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 16:52:13      -54.225827         0.021302
BFGS:    1 16:52:13      -54.225846         0.020999
BFGS:    2 16:52:14      -54.226508         0.000104
BFGS:    3 16:52:15      -54.226508         0.000000
BFGS:    4 16:52:15      -54.226508         0.000000
Minimization converged after 4 steps.
Maximum force component: 2.3516205374387717e-31 eV/Angstrom
Maximum stress component: 5.733104712699747e-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 0.00000000e+00 0.00000000e+00]
 [1.60494162e-33 5.78250557e-34 5.00000000e-01]
 [4.49383654e-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([[7.894598229962921, 9.95697115118137e-40, -1.5635427527914443e-33], [6.335514687427223e-34, 7.894598229962921, -2.4497970299717112e-20], [-3.930803360554863e-34, -2.4497970299723973e-20, 7.894598229962921]])
forces =  [[ 8.10903634e-32 -6.48722907e-32 -3.24361453e-32]
 [-8.31176224e-32  2.22998499e-31 -1.19101471e-32]
 [-4.05451817e-32 -1.49003543e-31  3.64906635e-32]
 [-5.67632544e-32 -7.29813270e-32  4.86542180e-32]
 [ 6.08177725e-32  3.24361453e-32 -1.06937917e-31]
 [ 1.54071690e-31  2.22998499e-32 -1.74344281e-31]
 [-9.32539179e-32  3.24361453e-32  2.43271090e-32]
 [ 3.24361453e-32 -5.27087362e-32 -1.03897028e-31]
 [-2.43271090e-32  1.54071690e-31  2.43271090e-32]
 [ 1.84480577e-31  7.47551787e-33 -8.10903634e-32]
 [ 4.86542180e-32 -1.45962654e-31  4.52941196e-52]
 [ 1.52044431e-32 -8.51448815e-32  4.25724408e-32]
 [ 7.29813270e-32 -1.62180727e-32 -8.10903634e-32]
 [-9.32539179e-32 -4.45996998e-32  4.05451817e-32]
 [ 4.05451817e-33 -9.32539179e-32 -4.05451817e-32]
 [ 3.24361453e-32 -3.64906635e-32 -7.29813270e-32]
 [ 8.10903634e-33  2.35162054e-31 -2.43271090e-32]
 [ 4.05451817e-32 -3.24361453e-32 -5.06814771e-32]
 [-1.29744581e-31 -4.86542180e-32  8.10903634e-32]
 [ 3.24361453e-32  1.38398699e-52 -4.45996998e-32]
 [ 4.05451817e-32 -1.29744581e-31  9.93356951e-32]
 [ 9.51856804e-66  6.89268089e-32 -8.00767338e-32]
 [-9.73084360e-32  7.29813270e-32  2.02725908e-32]
 [-2.77583236e-66 -1.72998373e-52  5.57496248e-32]]
stress =  [ 5.73310471e-13  5.73310471e-13  5.73310471e-13 -6.05445839e-29
 -3.29616652e-35  1.27057132e-50]
energy per atom =  -2.2594378237068073
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0