element(s):
['Ga']
AFLOW prototype label:
A_tI2_139_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9197', '1.4818988']
model name:
Tersoff_LAMMPS_AlbeNordlundNord_2002_GaAs__MO_799020228312_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga']
representative atom coordinates =  [[0 0 0]]
spacegroup =  139
cell =  [[2.9197, 0, 0], [0, 2.9197, 0], [0, 0, 4.3267]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:18:41       -3.914378        16.293486
BFGS:    1 17:18:41       -5.357137         3.626109
BFGS:    2 17:18:41       -5.426877         0.386467
BFGS:    3 17:18:41       -5.427988         0.090183
BFGS:    4 17:18:41       -5.428071         0.036267
BFGS:    5 17:18:41       -5.428158         0.076125
BFGS:    6 17:18:41       -5.428297         0.090665
BFGS:    7 17:18:41       -5.428356         0.047746
BFGS:    8 17:18:41       -5.428369         0.011306
BFGS:    9 17:18:41       -5.428370         0.000107
BFGS:   10 17:18:41       -5.428370         0.000005
BFGS:   11 17:18:41       -5.428370         0.000000
BFGS:   12 17:18:41       -5.428370         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.894426362161793e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8245314412364753, 1.6095938173007696e-35, 2.3532978476208443e-32], [3.6486356962159917e-35, 2.824531441236475, 1.9860013376503654e-18], [-9.761721659731306e-34, 2.9165902631513194e-18, 4.1896231719760495]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.65642322e-12  5.65642322e-12  5.89442636e-12 -4.37722541e-27
  1.04159547e-33 -6.26364951e-49]
energy per atom =  -2.7141851520540343
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0