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_NordAlbeErhart_2003_GaN__MO_612061685362_004
==== 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 18:20:15      -10.389439       12.8544
BFGS:    1 18:20:15      -13.869760        6.1892
BFGS:    2 18:20:15      -16.130385        5.1485
BFGS:    3 18:20:15      -18.092926        4.8030
BFGS:    4 18:20:15      -19.828508        2.4840
BFGS:    5 18:20:15      -18.993669        6.1484
BFGS:    6 18:20:15      -20.124022        3.5663
BFGS:    7 18:20:15      -20.347203        2.0074
BFGS:    8 18:20:15      -20.686713        1.9134
BFGS:    9 18:20:15      -20.995937        1.6339
BFGS:   10 18:20:15      -21.238626        1.2043
BFGS:   11 18:20:15      -21.408685        0.7664
BFGS:   12 18:20:15      -21.509116        0.3543
BFGS:   13 18:20:15      -21.544827        0.0425
BFGS:   14 18:20:15      -21.545097        0.0168
BFGS:   15 18:20:15      -21.545104        0.0059
BFGS:   16 18:20:15      -21.545105        0.0003
BFGS:   17 18:20:15      -21.545105        0.0000
BFGS:   18 18:20:15      -21.545105        0.0000
BFGS:   19 18:20:15      -21.545105        0.0000
BFGS:   20 18:20:15      -21.545105        0.0000
Minimization converged after 20 steps.
Maximum force component: 1.2695114203582427e-10 eV/Angstrom
Maximum stress component: 1.543434589662358e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N']
basis =  [[0.20436319 0.20436319 0.20436319]
 [0.29563681 0.79563681 0.70436319]
 [0.79563681 0.70436319 0.29563681]
 [0.70436319 0.29563681 0.79563681]
 [0.70436319 0.70436319 0.70436319]
 [0.79563681 0.29563681 0.20436319]
 [0.29563681 0.20436319 0.79563681]
 [0.20436319 0.79563681 0.29563681]]
cellpar =  Cell([3.9915286687117812, 3.9915286687117812, 3.9915286687117812])
forces =  [[ 1.26951142e-10  1.26951142e-10  1.26951142e-10]
 [-1.26951142e-10 -1.26951142e-10  1.26951142e-10]
 [-1.26951142e-10  1.26951142e-10 -1.26951142e-10]
 [ 1.26951142e-10 -1.26951142e-10 -1.26951142e-10]
 [ 1.26951142e-10  1.26951142e-10  1.26951142e-10]
 [-1.26951142e-10 -1.26951142e-10  1.26951142e-10]
 [-1.26951142e-10  1.26951142e-10 -1.26951142e-10]
 [ 1.26951142e-10 -1.26951142e-10 -1.26951142e-10]]
stress =  [1.54343459e-11 1.54343459e-11 1.54343459e-11 0.00000000e+00
 0.00000000e+00 0.00000000e+00]
energy per atom =  -2.693138141774912
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0