element(s):
['O', 'Zn']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4976']
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.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[4.4976, 0, 0], [0, 4.4976, 0], [0, 0, 4.4976]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:15:25      -30.024882        0.4053
BFGS:    1 14:15:25      -30.031702        0.3798
BFGS:    2 14:15:25      -30.072525        0.1667
BFGS:    3 14:15:25      -30.082749        0.0089
BFGS:    4 14:15:25      -30.082780        0.0002
BFGS:    5 14:15:25      -30.082780        0.0000
BFGS:    6 14:15:25      -30.082780        0.0000
Minimization converged after 6 steps.
Maximum force component: 9.690752529856365e-31 eV/Angstrom
Maximum stress component: 1.0055435262448478e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'Zn', 'Zn', 'Zn', 'Zn']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]]
cellpar =  Cell([[4.552225324271258, -1.09259542414223e-32, 5.759372991496127e-35], [-6.345803768527402e-33, 4.552225324271258, -5.232481647931979e-19], [2.4200408833998927e-36, -5.23248164793197e-19, 4.552225324271258]])
forces =  [[ 7.01381365e-33 -5.71052275e-52  4.96811800e-33]
 [ 9.35175154e-33 -8.06191447e-52  7.01381365e-33]
 [ 9.35175154e-33  2.92242236e-34  4.67587577e-33]
 [ 9.35175154e-33 -1.07492193e-51  9.35175154e-33]
 [-1.04298715e-63  7.48140123e-31 -1.49628025e-31]
 [ 1.12221018e-31 -9.63230408e-31 -4.74601390e-31]
 [ 5.04994583e-31  4.30180571e-31  2.61849043e-31]
 [-6.54622608e-32 -9.69075253e-31 -1.02869267e-31]]
stress =  [-1.00554353e-12 -1.00554353e-12 -1.00554353e-12 -7.15313752e-31
  7.93070317e-34 -3.89386525e-52]
energy per atom =  -3.760347452758368
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0