element(s):
['N']
AFLOW prototype label:
A_cI8_199_a
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8018', '0.66473467']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['N']
representative atom coordinates =  [[0.16473467 0.16473467 0.16473467]]
spacegroup =  199
cell =  [[3.8018, 0, 0], [0, 3.8018, 0], [0, 0, 3.8018]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:24:06       -8.318282         0.959439
BFGS:    1 16:24:06       -8.459943         0.953455
BFGS:    2 16:24:06       -8.935637         0.981820
BFGS:    3 16:24:06       -9.342179         1.005592
BFGS:    4 16:24:06       -9.680654         1.025620
BFGS:    5 16:24:06       -9.956707         1.042748
BFGS:    6 16:24:06      -10.179214         1.057736
BFGS:    7 16:24:06      -10.358790         1.071219
BFGS:    8 16:24:06      -10.506376         1.083704
BFGS:    9 16:24:06      -10.632042         1.095581
BFGS:   10 16:24:06      -10.744136         1.107136
BFGS:   11 16:24:06      -10.848913         1.118565
BFGS:   12 16:24:06      -10.950630         1.129995
BFGS:   13 16:24:06      -11.051949         1.141501
BFGS:   14 16:24:06      -11.154410         1.153124
BFGS:   15 16:24:06      -11.258836         1.164885
BFGS:   16 16:24:06      -11.365610         1.176792
BFGS:   17 16:24:06      -11.474861         1.188844
BFGS:   18 16:24:06      -11.579250         0.839487
BFGS:   19 16:24:06      -11.593488         0.425159
BFGS:   20 16:24:06      -11.655121         0.520705
BFGS:   21 16:24:06      -11.761028         0.812109
BFGS:   22 16:24:06      -11.856444         1.131739
BFGS:   23 16:24:06      -11.965881         0.826146
BFGS:   24 16:24:06      -12.026059         0.067878
BFGS:   25 16:24:06      -12.031812         0.059460
BFGS:   26 16:24:06      -12.032114         0.001063
BFGS:   27 16:24:06      -12.032115         0.000269
BFGS:   28 16:24:06      -12.032115         0.000004
BFGS:   29 16:24:06      -12.032115         0.000000
BFGS:   30 16:24:06      -12.032115         0.000000
Minimization converged after 30 steps.
Maximum force component: 5.582345157022628e-12 eV/Angstrom
Maximum stress component: 7.188088766510762e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N']
basis =  [[0.125 0.125 0.125]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.625 0.625 0.625]
 [0.875 0.375 0.125]
 [0.375 0.125 0.875]
 [0.125 0.875 0.375]]
cellpar =  Cell([3.4090230456327513, 3.4090230456327513, 3.4090230456327513])
forces =  [[-5.58234516e-12 -5.58234516e-12 -5.58234516e-12]
 [ 5.58234516e-12  5.58234516e-12 -5.58234516e-12]
 [ 5.58234516e-12 -5.58234516e-12  5.58234516e-12]
 [-5.58234516e-12  5.58234516e-12  5.58234516e-12]
 [-5.58234516e-12 -5.58234516e-12 -5.58234516e-12]
 [ 5.58234516e-12  5.58234516e-12 -5.58234516e-12]
 [ 5.58234516e-12 -5.58234516e-12  5.58234516e-12]
 [-5.58234516e-12  5.58234516e-12  5.58234516e-12]]
stress =  [-7.18808877e-14 -7.18808877e-14 -7.18808877e-14  0.00000000e+00
  0.00000000e+00  0.00000000e+00]
energy per atom =  -1.5040144225850531
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_cI8_199_a, while relaxed is A_cI8_214_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.