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 15:46:12      -10.155687        2.6576
BFGS:    1 15:46:12      -10.425205        2.5021
BFGS:    2 15:46:12      -10.749384        2.2195
BFGS:    3 15:46:12      -11.025326        1.8280
BFGS:    4 15:46:12      -11.234630        1.3312
BFGS:    5 15:46:12      -11.356226        0.7262
BFGS:    6 15:46:12      -11.380368        0.3064
BFGS:    7 15:46:12      -11.383714        0.2816
BFGS:    8 15:46:12      -11.391559        0.4481
BFGS:    9 15:46:12      -11.425439        0.9942
BFGS:   10 15:46:12      -11.460182        1.4531
BFGS:   11 15:46:12      -11.493881        1.8570
BFGS:   12 15:46:12      -11.527141        2.2190
BFGS:   13 15:46:12      -11.560894        2.5496
BFGS:   14 15:46:12      -11.596952        2.8557
BFGS:   15 15:46:12      -11.633840        3.1476
BFGS:   16 15:46:12      -11.672467        3.4276
BFGS:   17 15:46:12      -11.714926        3.6879
BFGS:   18 15:46:12      -11.763077        3.9213
BFGS:   19 15:46:12      -11.817405        4.1152
BFGS:   20 15:46:12      -11.873893        4.2111
BFGS:   21 15:46:12      -11.925125        4.1493
BFGS:   22 15:46:12      -11.964609        3.8005
BFGS:   23 15:46:12      -12.013573        3.3128
BFGS:   24 15:46:12      -12.189069        3.2026
BFGS:   25 15:46:12      -12.558682        3.2065
BFGS:   26 15:46:12      -12.862256        3.1399
BFGS:   27 15:46:12      -13.155663        3.0053
BFGS:   28 15:46:12      -13.438244        2.7907
BFGS:   29 15:46:13      -13.701598        2.4740
BFGS:   30 15:46:13      -13.933819        2.0342
BFGS:   31 15:46:13      -14.120082        1.4457
BFGS:   32 15:46:13      -14.243749        1.0695
BFGS:   33 15:46:13      -14.279510        0.5162
BFGS:   34 15:46:13      -14.283848        0.3385
BFGS:   35 15:46:13      -14.284993        0.0516
BFGS:   36 15:46:13      -14.285082        0.0177
BFGS:   37 15:46:13      -14.285097        0.0021
BFGS:   38 15:46:13      -14.285097        0.0001
BFGS:   39 15:46:13      -14.285097        0.0000
BFGS:   40 15:46:13      -14.285097        0.0000
BFGS:   41 15:46:13      -14.285097        0.0000
Minimization converged after 41 steps.
Maximum force component: 3.477022833607395e-11 eV/Angstrom
Maximum stress component: 6.8054363861087126e-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, 8.721457398713898e-17, -1.2564421962952658e-36], [-1.5787540525225223, 2.734482231624273, -1.8024237670275394e-36], [-7.721453537748526e-38, 3.6173896595363566e-36, 3.6676542332469504]])
forces =  [[-1.58271788e-30 -1.34820383e-31 -3.47702283e-11]
 [ 2.07569558e-31 -3.59521021e-31 -3.47702283e-11]
 [-1.97191081e-30  5.39281532e-31  3.47689760e-11]
 [ 2.04974939e-30 -6.74101915e-31  3.47689760e-11]]
stress =  [ 1.60467641e-12  1.60467641e-12 -6.80543639e-12  4.09671463e-34
 -7.09571789e-34  5.44011399e-28]
energy per atom =  -3.5712742219888103
===============================================
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.