element(s):
['Ga', 'N']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.205', '1.6289236', '0.00016799968', '0.376832']
model name:
Tersoff_LAMMPS_NordAlbeErhart_2003_GaN__MO_612061685362_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga', 'N']
representative atom coordinates =  [[0.33333333 0.66666667 0.500168  ]
 [0.33333333 0.66666667 0.876832  ]]
spacegroup =  186
cell =  [[3.205, 0, 0], [-1.6025, 2.7756114191291, 0], [0, 0, 5.2207]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:44:14      -18.098997         0.330794
BFGS:    1 11:44:14      -18.103274         0.253781
BFGS:    2 11:44:14      -18.109764         0.145322
BFGS:    3 11:44:14      -18.111387         0.096534
BFGS:    4 11:44:14      -18.111919         0.027203
BFGS:    5 11:44:14      -18.111933         0.017950
BFGS:    6 11:44:14      -18.111943         0.010839
BFGS:    7 11:44:14      -18.111961         0.013047
BFGS:    8 11:44:14      -18.111976         0.010144
BFGS:    9 11:44:14      -18.111981         0.003442
BFGS:   10 11:44:14      -18.111981         0.000610
BFGS:   11 11:44:14      -18.111982         0.000034
BFGS:   12 11:44:14      -18.111982         0.000002
BFGS:   13 11:44:14      -18.111982         0.000000
BFGS:   14 11:44:14      -18.111982         0.000000
Minimization converged after 14 steps.
Maximum force component: 5.863011152962282e-10 eV/Angstrom
Maximum stress component: 7.43585470830692e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'N', 'N']
basis =  [[0.33333333 0.66666667 0.501     ]
 [0.66666666 0.33333334 0.001     ]
 [0.33333333 0.66666667 0.876     ]
 [0.66666666 0.33333334 0.376     ]]
cellpar =  Cell([[3.1809074498845056, 6.549310309664446e-19, -1.2103992954146912e-38], [-1.5904537249422528, 2.7547466586871567, -2.8074126076810733e-37], [-1.575093060958747e-37, 9.165927732383029e-38, 5.194400114010971]])
forces =  [[-4.96631011e-31  1.35819496e-31 -5.86297847e-10]
 [ 6.27323383e-31 -3.62185324e-31 -5.86297847e-10]
 [-6.27323383e-31  3.62185324e-31  5.86301115e-10]
 [ 7.84154228e-31 -2.71638993e-31  5.86301115e-10]]
stress =  [ 5.58191967e-12  5.58191967e-12 -7.43585471e-11 -1.14852944e-33
 -1.98931134e-33  2.10451085e-27]
energy per atom =  -4.527995375836905
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0