element(s):
['O', 'Zn']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2106']
model name:
Tersoff_LAMMPS_ErhartJuslinGoy_2006_ZnO__MO_616776018688_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Zn']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.2106, 0, 0], [0, 4.2106, 0], [0, 0, 4.2106]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:14:40       -8.112250        68.613387
BFGS:    1 11:14:40      -17.308535        53.511099
BFGS:    2 11:14:40      -24.036474        35.847393
BFGS:    3 11:14:40      -27.992131        16.787406
BFGS:    4 11:14:40      -29.100984         0.128894
BFGS:    5 11:14:40      -29.101052         0.003847
BFGS:    6 11:14:40      -29.101052         0.000001
BFGS:    7 11:14:41      -29.101052         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2627001382104483e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'Zn', 'Zn', 'Zn', 'Zn']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.78477145e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.312912092421683, 2.701020302524097e-32, 7.68221511172538e-33], [-9.344535721500145e-34, 4.312912092421683, -5.898175737475905e-18], [6.754311723230192e-33, -5.898175737475892e-18, 4.312912092421683]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.26270014e-12 -1.26270014e-12 -1.26270014e-12  3.73505939e-29
  1.76704650e-33  7.46525195e-50]
energy per atom =  -3.637631507652835
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0