element(s):
['Mg', 'Si']
AFLOW prototype label:
A2B_cF24_227_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.9016']
model name:
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg', 'Si']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[7.9016, 0, 0], [0, 7.9016, 0], [0, 0, 7.9016]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:16:42      -54.225827         0.021302
BFGS:    1 17:16:43      -54.225846         0.020999
BFGS:    2 17:16:43      -54.226508         0.000104
BFGS:    3 17:16:44      -54.226508         0.000000
BFGS:    4 17:16:44      -54.226508         0.000000
Minimization converged after 4 steps.
Maximum force component: 2.3516205374387713e-31 eV/Angstrom
Maximum stress component: 5.732902504488119e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[1.25000000e-01 1.25000000e-01 1.25000000e-01]
 [8.75000000e-01 3.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 8.75000000e-01]
 [6.25000000e-01 8.75000000e-01 3.75000000e-01]
 [3.75000000e-01 8.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 3.75000000e-01]
 [6.25000000e-01 3.75000000e-01 8.75000000e-01]
 [1.25000000e-01 6.25000000e-01 6.25000000e-01]
 [8.75000000e-01 8.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 3.75000000e-01]
 [3.75000000e-01 3.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 8.75000000e-01]
 [6.25000000e-01 1.25000000e-01 6.25000000e-01]
 [1.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 6.25000000e-01 1.25000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.21975563e-33 1.15648298e-34]
 [5.77778983e-34 1.15555803e-33 5.00000000e-01]
 [7.06174313e-34 5.00000000e-01 0.00000000e+00]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[7.89459822996292, -8.945031471315757e-35, 2.0581615256600746e-37], [-1.817619590709154e-43, 7.89459822996292, -1.4835115238144796e-23], [2.2404989704889293e-34, -1.4835115238291172e-23, 7.89459822996292]])
forces =  [[-6.48722907e-32 -8.06152245e-32 -3.24361453e-32]
 [ 1.62180727e-32  3.24361453e-32  4.05451817e-32]
 [-3.24361453e-32  1.62180727e-32 -1.62180727e-32]
 [ 6.48722907e-32 -2.35162054e-31 -4.81474032e-32]
 [ 1.62180727e-32 -1.45962654e-31 -5.47359953e-32]
 [-1.38081410e-66 -5.67632544e-32 -4.86542180e-32]
 [-5.67632544e-32 -2.63543681e-32  1.94616872e-31]
 [-5.67632544e-32 -6.48722907e-32  3.64906635e-32]
 [-1.62180727e-32 -1.37853618e-31  2.59047294e-55]
 [-5.75339211e-68  1.31771840e-32 -2.02725908e-33]
 [-1.62180727e-31  5.67632544e-32  3.24361453e-32]
 [-8.10903634e-32 -1.06431102e-32  1.99999749e-56]
 [-4.86542180e-32 -7.12074753e-32  4.45996998e-32]
 [ 1.45962654e-31  9.32539179e-32  4.86542180e-32]
 [-2.43271090e-32  3.24361453e-32 -7.39949566e-32]
 [-7.29813270e-32 -8.10903634e-32 -1.21635545e-32]
 [ 2.02725908e-32 -8.10903634e-33  8.10903634e-33]
 [-2.22998499e-32  3.24361453e-32  3.24361453e-32]
 [-4.86542180e-32  8.10903634e-32  2.43271090e-32]
 [-5.67632544e-32 -8.10903634e-33  1.21635545e-32]
 [ 1.62180727e-32 -2.43271090e-32  3.24361453e-32]
 [-2.30135683e-67 -1.62180727e-32 -8.10903634e-33]
 [ 5.67632544e-32 -5.67632544e-32 -2.43271090e-32]
 [ 3.24361453e-32 -3.04761522e-56  1.62180727e-32]]
stress =  [ 5.73290250e-13  5.73290250e-13  5.73290250e-13 -2.35478662e-29
  3.29616652e-35 -5.12991861e-51]
energy per atom =  -2.2594378237068065
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0