element(s):
['N']
AFLOW prototype label:
A_cI20_217_ce
Parameter names:
['a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.878', '0.63332537', '0.28144238']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['N', 'N']
representative atom coordinates =  [[0.13332537 0.13332537 0.13332537]
 [0.28144238 0.         0.        ]]
spacegroup =  217
cell =  [[5.878, 0, 0], [0, 5.878, 0], [0, 0, 5.878]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:59:01      -18.030524         1.841121
BFGS:    1 15:59:01      -18.843392         1.905154
BFGS:    2 15:59:01      -20.475270         2.030140
BFGS:    3 15:59:01      -22.048758         2.114824
BFGS:    4 15:59:01      -23.108099         1.264067
BFGS:    5 15:59:01      -23.205006         1.283072
BFGS:    6 15:59:01      -23.306795         0.357174
BFGS:    7 15:59:01      -23.317835         0.158240
BFGS:    8 15:59:01      -23.320421         0.059046
BFGS:    9 15:59:01      -23.320612         0.002014
BFGS:   10 15:59:01      -23.320613         0.000161
BFGS:   11 15:59:01      -23.320613         0.000026
BFGS:   12 15:59:01      -23.320613         0.000001
BFGS:   13 15:59:01      -23.320613         0.000000
Minimization converged after 13 steps.
Maximum force component: 6.795787824601135e-09 eV/Angstrom
Maximum stress component: 2.77364956750113e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N']
basis =  [[1.25240709e-01 1.25240709e-01 1.25240709e-01]
 [8.74759291e-01 8.74759291e-01 1.25240709e-01]
 [8.74759291e-01 1.25240709e-01 8.74759291e-01]
 [1.25240709e-01 8.74759291e-01 8.74759291e-01]
 [6.25240709e-01 6.25240709e-01 6.25240709e-01]
 [3.74759291e-01 3.74759291e-01 6.25240709e-01]
 [3.74759291e-01 6.25240709e-01 3.74759291e-01]
 [6.25240709e-01 3.74759291e-01 3.74759291e-01]
 [2.49243070e-01 0.00000000e+00 0.00000000e+00]
 [7.50756930e-01 5.13712820e-34 0.00000000e+00]
 [0.00000000e+00 2.49243070e-01 0.00000000e+00]
 [0.00000000e+00 7.50756930e-01 5.20074008e-34]
 [0.00000000e+00 0.00000000e+00 2.49243070e-01]
 [5.13273969e-34 4.11125698e-36 7.50756930e-01]
 [7.49243070e-01 5.00000000e-01 5.00000000e-01]
 [2.50756930e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.49243070e-01 5.00000000e-01]
 [5.00000000e-01 2.50756930e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.49243070e-01]
 [5.00000000e-01 5.00000000e-01 2.50756930e-01]]
cellpar =  Cell([[5.8556603053689775, -3.789927585045504e-33, 2.7005301958111712e-34], [1.3819711790925335e-33, 5.8556603053689775, -1.251064909536957e-19], [-3.080332290171582e-34, -1.2510649095368949e-19, 5.8556603053689775]])
forces =  [[ 2.73003047e-09  2.73003047e-09  2.73003047e-09]
 [-2.73003047e-09 -2.73003047e-09  2.73003047e-09]
 [-2.73003047e-09  2.73003047e-09 -2.73003047e-09]
 [ 2.73003047e-09 -2.73003047e-09 -2.73003047e-09]
 [ 2.73003047e-09  2.73003047e-09  2.73003047e-09]
 [-2.73003047e-09 -2.73003047e-09  2.73003047e-09]
 [-2.73003047e-09  2.73003047e-09 -2.73003047e-09]
 [ 2.73003047e-09 -2.73003047e-09 -2.73003047e-09]
 [ 6.79578782e-09  7.21765858e-32 -1.20294310e-32]
 [-6.79578782e-09  1.80441464e-32 -3.13410090e-43]
 [ 1.60384695e-42  6.79578782e-09 -1.45120188e-28]
 [ 2.40588619e-32 -6.79578782e-09  1.45216424e-28]
 [ 7.51839435e-32 -1.45192365e-28  6.79578782e-09]
 [ 2.40588619e-32  1.45228453e-28 -6.79578782e-09]
 [ 6.79578782e-09 -4.39840127e-42  3.13410090e-43]
 [-6.79578782e-09  4.81177238e-32 -4.81177238e-32]
 [ 1.60384695e-42  6.79578782e-09 -1.45096129e-28]
 [-4.81177238e-32 -6.79578782e-09  1.45240483e-28]
 [ 9.62354477e-32 -1.45192365e-28  6.79578782e-09]
 [ 4.81177238e-32  1.45240483e-28 -6.79578782e-09]]
stress =  [-2.77364957e-10 -2.77364957e-10 -2.77364957e-10  7.41564103e-28
  6.92209762e-61  6.76633773e-60]
energy per atom =  -1.1660306264006581
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0