element(s):
['O']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5258', '3.3934595', '0.67829089']
model name:
Tersoff_LAMMPS_ErhartJuslinGoy_2006_ZnO__MO_616776018688_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['O']
representative atom coordinates =  [[0.33333333 0.66666667 0.67829089]]
spacegroup =  194
cell =  [[2.5258, 0, 0], [-1.2629, 2.1874069648787, 0], [0, 0, 8.5712]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:31:05        2.991450       29.4777
BFGS:    1 15:31:05       -1.795055       31.6875
BFGS:    2 15:31:05       -5.346196       34.4972
BFGS:    3 15:31:05       -8.390388       24.0233
BFGS:    4 15:31:05       -9.388822        5.1614
BFGS:    5 15:31:05       -9.466060        5.0269
BFGS:    6 15:31:05       -8.700395       31.7639
BFGS:    7 15:31:05       -9.838132        6.2796
BFGS:    8 15:31:05       -9.997085        5.2104
BFGS:    9 15:31:05      -10.314515        1.0080
BFGS:   10 15:31:05      -10.330970        0.2338
BFGS:   11 15:31:05      -10.331997        0.0122
BFGS:   12 15:31:05      -10.332000        0.0002
BFGS:   13 15:31:05      -10.332000        0.0000
BFGS:   14 15:31:05      -10.332000        0.0000
Minimization converged after 14 steps.
Maximum force component: 9.272582701669307e-13 eV/Angstrom
Maximum stress component: 4.334770629814485e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O']
basis =  [[0.33333333 0.66666667 0.67887987]
 [0.66666666 0.33333334 0.17887987]
 [0.66666666 0.33333334 0.32112013]
 [0.33333333 0.66666667 0.82112013]]
cellpar =  Cell([[2.65080790569097, 6.852195947664742e-18, 1.7965754565228346e-36], [-1.325403952845485, 2.2956669868810047, -1.4853167302762833e-35], [-4.229930330579392e-35, 1.8480493202753338e-33, 8.489157329123717]])
forces =  [[-1.86190681e-45 -8.70445143e-46  9.27258270e-13]
 [ 1.23357072e-45 -3.34292706e-46  9.27258270e-13]
 [-1.23357072e-45  3.34292706e-46 -9.27258270e-13]
 [ 1.86190681e-45  8.70445143e-46 -9.27258270e-13]]
stress =  [ 5.90177145e-46  5.90177145e-46  4.33477063e-14  9.29349954e-47
  8.18899939e-47 -3.55466067e-62]
energy per atom =  -2.5829999999999993
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0