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 17:32:18      -27.535445        9.7364
BFGS:    1 17:32:18      -28.887747        8.2931
BFGS:    2 17:32:18      -30.024324        6.8684
BFGS:    3 17:32:18      -30.951510        5.5080
BFGS:    4 17:32:18      -31.681744        4.2474
BFGS:    5 17:32:18      -32.231964        3.1109
BFGS:    6 17:32:18      -32.621846        2.1106
BFGS:    7 17:32:18      -32.871977        1.2466
BFGS:    8 17:32:18      -33.002084        0.5075
BFGS:    9 17:32:18      -33.030995        0.0614
BFGS:   10 17:32:18      -33.031453        0.0033
BFGS:   11 17:32:18      -33.031455        0.0000
BFGS:   12 17:32:18      -33.031455        0.0000
Minimization converged after 12 steps.
Maximum force component: 8.61974444684249e-31 eV/Angstrom
Maximum stress component: 4.6094632720057145e-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 2.90824154e-33 2.50000000e-01]
 [1.25000000e-01 3.96578392e-33 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 0.00000000e+00]
 [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([[5.8276395849887095, 7.223184333770848e-34, -9.939160325554596e-34], [-5.906158251044876e-33, 5.8276395849887095, -6.628800754384651e-18], [7.916143927972742e-33, -6.628800754384657e-18, 5.8276395849887095]])
forces =  [[-7.66199506e-31  1.43662407e-31  4.78874691e-31]
 [ 1.91549877e-31  1.43662407e-31  1.91549877e-31]
 [ 4.78874691e-32 -1.43662407e-31  1.63412555e-49]
 [-1.30861645e-64 -1.43662407e-31 -2.03521744e-31]
 [-9.57749383e-32 -4.78874691e-32 -3.83099753e-31]
 [-9.57749383e-32  5.98593364e-32  9.57749383e-32]
 [ 8.02943809e-65 -1.91549877e-31 -8.38030710e-32]
 [ 3.83099753e-31 -5.74649630e-31  6.53650220e-49]
 [-2.15493611e-31 -9.57749383e-32 -1.91549877e-31]
 [ 9.57749383e-32 -1.91549877e-31 -4.78874691e-32]
 [ 1.43662407e-31 -9.80475331e-49  8.61974445e-31]
 [ 2.39437346e-31 -1.91549877e-31  6.58452701e-31]]
stress =  [ 4.60946327e-10  4.60946327e-10  4.60946327e-10  3.94791651e-26
 -1.20980071e-34 -3.60716789e-50]
energy per atom =  -2.7526212094220255
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0