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 15:48:37      -12.073235        4.5074
BFGS:    1 15:48:37      -12.754415        4.6351
BFGS:    2 15:48:37      -13.451121        4.7573
BFGS:    3 15:48:37      -14.152390        4.8444
BFGS:    4 15:48:37      -14.847264        4.8660
BFGS:    5 15:48:37      -15.524365        4.8169
BFGS:    6 15:48:37      -16.170668        4.6868
BFGS:    7 15:48:37      -16.773463        4.4537
BFGS:    8 15:48:37      -17.313161        4.1048
BFGS:    9 15:48:37      -17.769997        3.5889
BFGS:   10 15:48:38      -18.129779        2.9029
BFGS:   11 15:48:38      -18.386179        2.0831
BFGS:   12 15:48:38      -18.550175        1.3697
BFGS:   13 15:48:38      -18.658749        2.3916
BFGS:   14 15:48:38      -18.764480        3.1157
BFGS:   15 15:48:38      -18.887070        3.5746
BFGS:   16 15:48:38      -19.007602        3.8411
BFGS:   17 15:48:38      -19.131538        4.0216
BFGS:   18 15:48:38      -19.254267        4.1434
BFGS:   19 15:48:38      -19.375155        4.2005
BFGS:   20 15:48:38      -19.492480        4.2007
BFGS:   21 15:48:38      -19.604253        4.0945
BFGS:   22 15:48:38      -19.708389        3.8710
BFGS:   23 15:48:38      -19.804116        3.5112
BFGS:   24 15:48:38      -19.891736        2.9953
BFGS:   25 15:48:38      -19.971784        2.3286
BFGS:   26 15:48:38      -20.041731        1.4769
BFGS:   27 15:48:38      -20.091414        0.5230
BFGS:   28 15:48:38      -20.099104        0.1081
BFGS:   29 15:48:38      -20.099478        0.0128
BFGS:   30 15:48:38      -20.099498        0.0041
BFGS:   31 15:48:38      -20.099499        0.0004
BFGS:   32 15:48:38      -20.099499        0.0000
BFGS:   33 15:48:39      -20.099499        0.0000
BFGS:   34 15:48:39      -20.099499        0.0000
Minimization converged after 34 steps.
Maximum force component: 3.0224648924662636e-31 eV/Angstrom
Maximum stress component: 1.473812700411678e-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 2.30229089e-60]
 [9.99999997e-01 3.33333338e-09 5.00000000e-01]]
cellpar =  Cell([[2.163630739823215, -3.3753203009636107e-19, -1.0938402214402814e-35], [-1.0818153699116075, 1.8737591850958242, -1.3047150192736127e-35], [4.0479136478557076e-36, -1.1217771993191592e-35, 5.405933100522462]])
forces =  [[-2.84467284e-31  2.46355894e-31 -2.22110900e-32]
 [ 3.02246489e-31 -2.77150381e-31  1.21074935e-66]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-8.63235350e-11 -8.63235350e-11 -1.47381270e-09 -1.62246282e-33
  8.43056414e-33 -1.88496870e-27]
energy per atom =  -5.024874756523183
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0