element(s):
['B', 'N']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5546', '1.6540359', '0.00022218536', '0.37477781']
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 0.50022219]
 [0.33333333 0.66666667 0.87477781]]
spacegroup =  186
cell =  [[2.5546, 0, 0], [-1.2773, 2.2123484965077, 0], [0, 0, 4.2254]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:13:18      -26.878045        1.0706
BFGS:    1 13:13:18      -26.904969        0.8989
BFGS:    2 13:13:18      -26.963983        0.3964
BFGS:    3 13:13:18      -26.979466        0.0713
BFGS:    4 13:13:18      -26.979706        0.0398
BFGS:    5 13:13:18      -26.979791        0.0441
BFGS:    6 13:13:18      -26.979924        0.0343
BFGS:    7 13:13:18      -26.979986        0.0187
BFGS:    8 13:13:18      -26.979999        0.0047
BFGS:    9 13:13:18      -26.980000        0.0004
BFGS:   10 13:13:18      -26.980000        0.0000
BFGS:   11 13:13:18      -26.980000        0.0000
BFGS:   12 13:13:18      -26.980000        0.0000
BFGS:   13 13:13:18      -26.980000        0.0000
Minimization converged after 13 steps.
Maximum force component: 5.09446707042116e-10 eV/Angstrom
Maximum stress component: 3.5981408015395854e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'N', 'N']
basis =  [[3.33333330e-01 6.66666670e-01 5.00000000e-01]
 [6.66666663e-01 3.33333337e-01 1.68312429e-12]
 [3.33333330e-01 6.66666670e-01 8.75000000e-01]
 [6.66666663e-01 3.33333337e-01 3.75000000e-01]]
cellpar =  Cell([[2.515509836765489, 1.1344491069537152e-17, -7.088746593916347e-39], [-1.2577549183827446, 2.17849542210856, 4.731054607828509e-38], [-3.99045511961209e-37, 6.5774684347824545e-37, 4.107810362022519]])
forces =  [[-3.30731228e-30  1.14568658e-30 -5.09380982e-10]
 [ 1.98438737e-30 -1.14568658e-30 -5.09380982e-10]
 [-3.30731228e-30  1.14568658e-30  5.09446707e-10]
 [ 3.96877473e-30 -2.29137316e-30  5.09446707e-10]]
stress =  [-2.45258881e-12 -2.45258881e-12 -3.59814080e-11 -4.40761244e-32
  1.27236811e-31 -2.69908194e-28]
energy per atom =  -6.744999959123682
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0