element(s):
['Mg', 'Pb']
AFLOW prototype label:
A2B_cF12_225_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.9091']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg', 'Pb']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[6.9091, 0, 0], [0, 6.9091, 0], [0, 0, 6.9091]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:46:50      -12.187708        1.1956
BFGS:    1 14:46:50      -12.248893        1.1924
BFGS:    2 14:46:50      -12.426932        1.1810
BFGS:    3 14:46:50      -12.603038        1.1666
BFGS:    4 14:46:50      -12.776737        1.1488
BFGS:    5 14:46:50      -12.947511        1.1275
BFGS:    6 14:46:50      -13.114798        1.1023
BFGS:    7 14:46:50      -13.277985        1.0728
BFGS:    8 14:46:50      -13.436416        1.0402
BFGS:    9 14:46:50      -13.589579        1.0011
BFGS:   10 14:46:50      -13.736462        0.9564
BFGS:   11 14:46:51      -13.876207        0.9058
BFGS:   12 14:46:51      -14.007880        0.8487
BFGS:   13 14:46:51      -14.131486        0.7918
BFGS:   14 14:46:51      -14.244994        0.7203
BFGS:   15 14:46:51      -14.347156        0.6404
BFGS:   16 14:46:51      -14.436679        0.5516
BFGS:   17 14:46:51      -14.512158        0.4531
BFGS:   18 14:46:51      -14.572071        0.3439
BFGS:   19 14:46:51      -14.614768        0.2234
BFGS:   20 14:46:51      -14.638482        0.0917
BFGS:   21 14:46:51      -14.642871        0.0088
BFGS:   22 14:46:51      -14.642910        0.0003
BFGS:   23 14:46:51      -14.642910        0.0000
BFGS:   24 14:46:51      -14.642910        0.0000
Minimization converged after 24 steps.
Maximum force component: 9.935871765057428e-31 eV/Angstrom
Maximum stress component: 2.855096655539883e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Pb', 'Pb', 'Pb', 'Pb']
basis =  [[2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [1.91891838e-64 1.00000000e+00 1.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.00000000e+00]]
cellpar =  Cell([[6.3339466853913535, -2.552221047844912e-32, -5.164185484476144e-33], [-3.650337841458851e-32, 6.3339466853913535, 1.0554639212725898e-17], [-2.9518234029390728e-33, 1.0554639212725884e-17, 6.3339466853913535]])
forces =  [[ 7.80719206e-32  6.24575364e-31  6.37587351e-31]
 [ 1.84607562e-31 -5.07467484e-31 -8.94574090e-31]
 [-1.60616712e-31  4.68431523e-31  5.46503444e-31]
 [ 3.38311656e-31 -6.61984826e-31 -5.07467484e-31]
 [ 9.10839073e-32  8.06743179e-31  5.85539404e-31]
 [-2.43974752e-32 -3.70841623e-31 -9.36863047e-31]
 [ 3.90359603e-32 -5.51382939e-31 -9.93587177e-31]
 [ 2.09005037e-31  8.19755166e-31  9.18158316e-31]
 [ 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]]
stress =  [-2.85509666e-12 -2.85509666e-12 -2.85509666e-12  1.78778400e-29
  2.56029735e-35  2.99663764e-53]
energy per atom =  -1.2202424710446407
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0