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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Zn']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [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 13:06:02      -12.073235         4.507354
BFGS:    1 13:06:02      -12.754415         4.635076
BFGS:    2 13:06:02      -13.451121         4.757308
BFGS:    3 13:06:02      -14.152390         4.844450
BFGS:    4 13:06:02      -14.847264         4.866004
BFGS:    5 13:06:02      -15.524365         4.816908
BFGS:    6 13:06:02      -16.170668         4.686755
BFGS:    7 13:06:02      -16.773463         4.453695
BFGS:    8 13:06:02      -17.313161         4.104751
BFGS:    9 13:06:02      -17.769997         3.588867
BFGS:   10 13:06:02      -18.129779         2.902898
BFGS:   11 13:06:02      -18.386179         2.083105
BFGS:   12 13:06:02      -18.550175         1.369691
BFGS:   13 13:06:03      -18.658749         2.391643
BFGS:   14 13:06:03      -18.764480         3.115716
BFGS:   15 13:06:03      -18.887070         3.574621
BFGS:   16 13:06:03      -19.007602         3.841106
BFGS:   17 13:06:03      -19.131538         4.021624
BFGS:   18 13:06:03      -19.254267         4.143440
BFGS:   19 13:06:03      -19.375155         4.200475
BFGS:   20 13:06:03      -19.492480         4.200655
BFGS:   21 13:06:03      -19.604253         4.094527
BFGS:   22 13:06:03      -19.708389         3.871027
BFGS:   23 13:06:03      -19.804116         3.511196
BFGS:   24 13:06:04      -19.891736         2.995324
BFGS:   25 13:06:04      -19.971784         2.328599
BFGS:   26 13:06:04      -20.041731         1.476898
BFGS:   27 13:06:04      -20.091414         0.522973
BFGS:   28 13:06:04      -20.099104         0.108120
BFGS:   29 13:06:05      -20.099478         0.012764
BFGS:   30 13:06:05      -20.099498         0.004132
BFGS:   31 13:06:05      -20.099499         0.000422
BFGS:   32 13:06:05      -20.099499         0.000024
BFGS:   33 13:06:05      -20.099499         0.000000
BFGS:   34 13:06:06      -20.099499         0.000000
Minimization converged after 34 steps.
Maximum force component: 1.777920524980157e-30 eV/Angstrom
Maximum stress component: 1.4738091216663139e-09 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([[2.1636307398232173, 4.847380712182017e-17, 2.2237057276568662e-35], [-1.0818153699116086, 1.8737591850958235, 4.413267218923221e-35], [2.147989023395324e-35, 1.7330774764359218e-34, 5.405933100522462]])
forces =  [[ 1.77792052e-30 -8.62245631e-31  3.66482985e-31]
 [-8.53401852e-31  9.85423578e-31  2.02860356e-65]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-8.63192709e-11 -8.63192709e-11 -1.47380912e-09 -6.08423559e-34
  1.75636753e-33 -1.17534261e-26]
energy per atom =  -5.02487475652318
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0