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 16:09:02      -12.187708         1.195640
BFGS:    1 16:09:02      -12.248893         1.192390
BFGS:    2 16:09:02      -12.426932         1.180987
BFGS:    3 16:09:02      -12.603038         1.166564
BFGS:    4 16:09:02      -12.776737         1.148843
BFGS:    5 16:09:02      -12.947511         1.127525
BFGS:    6 16:09:02      -13.114798         1.102289
BFGS:    7 16:09:02      -13.277985         1.072785
BFGS:    8 16:09:02      -13.436416         1.040221
BFGS:    9 16:09:02      -13.589579         1.001067
BFGS:   10 16:09:02      -13.736462         0.956422
BFGS:   11 16:09:02      -13.876207         0.905808
BFGS:   12 16:09:02      -14.007880         0.848712
BFGS:   13 16:09:02      -14.131486         0.791827
BFGS:   14 16:09:02      -14.244994         0.720278
BFGS:   15 16:09:02      -14.347156         0.640447
BFGS:   16 16:09:02      -14.436679         0.551631
BFGS:   17 16:09:02      -14.512158         0.453069
BFGS:   18 16:09:02      -14.572071         0.343941
BFGS:   19 16:09:02      -14.614768         0.223357
BFGS:   20 16:09:02      -14.638482         0.091696
BFGS:   21 16:09:02      -14.642871         0.008787
BFGS:   22 16:09:02      -14.642910         0.000270
BFGS:   23 16:09:03      -14.642910         0.000001
BFGS:   24 16:09:03      -14.642910         0.000000
Minimization converged after 24 steps.
Maximum force component: 9.628870202437484e-31 eV/Angstrom
Maximum stress component: 2.85509694680988e-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]
 [4.79729595e-65 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, -9.393086415124126e-33, -1.4864749097968428e-32], [-2.1139417822413656e-32, 6.3339466853913535, 8.862966210199024e-19], [1.490510456878035e-32, 8.862966210198826e-19, 6.3339466853913535]])
forces =  [[-3.90359603e-32  8.32767153e-31  4.21263071e-31]
 [ 5.61955178e-31 -6.65237823e-31 -7.64454222e-31]
 [-4.47287045e-33  9.23851060e-31  3.25299669e-31]
 [ 5.33491457e-31 -6.24575364e-31  2.47227748e-31]
 [ 2.60239735e-32  9.62887020e-31  8.26261159e-31]
 [ 1.05722392e-31 -7.35990501e-31 -1.69155828e-31]
 [-6.50599338e-32 -5.79033411e-31 -4.60705656e-31]
 [-9.02706581e-32  6.89635298e-31  1.91520180e-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 =  [-2.85509695e-12 -2.85509695e-12 -2.85509695e-12 -1.49599456e-31
  1.40816354e-33  4.06624860e-52]
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