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 14:15:25      -36.204199        0.2660
BFGS:    1 14:15:25      -36.207116        0.2460
BFGS:    2 14:15:25      -36.223942        0.0088
BFGS:    3 14:15:25      -36.223963        0.0003
BFGS:    4 14:15:25      -36.223963        0.0000
BFGS:    5 14:15:25      -36.223963        0.0000
Minimization converged after 5 steps.
Maximum force component: 1.2568230838259436e-30 eV/Angstrom
Maximum stress component: 8.536807850094828e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga', 'N', 'N', 'N', 'N']
basis =  [[0.00000000e+00 0.00000000e+00 1.55395242e-42]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.09047271e-38]
 [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([[4.498482456261605, -1.82670210021229e-33, -2.9801549196285564e-33], [1.8266828596457934e-33, 4.498482456261605, 1.2428803397107971e-21], [-4.3887401151901545e-34, 1.2428803397071365e-21, 4.498482456261605]])
forces =  [[ 7.39307696e-32  7.39307696e-32 -1.47861539e-31]
 [ 7.39307696e-32 -2.04262440e-53 -7.39307696e-32]
 [ 9.24134620e-32  3.69653848e-32 -1.47861539e-31]
 [ 2.77240386e-32  7.39307696e-32 -3.69653848e-32]
 [-4.04695919e-64 -9.61100005e-31  1.47861539e-31]
 [ 2.58757694e-31 -7.39307696e-31 -2.04262440e-52]
 [ 1.84826924e-32 -9.61100005e-31  7.39307696e-31]
 [-1.47861539e-31 -6.28411542e-31 -1.25682308e-30]]
stress =  [-8.53680785e-13 -8.53680785e-13 -8.53680785e-13 -3.79112317e-28
 -1.62426591e-33 -3.60659874e-49]
energy per atom =  -4.527995375836911
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0