element(s):
['O', 'Zn']
AFLOW prototype label:
AB_hP4_194_c_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9361', '1.7175505']
model name:
Tersoff_LAMMPS_ErhartJuslinGoy_2006_ZnO__MO_616776018688_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Zn']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.         0.         0.        ]]
spacegroup =  194
cell =  [[2.9361, 0, 0], [-1.46805, 2.5427371880515, 0], [0, 0, 5.0429]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:05:51       12.879246        60.146358
BFGS:    1 13:05:51        7.371549        46.041929
BFGS:    2 13:05:51        3.468735        27.835056
BFGS:    3 13:05:51        1.628396        14.261155
BFGS:    4 13:05:51        0.972854         9.437911
BFGS:    5 13:05:51        0.521875         6.895664
BFGS:    6 13:05:51        0.094913        10.264393
BFGS:    7 13:05:51       -0.617674        16.630683
BFGS:    8 13:05:51       -1.631135        22.104610
BFGS:    9 13:05:51       -2.884027        26.533226
BFGS:   10 13:05:51       -4.317354        29.740385
BFGS:   11 13:05:51       -5.866558        31.528289
BFGS:   12 13:05:51       -7.458456        31.697770
BFGS:   13 13:05:51       -9.010829        30.098534
BFGS:   14 13:05:51      -10.437297        26.652318
BFGS:   15 13:05:51      -11.650124        21.435885
BFGS:   16 13:05:51      -12.569643        14.731146
BFGS:   17 13:05:51      -13.135754         7.035326
BFGS:   18 13:05:51      -13.310197         0.852107
BFGS:   19 13:05:51      -13.312467         0.165780
BFGS:   20 13:05:51      -13.312532         0.066130
BFGS:   21 13:05:51      -13.312546         0.002646
BFGS:   22 13:05:51      -13.312546         0.000165
BFGS:   23 13:05:51      -13.312546         0.000001
BFGS:   24 13:05:51      -13.312546         0.000000
BFGS:   25 13:05:51      -13.312546         0.000000
Minimization converged after 25 steps.
Maximum force component: 4.130214937386246e-31 eV/Angstrom
Maximum stress component: 9.304289838741958e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'Zn', 'Zn']
basis =  [[3.33333330e-01 6.66666670e-01 2.50000000e-01]
 [6.66666663e-01 3.33333337e-01 7.50000000e-01]
 [9.99999997e-01 3.33333338e-09 0.00000000e+00]
 [9.99999997e-01 3.33333338e-09 5.00000000e-01]]
cellpar =  Cell([[3.046207676770486, 2.6852233447658947e-17, -4.600030448862674e-35], [-1.523103838385243, 2.6380932332864155, -1.3150336729114952e-34], [-1.663572761086033e-35, -7.536972430569048e-35, 6.0818142309926815]])
forces =  [[-4.13021494e-31  1.95102058e-31 -9.99521975e-32]
 [ 2.00252845e-31 -1.73424051e-31  7.13282870e-66]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-9.30428984e-12 -9.30428984e-12 -3.52008998e-12 -1.02432060e-33
 -1.77417532e-33  1.58182869e-27]
energy per atom =  -3.328136587674909
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0