element(s):
['Mg', 'Si']
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:
['6.3505']
model name:
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg', 'Si']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[6.3505, 0, 0], [0, 6.3505, 0], [0, 0, 6.3505]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:26:46      -29.833255         0.578722
BFGS:    1 15:26:46      -29.847396         0.561538
BFGS:    2 15:26:46      -29.923954         0.459891
BFGS:    3 15:26:46      -29.985554         0.362072
BFGS:    4 15:26:46      -30.032762         0.267971
BFGS:    5 15:26:46      -30.066126         0.177477
BFGS:    6 15:26:46      -30.086180         0.090486
BFGS:    7 15:26:46      -30.093442         0.006894
BFGS:    8 15:26:46      -30.093485         0.000149
BFGS:    9 15:26:47      -30.093485         0.000000
BFGS:   10 15:26:47      -30.093485         0.000000
Minimization converged after 10 steps.
Maximum force component: 7.7804455093863405e-31 eV/Angstrom
Maximum stress component: 4.1298459679280246e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]
 [0.25 0.25 0.75]
 [0.75 0.75 0.75]
 [0.25 0.75 0.25]
 [0.75 0.25 0.25]
 [0.   1.   1.  ]
 [0.   0.5  0.5 ]
 [0.5  1.   0.5 ]
 [0.5  0.5  1.  ]]
cellpar =  Cell([[6.515868189740017, 2.0822723639799512e-33, -1.302635949968933e-32], [6.291694846125847e-33, 6.515868189740017, -1.1494464296736321e-17], [-2.3086872656306266e-33, -1.1494464296736321e-17, 6.515868189740017]])
forces =  [[ 2.47635685e-31 -1.80707122e-31 -7.92423735e-32]
 [ 3.58067815e-31 -7.52946340e-32  6.93965543e-31]
 [ 6.35821353e-32 -1.47242840e-31 -3.21257105e-31]
 [ 2.20864260e-31 -1.03739273e-31  3.48028530e-31]
 [-1.20471414e-31 -1.40549983e-31 -7.78044551e-31]
 [ 1.80707122e-31  1.79033907e-31  2.29230330e-31]
 [ 2.00785691e-32  9.36999889e-32  3.26276747e-31]
 [-1.40549983e-31  1.33857127e-32 -3.12891034e-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 =  [-4.12984597e-13 -4.12984597e-13 -4.12984597e-13 -6.27672965e-29
 -4.53623876e-35  7.68257813e-51]
energy per atom =  -2.5077904395736095
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0