element(s):
['Mg', 'O']
AFLOW prototype label:
AB2_cP12_205_a_c
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8976', '0.58880389']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg', 'O']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.58880389 0.58880389 0.58880389]]
spacegroup =  205
cell =  [[4.8976, 0, 0], [0, 4.8976, 0], [0, 0, 4.8976]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:55:25      -39.712692         9.938192
BFGS:    1 12:55:25      -43.946996         9.138635
BFGS:    2 12:55:26      -45.845119         4.671541
BFGS:    3 12:55:26      -46.186431         2.829413
BFGS:    4 12:55:26      -46.577752         2.725468
BFGS:    5 12:55:27      -46.948777         2.643751
BFGS:    6 12:55:27      -47.306987         2.567135
BFGS:    7 12:55:28      -47.653457         2.479850
BFGS:    8 12:55:28      -47.986852         2.377846
BFGS:    9 12:55:29      -48.305260         2.260969
BFGS:   10 12:55:29      -48.606642         2.128624
BFGS:   11 12:55:30      -48.888593         1.977396
BFGS:   12 12:55:30      -49.151578         1.827906
BFGS:   13 12:55:30      -49.389552         1.637806
BFGS:   14 12:55:31      -49.600104         1.428454
BFGS:   15 12:55:31      -49.780714         1.193595
BFGS:   16 12:55:32      -49.926329         0.925858
BFGS:   17 12:55:32      -50.032974         0.626636
BFGS:   18 12:55:33      -50.098369         0.314616
BFGS:   19 12:55:33      -50.116567         0.048411
BFGS:   20 12:55:34      -50.117139         0.011101
BFGS:   21 12:55:34      -50.117141         0.002229
BFGS:   22 12:55:34      -50.117141         0.000094
BFGS:   23 12:55:35      -50.117141         0.000001
BFGS:   24 12:55:35      -50.117141         0.000000
BFGS:   25 12:55:36      -50.117141         0.000000
Minimization converged after 25 steps.
Maximum force component: 5.955287253349817e-10 eV/Angstrom
Maximum stress component: 1.870342267353309e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O']
basis =  [[0.        0.        0.       ]
 [0.5       0.        0.5      ]
 [0.        0.5       0.5      ]
 [0.5       0.5       0.       ]
 [0.5832799 0.5832799 0.5832799]
 [0.9167201 0.4167201 0.0832799]
 [0.4167201 0.0832799 0.9167201]
 [0.0832799 0.9167201 0.4167201]
 [0.4167201 0.4167201 0.4167201]
 [0.0832799 0.5832799 0.9167201]
 [0.5832799 0.9167201 0.0832799]
 [0.9167201 0.0832799 0.5832799]]
cellpar =  Cell([[4.5442501991878625, 1.6691036671094978e-36, 0.0], [-1.815362065251826e-35, 4.5442501991878625, 0.0], [0.0, 0.0, 4.5442501991878625]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 5.95528725e-10  5.95528725e-10  5.95528725e-10]
 [-5.95528725e-10 -5.95528725e-10  5.95528725e-10]
 [-5.95528725e-10  5.95528725e-10 -5.95528725e-10]
 [ 5.95528725e-10 -5.95528725e-10 -5.95528725e-10]
 [-5.95528725e-10 -5.95528725e-10 -5.95528725e-10]
 [ 5.95528725e-10  5.95528725e-10 -5.95528725e-10]
 [ 5.95528725e-10 -5.95528725e-10  5.95528725e-10]
 [-5.95528725e-10  5.95528725e-10  5.95528725e-10]]
stress =  [-1.87034227e-11 -1.87034227e-11 -1.87034227e-11  0.00000000e+00
  0.00000000e+00 -5.09348112e-32]
energy per atom =  -4.176428383385738
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0