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 14:39:01       -8.112250       68.6134
BFGS:    1 14:39:02      -17.308535       53.5111
BFGS:    2 14:39:02      -24.036474       35.8474
BFGS:    3 14:39:02      -27.992131       16.7874
BFGS:    4 14:39:02      -29.100984        0.1289
BFGS:    5 14:39:02      -29.101052        0.0038
BFGS:    6 14:39:02      -29.101052        0.0000
BFGS:    7 14:39:02      -29.101052        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3573983498991994e-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]
 [4.40305595e-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 5.42396931e-68 3.96615878e-50]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [7.53374991e-70 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.312912092421682, 3.0106286374498733e-32, 2.7169656092515274e-33], [1.8190805682642597e-35, 4.312912092421682, -5.8981760833352746e-18], [1.658876490301572e-32, -5.898176083335275e-18, 4.312912092421682]])
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 =  [-1.35739835e-12 -1.35739835e-12 -1.35739835e-12 -1.57580772e-29
 -6.18466277e-33 -1.53906574e-49]
energy per atom =  -3.6376315076527472
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0