element(s):
['Fe', 'Si']
AFLOW prototype label:
A3B_cF16_225_ac_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8596']
model name:
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Fe', 'Si']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[5.8596, 0, 0], [0, 5.8596, 0], [0, 0, 5.8596]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:19:16      -73.996401         0.527392
BFGS:    1 09:19:16      -74.008147         0.511865
BFGS:    2 09:19:16      -74.077077         0.406550
BFGS:    3 09:19:16      -74.129909         0.297191
BFGS:    4 09:19:16      -74.166026         0.183653
BFGS:    5 09:19:16      -74.184789         0.065796
BFGS:    6 09:19:16      -74.187473         0.001932
BFGS:    7 09:19:16      -74.187476         0.000020
BFGS:    8 09:19:17      -74.187476         0.000000
Minimization converged after 8 steps.
Maximum force component: 4.121690293987571e-31 eV/Angstrom
Maximum stress component: 4.682958634972083e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.07389806e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.66857329e-34]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [3.25898266e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.773661753235204, -6.973402807968873e-33, 4.278937909816028e-32], [-2.06060147914457e-33, 5.773661753235204, 1.886138529473925e-17], [-1.3203389704524277e-33, 1.886138529473927e-17, 5.773661753235204]])
forces =  [[ 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]
 [ 1.27505527e-31 -3.64725112e-31  3.26176930e-32]
 [ 1.36401262e-31  2.72802523e-31 -2.38702208e-31]
 [ 1.00818324e-31 -4.12169029e-31 -8.89573445e-32]
 [ 1.20092415e-31  1.31953394e-31 -1.60123220e-31]
 [ 1.54192730e-31 -3.55829378e-32  1.42331751e-31]
 [-3.26176930e-32  1.33436017e-31 -2.07567137e-32]
 [-5.93048963e-33  7.56137428e-32  2.96524482e-32]
 [ 5.63396515e-32 -1.74949444e-31  1.36401262e-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 =  [ 4.68295863e-10  4.68295863e-10  4.68295863e-10  1.22783839e-25
 -2.15692269e-34 -2.95569848e-50]
energy per atom =  -4.636717220333873
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0