element(s):
['Mg', 'O']
AFLOW prototype label:
AB_hP4_194_c_d
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:
['3.5261', '1.2017243']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg', 'O']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.33333333 0.66666667 0.75      ]]
spacegroup =  194
cell =  [[3.5261, 0, 0], [-1.76305, 3.0536921762843, 0], [0, 0, 4.2374]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:05:35       -8.510919         1.925083
BFGS:    1 12:05:35       -8.565879         1.730333
BFGS:    2 12:05:35       -8.648208         1.279471
BFGS:    3 12:05:35       -8.702159         0.677070
BFGS:    4 12:05:35       -8.719208         0.115055
BFGS:    5 12:05:35       -8.719535         0.042432
BFGS:    6 12:05:35       -8.719589         0.033530
BFGS:    7 12:05:35       -8.719677         0.000290
BFGS:    8 12:05:35       -8.719677         0.000002
BFGS:    9 12:05:35       -8.719677         0.000000
BFGS:   10 12:05:35       -8.719677         0.000000
Minimization converged after 10 steps.
Maximum force component: 4.876078001102753e-31 eV/Angstrom
Maximum stress component: 2.6998248227430492e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'O', 'O']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]
 [0.33333333 0.66666667 0.75      ]
 [0.66666666 0.33333334 0.25      ]]
cellpar =  Cell([[3.4905392215666273, -4.3890904987270636e-18, 2.4806263330821166e-37], [-1.7452696107833137, 3.022895638782659, 2.24300597742611e-36], [7.228007990680885e-36, 3.377482683981337e-35, 4.056080829196715]])
forces =  [[ 4.87607800e-31 -4.47120786e-31 -3.15458956e-67]
 [-4.87607800e-31  4.47120786e-31  3.15458956e-67]
 [-3.44193741e-31  1.98720349e-31 -2.66640300e-31]
 [ 3.44193741e-31 -1.98720349e-31  2.66640300e-31]]
stress =  [-6.99620503e-12 -6.99620503e-12 -2.69982482e-11 -3.35096159e-34
  5.80403573e-34 -1.82457898e-27]
energy per atom =  -2.179919205995254
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0