hP4_194_c_b
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5117', '3.1870048']
model name:
Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'N']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.         0.         0.25      ]]
spacegroup =  194
cell =  [[2.5117, 0, 0], [-1.25585, 2.1751960066854, 0], [0, 0, 8.0048]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:02:30      -26.757917         0.169203
BFGS:    1 12:02:30      -26.758655         0.136187
BFGS:    2 12:02:30      -26.760000         0.001746
BFGS:    3 12:02:30      -26.760000         0.000018
BFGS:    4 12:02:30      -26.760000         0.000000
Minimization converged after 4 steps.
Maximum force component: 1.4814807017957105e-30 eV/Angstrom
Maximum stress component: 2.0709817579534016e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'N', 'N']
basis =  [[3.33333330e-01 6.66666670e-01 2.50000000e-01]
 [6.66666663e-01 3.33333337e-01 7.50000000e-01]
 [9.99999997e-01 3.33333336e-09 2.50000000e-01]
 [9.99999997e-01 3.33333336e-09 7.50000000e-01]]
cellpar =  Cell([[2.5039998678104944, 1.0267492188680848e-18, 8.347365042650906e-53], [-1.2519999339052472, 2.1685274965967642, -7.832131696440816e-42], [4.775456780323148e-44, 9.156271108510804e-37, 8.0048]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.31687173e-30  1.14044438e-30 -4.11897500e-72]
 [ 1.48148070e-30 -1.42555547e-30  5.14871875e-72]]
stress =  [ 2.07098176e-10  2.07098176e-10  5.41928599e-84 -2.36888747e-47
 -1.23549419e-54 -2.30742126e-26]
energy per atom =  -6.690000045932206
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0