element(s):
['Ga']
AFLOW prototype label:
A_cI12_220_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.0491']
model name:
Tersoff_LAMMPS_NordAlbeErhart_2003_GaN__MO_612061685362_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga']
representative atom coordinates =  [[0.375 0.    0.25 ]]
spacegroup =  220
cell =  [[6.0491, 0, 0], [0, 6.0491, 0], [0, 0, 6.0491]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:31:45      -27.535445         9.736442
BFGS:    1 16:31:45      -28.887747         8.293108
BFGS:    2 16:31:45      -30.024324         6.868446
BFGS:    3 16:31:45      -30.951510         5.508031
BFGS:    4 16:31:45      -31.681744         4.247438
BFGS:    5 16:31:45      -32.231964         3.110900
BFGS:    6 16:31:45      -32.621846         2.110593
BFGS:    7 16:31:45      -32.871977         1.246591
BFGS:    8 16:31:45      -33.002084         0.507463
BFGS:    9 16:31:45      -33.030995         0.061405
BFGS:   10 16:31:45      -33.031453         0.003315
BFGS:   11 16:31:45      -33.031455         0.000022
BFGS:   12 16:31:45      -33.031455         0.000000
Minimization converged after 12 steps.
Maximum force component: 4.788746914912494e-31 eV/Angstrom
Maximum stress component: 4.6094469013124375e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga']
basis =  [[3.75000000e-01 2.97433794e-34 2.50000000e-01]
 [1.25000000e-01 0.00000000e+00 7.50000000e-01]
 [6.25000000e-01 5.00000000e-01 2.50000000e-01]
 [8.75000000e-01 5.00000000e-01 7.50000000e-01]
 [2.50000000e-01 3.75000000e-01 6.24610967e-33]
 [7.50000000e-01 1.25000000e-01 0.00000000e+00]
 [2.50000000e-01 6.25000000e-01 5.00000000e-01]
 [7.50000000e-01 8.75000000e-01 5.00000000e-01]
 [1.00000000e+00 2.50000000e-01 3.75000000e-01]
 [1.00000000e+00 7.50000000e-01 1.25000000e-01]
 [5.00000000e-01 2.50000000e-01 6.25000000e-01]
 [5.00000000e-01 7.50000000e-01 8.75000000e-01]]
cellpar =  Cell([[5.827639584988709, -9.042766625940465e-33, -8.794059122307626e-33], [-2.0608323138011403e-32, 5.827639584988709, -3.0168629790859085e-18], [1.2555752309721282e-32, -3.0168629790859312e-18, 5.827639584988709]])
forces =  [[-1.67606142e-31 -4.30987222e-31  1.91549877e-31]
 [-4.78874691e-31 -4.07043488e-31  1.67606142e-31]
 [-1.91549877e-31 -4.78874691e-32  2.39437346e-31]
 [ 1.91549877e-31 -1.19718673e-31  2.63381080e-31]
 [ 9.57749383e-32  3.83099753e-31 -4.30987222e-31]
 [-4.78874691e-32 -4.78874691e-32  2.47904715e-50]
 [-1.19718673e-31  9.57749383e-32 -4.30987222e-31]
 [-1.91549877e-31 -3.83099753e-31  2.63381080e-31]
 [-4.30987222e-31  9.57749383e-32 -4.78874691e-32]
 [-3.83099753e-31  3.09880893e-51 -5.98593364e-33]
 [-3.89085687e-32 -9.57749383e-32  4.95809429e-50]
 [-9.57749383e-32  1.91549877e-31 -1.19718673e-31]]
stress =  [ 4.60944690e-10  4.60944690e-10  4.60944690e-10  8.18922434e-27
 -1.04326433e-57 -4.99146850e-58]
energy per atom =  -2.752621209422021
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0