element(s):
['Ga']
AFLOW prototype label:
A_oC4_63_c
Parameter names:
['a', 'b/a', 'c/a', 'y1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7854', '2.9018453', '1.1948374', '0.13408348']
model name:
Tersoff_LAMMPS_NordAlbeErhart_2003_GaN__MO_612061685362_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga']
representative atom coordinates =  [[0.         0.13408348 0.25      ]]
spacegroup =  63
cell =  [[2.7854, 0, 0], [0, 8.0828, 0], [0, 0, 3.3281]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:42:22       -9.666821         8.482687
BFGS:    1 17:42:22      -10.720592         4.601363
BFGS:    2 17:42:22      -11.042811         1.990924
BFGS:    3 17:42:22      -11.128109         0.591463
BFGS:    4 17:42:22      -11.134990         0.182429
BFGS:    5 17:42:22      -11.135923         0.180595
BFGS:    6 17:42:22      -11.137516         0.239832
BFGS:    7 17:42:22      -11.140960         0.289788
BFGS:    8 17:42:23      -11.146050         0.277685
BFGS:    9 17:42:23      -11.150258         0.222398
BFGS:   10 17:42:23      -11.153452         0.253070
BFGS:   11 17:42:23      -11.155024         0.185193
BFGS:   12 17:42:23      -11.156129         0.103473
BFGS:   13 17:42:23      -11.156669         0.076051
BFGS:   14 17:42:23      -11.157150         0.094175
BFGS:   15 17:42:23      -11.157470         0.097085
BFGS:   16 17:42:23      -11.157605         0.047412
BFGS:   17 17:42:23      -11.157647         0.022535
BFGS:   18 17:42:23      -11.157597         0.044319
BFGS:   19 17:42:23      -11.157658         0.001148
BFGS:   20 17:42:24      -11.157658         0.000364
BFGS:   21 17:42:24      -11.157658         0.000001
BFGS:   22 17:42:24      -11.157658         0.000000
BFGS:   23 17:42:24      -11.157658         0.000000
Minimization converged after 23 steps.
Maximum force component: 1.0245601797520545e-09 eV/Angstrom
Maximum stress component: 2.5491054191216595e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga']
basis =  [[0.         0.14107705 0.25      ]
 [0.         0.85892295 0.75      ]
 [0.5        0.64107705 0.25      ]
 [0.5        0.35892295 0.75      ]]
cellpar =  Cell([[2.724192054825774, 1.4043982988655416e-35, 0.0], [8.594971138178555e-37, 7.521384180574204, 0.0], [0.0, 0.0, 3.404949984395975]])
forces =  [[ 2.18258687e-31 -1.02456018e-09 -3.35753991e-31]
 [-5.03673893e-32  1.02456018e-09  2.51815493e-31]
 [ 1.34313038e-31 -1.02456018e-09 -3.35753991e-31]
 [-6.71565191e-32  1.02456018e-09  3.35753991e-31]]
stress =  [1.49417889e-10 2.54910542e-10 2.49783724e-10 0.00000000e+00
 0.00000000e+00 4.81254665e-33]
energy per atom =  -2.7894146133432596
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0