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 00:13:42      -73.996401         0.527392
BFGS:    1 00:13:43      -74.008147         0.511865
BFGS:    2 00:13:43      -74.077077         0.406550
BFGS:    3 00:13:44      -74.129909         0.297191
BFGS:    4 00:13:44      -74.166026         0.183653
BFGS:    5 00:13:45      -74.184789         0.065796
BFGS:    6 00:13:45      -74.187473         0.001932
BFGS:    7 00:13:46      -74.187476         0.000020
BFGS:    8 00:13:46      -74.187476         0.000000
Minimization converged after 8 steps.
Maximum force component: 4.685086808993066e-31 eV/Angstrom
Maximum stress component: 4.682958634972086e-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]
 [3.55525381e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [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 3.55525381e-49 0.00000000e+00]
 [1.18508460e-49 5.00000000e-01 0.00000000e+00]
 [2.96271151e-50 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.773661753235204, -1.1076605502113203e-32, 2.921900531599311e-32], [-1.0259009644900625e-32, 5.773661753235204, 1.7127788575410896e-17], [-1.0065178559961076e-33, 1.712778857541093e-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]
 [ 1.15644548e-31  5.33744067e-32 -1.18609793e-32]
 [-5.93048963e-32 -4.44786722e-32 -3.36555287e-31]
 [ 1.00818324e-31  1.77914689e-31 -1.48262241e-32]
 [-1.23057660e-31 -3.26176930e-32 -6.22701411e-32]
 [ 1.66053710e-31  1.86810423e-31  4.68508681e-31]
 [-1.48262241e-32 -5.63396515e-32 -1.30470772e-31]
 [-9.78530789e-32 -1.85327801e-31  1.70501577e-31]
 [ 2.52045809e-31  2.19428116e-31  2.52045809e-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  8.72700955e-26
 -1.54065906e-35 -7.92220321e-52]
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