element(s):
['Ga', 'N']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5262']
model name:
Tersoff_LAMMPS_NordAlbeErhart_2003_GaN__MO_612061685362_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga', 'N']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[4.5262, 0, 0], [0, 4.5262, 0], [0, 0, 4.5262]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:10:31      -36.204199         0.265967
BFGS:    1 19:10:31      -36.207116         0.245977
BFGS:    2 19:10:31      -36.223942         0.008777
BFGS:    3 19:10:31      -36.223963         0.000275
BFGS:    4 19:10:31      -36.223963         0.000000
BFGS:    5 19:10:31      -36.223963         0.000000
Minimization converged after 5 steps.
Maximum force component: 1.182892314189123e-30 eV/Angstrom
Maximum stress component: 8.534503300016044e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga', 'N', 'N', 'N', 'N']
basis =  [[1.28390371e-34 2.56792649e-34 1.28397319e-34]
 [2.55922918e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.28438643e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.56772763e-34]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.498482456261604, -1.9239662482003962e-38, 3.813661361153854e-33], [-4.343120980825469e-49, 4.498482456261604, 1.2399995634247132e-21], [4.655549374139309e-33, 1.2399995634247095e-21, 4.498482456261604]])
forces =  [[ 1.02809977e-31  3.69653848e-32  1.29378847e-31]
 [-1.47861539e-31  1.47861539e-31  4.07577991e-53]
 [-1.10896154e-31 -1.84826924e-32  1.47861539e-31]
 [-3.69653848e-32  3.69653848e-32  3.69653848e-32]
 [-4.43584618e-31  4.25101925e-31  1.29378847e-31]
 [-2.95723079e-31  7.39307696e-31  4.96722358e-32]
 [-7.11583658e-31  1.10896154e-31 -1.18289231e-30]
 [-6.65376927e-31  7.02342312e-31 -4.43584618e-31]]
stress =  [-8.53450330e-13 -8.53450330e-13 -8.53450330e-13  3.59578557e-34
 -2.03033239e-34  2.25412818e-50]
energy per atom =  -4.527995375836913
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0