element(s):
['Mg', 'Si']
AFLOW prototype label:
A2B_hP6_194_ac_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:
['4.6422', '1.3036707']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg', 'Mg', 'Si']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.25      ]
 [0.33333333 0.66666667 0.75      ]]
spacegroup =  194
cell =  [[4.6422, 0, 0], [-2.3211, 4.0202631294481, 0], [0, 0, 6.0519]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:19:43      -10.319618         2.700823
BFGS:    1 10:19:43      -10.623890         2.782761
BFGS:    2 10:19:44      -11.022017         2.890946
BFGS:    3 10:19:44      -11.423957         2.995717
BFGS:    4 10:19:44      -11.828152         3.098919
BFGS:    5 10:19:44      -12.231997         3.209684
BFGS:    6 10:19:44      -12.632881         3.306559
BFGS:    7 10:19:45      -13.028135         3.397164
BFGS:    8 10:19:45      -13.414755         3.480239
BFGS:    9 10:19:45      -13.750200         3.544998
BFGS:   10 10:19:46      -14.142546         3.612306
BFGS:   11 10:19:46      -14.530768         3.672062
BFGS:   12 10:19:46      -14.922803         3.716681
BFGS:   13 10:19:46      -15.310556         3.742482
BFGS:   14 10:19:47      -15.623547         3.731865
BFGS:   15 10:19:47      -15.922943         3.693454
BFGS:   16 10:19:47      -16.180752         3.627587
BFGS:   17 10:19:48      -16.414172         3.511207
BFGS:   18 10:19:48      -16.618256         3.345723
BFGS:   19 10:19:48      -16.798275         3.132149
BFGS:   20 10:19:49      -16.954438         2.847653
BFGS:   21 10:19:49      -17.088061         2.508208
BFGS:   22 10:19:49      -17.199241         2.060405
BFGS:   23 10:19:50      -17.286749         1.515557
BFGS:   24 10:19:50      -17.347040         0.841269
BFGS:   25 10:19:50      -17.373699         0.202861
BFGS:   26 10:19:51      -17.375435         0.113576
BFGS:   27 10:19:51      -17.376221         0.045582
BFGS:   28 10:19:52      -17.376285         0.017857
BFGS:   29 10:19:52      -17.376294         0.001180
BFGS:   30 10:19:52      -17.376294         0.000104
BFGS:   31 10:19:53      -17.376294         0.000003
BFGS:   32 10:19:53      -17.376294         0.000000
BFGS:   33 10:19:53      -17.376294         0.000000
Minimization converged after 33 steps.
Maximum force component: 7.996564485249456e-31 eV/Angstrom
Maximum stress component: 3.1777890807827225e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 1.90286117e-52 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 7.50000000e-01]
 [6.66666667e-01 3.33333333e-01 2.50000000e-01]]
cellpar =  Cell([[4.054739907796086, -9.748663760763807e-18, -6.183328771591563e-36], [-2.027369953898043, 3.511507765889982, 1.1554503590020423e-36], [3.212614875864123e-36, -5.219255140972479e-36, 4.811479967620695]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.99914112e-31  1.15420466e-31  1.97686898e-32]
 [ 5.99742336e-31 -3.46261399e-31 -1.97686898e-32]
 [ 7.99656449e-31 -4.61681866e-31  9.88434490e-33]
 [-4.33147243e-31  2.88551166e-31 -9.88434490e-33]]
stress =  [-2.13570683e-11 -2.13570683e-11  3.17778908e-11 -9.72717840e-34
  5.95030682e-47  2.57237507e-27]
energy per atom =  -2.896048970762504
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0