element(s):
['B', 'N']
AFLOW prototype label:
AB_hP4_194_c_d
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['2.5126', '3.2197723']
Parameter values for parameter set 1:
['2.5123', '3.097759']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'N']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.33333333 0.66666667 0.75      ]]
spacegroup =  194
cell =  [[2.5126, 0, 0], [-1.2563, 2.1759754295488, 0], [0, 0, 8.09]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:05:53      -30.019029         0.354646
BFGS:    1 13:05:53      -30.022243         0.279529
BFGS:    2 13:05:53      -30.027414         0.007147
BFGS:    3 13:05:53      -30.027417         0.000139
BFGS:    4 13:05:53      -30.027417         0.000000
BFGS:    5 13:05:53      -30.027417         0.000000
Minimization converged after 5 steps.
Maximum force component: 5.332734427830705e-32 eV/Angstrom
Maximum stress component: 6.131064052996751e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'N', 'N']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]
 [0.33333333 0.66666667 0.75      ]
 [0.66666666 0.33333334 0.25      ]]
cellpar =  Cell([[2.497864462176437, -2.6448917730903384e-18, -2.457089313674904e-46], [-1.2489322310882185, 2.1632140794551478, -4.087737815468055e-46], [-5.852218285090039e-40, -5.643777632404985e-40, 8.09]])
forces =  [[ 1.02628522e-32  3.55515629e-32 -9.74663089e-78]
 [-3.07885566e-32 -3.55515629e-32  1.17656952e-77]
 [ 4.10514088e-32 -3.55515629e-32 -7.81444729e-70]
 [-5.13142610e-32  5.33273443e-32  7.81444725e-70]]
stress =  [-6.13106405e-14 -6.13106405e-14  6.76277987e-56 -7.51278846e-33
  4.52615376e-49 -1.31717940e-29]
energy per atom =  -7.50685420600344
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'N']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.33333333 0.66666667 0.75      ]]
spacegroup =  194
cell =  [[2.5123, 0, 0], [-1.25615, 2.1757156219276, 0], [0, 0, 7.7825]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:05:55      -30.019364         0.347557
BFGS:    1 13:05:55      -30.022450         0.273894
BFGS:    2 13:05:55      -30.027414         0.006855
BFGS:    3 13:05:55      -30.027417         0.000130
BFGS:    4 13:05:55      -30.027417         0.000000
BFGS:    5 13:05:55      -30.027417         0.000000
Minimization converged after 5 steps.
Maximum force component: 8.620795840789578e-31 eV/Angstrom
Maximum stress component: 5.2983560935913995e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'N', 'N']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]
 [0.33333333 0.66666667 0.75      ]
 [0.66666666 0.33333334 0.25      ]]
cellpar =  Cell([[2.4978644621764414, -3.1004407308201804e-18, -2.514553246792963e-41], [-1.2489322310882207, 2.1632140794551518, -6.494971377280943e-41], [8.00367867829415e-37, 2.3086514807356062e-36, 7.782499999999999]])
forces =  [[ 8.00502471e-31 -5.33273443e-31  1.10522587e-71]
 [-8.62079584e-31  6.39928131e-31 -1.42545269e-71]
 [-2.05257044e-31  7.11031257e-32 -4.81818125e-73]
 [-2.05257044e-31  7.11031257e-32 -4.81818125e-73]]
stress =  [-5.29835609e-14 -5.29835609e-14  3.15830759e-52 -7.80963170e-33
 -6.76333944e-33 -8.10563347e-30]
energy per atom =  -7.5068542060034416
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0
Parameter sets [1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 1