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 17:10:06      -29.833255         0.578722
BFGS:    1 17:10:06      -29.847396         0.561538
BFGS:    2 17:10:06      -29.923954         0.459891
BFGS:    3 17:10:07      -29.985554         0.362072
BFGS:    4 17:10:07      -30.032762         0.267971
BFGS:    5 17:10:07      -30.066126         0.177477
BFGS:    6 17:10:07      -30.086180         0.090486
BFGS:    7 17:10:07      -30.093442         0.006894
BFGS:    8 17:10:07      -30.093485         0.000149
BFGS:    9 17:10:07      -30.093485         0.000000
BFGS:   10 17:10:07      -30.093485         0.000000
Minimization converged after 10 steps.
Maximum force component: 9.18594534334e-31 eV/Angstrom
Maximum stress component: 4.1316829649095764e-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([[6.515868189740016, -2.074632982976448e-32, -2.287550893736179e-33], [-1.9600278169711975e-32, 6.515868189740016, 3.505854400348848e-18], [2.178480769600672e-33, 3.505854400348845e-18, 6.515868189740016]])
forces =  [[-1.07085702e-31  7.63822231e-31 -2.57674970e-31]
 [-2.82773181e-31 -8.26567759e-31 -2.17517831e-31]
 [-5.60526719e-32  8.24057938e-31  3.61414243e-31]
 [-2.44289257e-31 -9.18594534e-31  6.20762427e-31]
 [ 2.62694612e-31  8.32424009e-31  1.87399978e-31]
 [ 3.34642818e-33 -7.64658838e-31  3.78146384e-31]
 [ 4.35035663e-32 -8.16528475e-31 -2.74407110e-31]
 [ 3.33806211e-31  9.15248106e-31 -6.05703500e-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 =  [-4.13168296e-13 -4.13168296e-13 -4.13168296e-13 -1.90988186e-32
  4.23382284e-35  3.14439886e-53]
energy per atom =  -2.507790439573609
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0