element(s):
['Zn']
AFLOW prototype label:
A_hP2_194_c
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:
['2.6771', '1.7211908']
model name:
Tersoff_LAMMPS_ErhartJuslinGoy_2006_ZnO__MO_616776018688_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Zn']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.6771, 0, 0], [-1.33855, 2.3184366084713, 0], [0, 0, 4.6078]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:16:48       -2.590724         1.520974
BFGS:    1 14:16:48       -2.620086         1.097235
BFGS:    2 14:16:48       -2.650463         0.404997
BFGS:    3 14:16:48       -2.654819         0.326928
BFGS:    4 14:16:48       -2.659707         0.034136
BFGS:    5 14:16:48       -2.659748         0.003427
BFGS:    6 14:16:48       -2.659748         0.000098
BFGS:    7 14:16:48       -2.659748         0.000002
BFGS:    8 14:16:48       -2.659748         0.000000
BFGS:    9 14:16:48       -2.659748         0.000000
Minimization converged after 9 steps.
Maximum force component: 7.228502071167209e-32 eV/Angstrom
Maximum stress component: 1.0004335077128447e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zn', 'Zn']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.700186161681105, -7.356007489681042e-18, 1.836147212060239e-36], [-1.3500930808405525, 2.338429810963032, 3.9333032425528845e-36], [-1.1465997186611212e-36, -8.070514134520133e-36, 4.398343194847734]])
forces =  [[-1.88439102e-68 -1.32635689e-67  7.22850207e-32]
 [ 1.88439102e-68  1.32635689e-67 -7.22850207e-32]]
stress =  [3.24831888e-12 3.24831888e-12 1.00043351e-11 7.49008980e-34
 6.05416751e-34 1.30681040e-27]
energy per atom =  -1.3298742203523384
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0