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 20:00:56       -3.914378        16.293486
BFGS:    1 20:00:56       -5.357137         3.626109
BFGS:    2 20:00:56       -5.426877         0.386467
BFGS:    3 20:00:56       -5.427988         0.090183
BFGS:    4 20:00:56       -5.428071         0.036267
BFGS:    5 20:00:56       -5.428158         0.076125
BFGS:    6 20:00:56       -5.428297         0.090665
BFGS:    7 20:00:56       -5.428356         0.047746
BFGS:    8 20:00:57       -5.428369         0.011306
BFGS:    9 20:00:57       -5.428370         0.000107
BFGS:   10 20:00:57       -5.428370         0.000005
BFGS:   11 20:00:57       -5.428370         0.000000
BFGS:   12 20:00:57       -5.428370         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.8923316092589e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8245314412364775, 2.7698529580952615e-35, -1.5064934725959612e-33], [1.2973957542862458e-34, 2.824531441236478, -1.8265206400884913e-18], [-4.397570000108056e-33, -2.6793254132957413e-18, 4.189623171976042]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [5.65633657e-12 5.65633657e-12 5.89233161e-12 3.61457403e-27
 2.08319094e-33 1.13322683e-48]
energy per atom =  -2.7141851520540365
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0