element(s):
['O', 'Zn']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1979', '1.6039901', '0.38191588', '0.00048411652']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Zn']
representative atom coordinates =  [[0.33333333 0.66666667 0.88191588]
 [0.33333333 0.66666667 0.50048412]]
spacegroup =  186
cell =  [[3.1979, 0, 0], [-1.59895, 2.7694626387623, 0], [0, 0, 5.1294]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:02:43      -10.155687         2.657632
BFGS:    1 12:02:43      -10.425205         2.502084
BFGS:    2 12:02:43      -10.749384         2.219475
BFGS:    3 12:02:43      -11.025326         1.827982
BFGS:    4 12:02:43      -11.234630         1.331154
BFGS:    5 12:02:43      -11.356226         0.726157
BFGS:    6 12:02:43      -11.380368         0.306413
BFGS:    7 12:02:43      -11.383714         0.281583
BFGS:    8 12:02:43      -11.391559         0.448087
BFGS:    9 12:02:43      -11.425439         0.994181
BFGS:   10 12:02:43      -11.460182         1.453134
BFGS:   11 12:02:43      -11.493881         1.856999
BFGS:   12 12:02:44      -11.527141         2.218958
BFGS:   13 12:02:44      -11.560894         2.549577
BFGS:   14 12:02:44      -11.596952         2.855670
BFGS:   15 12:02:44      -11.633840         3.147591
BFGS:   16 12:02:44      -11.672467         3.427643
BFGS:   17 12:02:44      -11.714926         3.687906
BFGS:   18 12:02:44      -11.763077         3.921309
BFGS:   19 12:02:44      -11.817405         4.115185
BFGS:   20 12:02:44      -11.873893         4.211120
BFGS:   21 12:02:44      -11.925125         4.149263
BFGS:   22 12:02:44      -11.964609         3.800537
BFGS:   23 12:02:44      -12.013573         3.312829
BFGS:   24 12:02:44      -12.189069         3.202552
BFGS:   25 12:02:44      -12.558682         3.206482
BFGS:   26 12:02:44      -12.862256         3.139931
BFGS:   27 12:02:44      -13.155663         3.005281
BFGS:   28 12:02:44      -13.438244         2.790652
BFGS:   29 12:02:44      -13.701598         2.474038
BFGS:   30 12:02:44      -13.933819         2.034155
BFGS:   31 12:02:44      -14.120082         1.445723
BFGS:   32 12:02:44      -14.243749         1.069541
BFGS:   33 12:02:44      -14.279510         0.516228
BFGS:   34 12:02:44      -14.283848         0.338491
BFGS:   35 12:02:44      -14.284993         0.051631
BFGS:   36 12:02:44      -14.285082         0.017713
BFGS:   37 12:02:44      -14.285097         0.002118
BFGS:   38 12:02:44      -14.285097         0.000055
BFGS:   39 12:02:44      -14.285097         0.000002
BFGS:   40 12:02:44      -14.285097         0.000000
BFGS:   41 12:02:44      -14.285097         0.000000
Minimization converged after 41 steps.
Maximum force component: 3.480287581833931e-11 eV/Angstrom
Maximum stress component: 6.806903845617755e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'Zn', 'Zn']
basis =  [[0.33333333 0.66666667 0.9412    ]
 [0.66666666 0.33333334 0.4412    ]
 [0.33333333 0.66666667 0.4412    ]
 [0.66666666 0.33333334 0.9412    ]]
cellpar =  Cell([[3.1575081050450446, 8.576387549477184e-18, -5.467049387498938e-36], [-1.5787540525225223, 2.7344822316242734, -7.422821533940945e-36], [-8.947296412060883e-35, 1.9060569577712392e-35, 3.66765423324695]])
forces =  [[-2.07569558e-31  3.59521021e-31 -3.48028758e-11]
 [-2.07569558e-31  3.59521021e-31 -3.48028758e-11]
 [ 2.49083470e-30 -1.43808409e-30  3.48020672e-11]
 [-4.56653029e-30  2.15712613e-30  3.48020672e-11]]
stress =  [ 1.60439320e-12  1.60439320e-12 -6.80690385e-12 -7.68133994e-35
 -1.33044710e-34  9.72345874e-29]
energy per atom =  -3.5712742219888094
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB_hP4_186_b_b, while relaxed is AB_hP4_194_c_d. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.