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 16:45:44      -18.030524         1.841121
BFGS:    1 16:45:44      -18.843392         1.905154
BFGS:    2 16:45:45      -20.475270         2.030140
BFGS:    3 16:45:45      -22.048758         2.114824
BFGS:    4 16:45:46      -23.108099         1.264067
BFGS:    5 16:45:46      -23.205006         1.283072
BFGS:    6 16:45:46      -23.306795         0.357174
BFGS:    7 16:45:47      -23.317835         0.158240
BFGS:    8 16:45:47      -23.320421         0.059046
BFGS:    9 16:45:48      -23.320612         0.002014
BFGS:   10 16:45:49      -23.320613         0.000161
BFGS:   11 16:45:50      -23.320613         0.000026
BFGS:   12 16:45:50      -23.320613         0.000001
BFGS:   13 16:45:51      -23.320613         0.000000
Minimization converged after 13 steps.
Maximum force component: 6.795775635873712e-09 eV/Angstrom
Maximum stress component: 2.773638973058577e-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 5.13646165e-34 0.00000000e+00]
 [0.00000000e+00 2.49243070e-01 0.00000000e+00]
 [0.00000000e+00 7.50756930e-01 4.85128324e-34]
 [0.00000000e+00 0.00000000e+00 2.49243070e-01]
 [5.13771548e-34 0.00000000e+00 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([[5.855660305368979, 3.970107366010506e-33, -1.2758034116467902e-33], [-3.508228035014803e-33, 5.855660305368979, 3.3688779810031903e-19], [-8.371442452565428e-34, 3.368877981003173e-19, 5.855660305368979]])
forces =  [[ 2.73000722e-09  2.73000722e-09  2.73000722e-09]
 [-2.73000722e-09 -2.73000722e-09  2.73000722e-09]
 [-2.73000722e-09  2.73000722e-09 -2.73000722e-09]
 [ 2.73000722e-09 -2.73000722e-09 -2.73000722e-09]
 [ 2.73000722e-09  2.73000722e-09  2.73000722e-09]
 [-2.73000722e-09 -2.73000722e-09  2.73000722e-09]
 [-2.73000722e-09  2.73000722e-09 -2.73000722e-09]
 [ 2.73000722e-09 -2.73000722e-09 -2.73000722e-09]
 [ 6.79577564e-09  4.81177239e-32 -1.48063126e-42]
 [-6.79577564e-09 -4.60750069e-42  1.20294310e-32]
 [-4.07146750e-42  6.79577564e-09  3.90998564e-28]
 [ 4.07146750e-42 -6.79577564e-09 -3.90974505e-28]
 [ 4.81177238e-32  3.90974505e-28  6.79577564e-09]
 [ 9.71546191e-43 -3.90950446e-28 -6.79577564e-09]
 [ 6.79577564e-09  4.81177239e-32 -1.48063126e-42]
 [-6.79577564e-09 -4.60750069e-42  2.40588619e-32]
 [-4.07146750e-42  6.79577564e-09  3.91004579e-28]
 [ 4.07146750e-42 -6.79577564e-09 -3.90974505e-28]
 [ 4.81177238e-32  3.90974505e-28  6.79577564e-09]
 [ 3.00735774e-33 -3.90945935e-28 -6.79577564e-09]]
stress =  [-2.77363897e-10 -2.77363897e-10 -2.77363897e-10 -1.78294132e-25
 -7.18950029e-34 -7.66943738e-50]
energy per atom =  -1.166030626400659
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0