element(s):
['As']
AFLOW prototype label:
A_cP1_221_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7336']
model name:
Tersoff_LAMMPS_AlbeNordlundNord_2002_GaAs__MO_799020228312_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['As']
representative atom coordinates =  [[0 0 0]]
spacegroup =  221
cell =  [[2.7336, 0, 0], [0, 2.7336, 0], [0, 0, 2.7336]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:41:45       -2.812201         1.024037
BFGS:    1 10:41:45       -2.851336         0.750678
BFGS:    2 10:41:45       -2.882810         0.313229
BFGS:    3 10:41:45       -2.887258         0.054200
BFGS:    4 10:41:45       -2.887409         0.003105
BFGS:    5 10:41:45       -2.887409         0.000034
BFGS:    6 10:41:45       -2.887409         0.000000
BFGS:    7 10:41:45       -2.887409         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.275091665036868e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['As']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.611067869722448, -6.551391671266333e-33, -1.574932081487048e-33], [-5.8630385395448725e-33, 2.611067869722448, 1.2145572807648388e-17], [-2.517555916023424e-33, 1.2145572807648396e-17, 2.611067869722448]])
forces =  [[0. 0. 0.]]
stress =  [7.27509167e-15 7.27509167e-15 7.27509167e-15 4.23670541e-31
 9.41635687e-36 6.54422809e-52]
energy per atom =  -2.887409055335323
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0