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:
Sim_LAMMPS_ReaxFF_RaymandVanDuinBaudin_2008_ZnOH__SM_449472104549_001
==== 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 12:02:31      -14.312952         2.981295
BFGS:    1 12:02:31      -14.460759         2.351647
BFGS:    2 12:02:31      -14.580336         1.660101
BFGS:    3 12:02:31      -14.652357         1.028658
BFGS:    4 12:02:31      -14.685993         0.446822
BFGS:    5 12:02:31      -14.693284         0.288987
BFGS:    6 12:02:31      -14.696658         0.280214
BFGS:    7 12:02:31      -14.702976         0.165263
BFGS:    8 12:02:31      -14.705363         0.074785
BFGS:    9 12:02:31      -14.705978         0.017507
BFGS:   10 12:02:31      -14.706041         0.001070
BFGS:   11 12:02:31      -14.706042         0.000060
BFGS:   12 12:02:31      -14.706042         0.000001
BFGS:   13 12:02:31      -14.706042         0.000000
BFGS:   14 12:02:31      -14.706042         0.000000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.2519022772549712e-11 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([[2.9564789491612697, 1.1076049710034447e-17, 4.504921713847349e-38], [-1.4782394745806349, 2.5603858757275813, 1.0859174319568773e-36], [6.593828705829709e-37, 3.954006006134878e-37, 5.367134930690492]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.39793446e-12 -3.39793446e-12 -2.25190228e-11  6.88864403e-31
  1.32572016e-31 -9.97805229e-28]
energy per atom =  -3.622177887785986
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0