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 13:06:02       -8.510919         1.925083
BFGS:    1 13:06:02       -8.565879         1.730333
BFGS:    2 13:06:02       -8.648208         1.279471
BFGS:    3 13:06:03       -8.702159         0.677070
BFGS:    4 13:06:03       -8.719208         0.115055
BFGS:    5 13:06:03       -8.719535         0.042432
BFGS:    6 13:06:03       -8.719589         0.033530
BFGS:    7 13:06:03       -8.719677         0.000290
BFGS:    8 13:06:03       -8.719677         0.000002
BFGS:    9 13:06:03       -8.719677         0.000000
BFGS:   10 13:06:03       -8.719677         0.000000
Minimization converged after 10 steps.
Maximum force component: 1.0325812237629359e-30 eV/Angstrom
Maximum stress component: 2.699824841742856e-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([[3.4905392215666278, -1.1890526599593834e-18, -3.7819249992755435e-37], [-1.7452696107833139, 3.022895638782659, 6.1223601769141394e-37], [-7.2254267703945945e-37, 1.2396501387846497e-36, 4.056080829196715]])
forces =  [[-8.03118730e-31  1.98720349e-31  2.66640300e-31]
 [ 1.03258122e-30 -5.96161047e-31 -2.66640300e-31]
 [-6.31021859e-31  2.98080524e-31  1.10094679e-67]
 [ 6.31021859e-31 -2.98080524e-31 -1.10094679e-67]]
stress =  [-6.99613294e-12 -6.99613294e-12 -2.69982484e-11 -2.34567311e-33
 -5.80403573e-34 -5.04128308e-28]
energy per atom =  -2.1799192059952546
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0