element(s):
['O', 'Zn']
AFLOW prototype label:
AB_cP2_221_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:
['2.6268']
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 =  221
cell =  [[2.6268, 0, 0], [0, 2.6268, 0], [0, 0, 2.6268]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:22:37       14.014625       95.8986
BFGS:    1 15:22:37        9.092525       21.0262
BFGS:    2 15:22:37        8.183252       22.1030
BFGS:    3 15:22:37        4.682870       24.6154
BFGS:    4 15:22:37        0.753487       25.7466
BFGS:    5 15:22:37       -2.472183       15.7056
BFGS:    6 15:22:37       -3.686611        0.4148
BFGS:    7 15:22:37       -3.687498        0.0222
BFGS:    8 15:22:37       -3.687501        0.0001
BFGS:    9 15:22:37       -3.687501        0.0000
BFGS:   10 15:22:37       -3.687501        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3261486989455991e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'Zn']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.9754746091171893, -6.379352247512009e-33, -1.4435252390588535e-33], [1.0332853494438963e-32, 2.9754746091171893, 1.3684033926903986e-17], [-1.534615739020521e-33, 1.3684033926903988e-17, 2.9754746091171893]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.32614870e-14 -1.32614870e-14 -1.32614870e-14  2.52432095e-30
 -7.42517494e-33  1.85774387e-48]
energy per atom =  -1.8437503767776169
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0