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 17:25:54      -39.712692        9.9382
BFGS:    1 17:25:54      -43.946996        9.1386
BFGS:    2 17:25:54      -45.845119        4.6715
BFGS:    3 17:25:54      -46.186431        2.8294
BFGS:    4 17:25:54      -46.577752        2.7255
BFGS:    5 17:25:54      -46.948777        2.6438
BFGS:    6 17:25:54      -47.306987        2.5671
BFGS:    7 17:25:54      -47.653457        2.4798
BFGS:    8 17:25:54      -47.986852        2.3778
BFGS:    9 17:25:55      -48.305260        2.2610
BFGS:   10 17:25:55      -48.606642        2.1286
BFGS:   11 17:25:55      -48.888593        1.9774
BFGS:   12 17:25:55      -49.151578        1.8279
BFGS:   13 17:25:55      -49.389552        1.6378
BFGS:   14 17:25:55      -49.600104        1.4285
BFGS:   15 17:25:55      -49.780714        1.1936
BFGS:   16 17:25:55      -49.926329        0.9259
BFGS:   17 17:25:55      -50.032974        0.6266
BFGS:   18 17:25:55      -50.098369        0.3146
BFGS:   19 17:25:55      -50.116567        0.0484
BFGS:   20 17:25:55      -50.117139        0.0111
BFGS:   21 17:25:55      -50.117141        0.0022
BFGS:   22 17:25:55      -50.117141        0.0001
BFGS:   23 17:25:55      -50.117141        0.0000
BFGS:   24 17:25:55      -50.117141        0.0000
BFGS:   25 17:25:55      -50.117141        0.0000
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