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:
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
==== 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 16:06:41      -73.996401        0.5274
BFGS:    1 16:06:42      -74.008147        0.5119
BFGS:    2 16:06:43      -74.077077        0.4066
BFGS:    3 16:06:43      -74.129909        0.2972
BFGS:    4 16:06:44      -74.166026        0.1837
BFGS:    5 16:06:45      -74.184789        0.0658
BFGS:    6 16:06:46      -74.187473        0.0019
BFGS:    7 16:06:46      -74.187476        0.0000
BFGS:    8 16:06:47      -74.187476        0.0000
Minimization converged after 8 steps.
Maximum force component: 7.857898761918775e-32 eV/Angstrom
Maximum stress component: 4.682963897839301e-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]
 [5.92542302e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.67143323e-35 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 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [1.18508460e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.7736617532352215, 1.7900270931943393e-32, -5.9096479554505153e-33], [3.598685674199844e-33, 5.7736617532352215, 6.9344694405617735e-18], [-6.227486606587547e-33, 6.934469440561782e-18, 5.7736617532352215]])
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]
 [-5.93048963e-33  2.52045809e-32 -5.58763320e-32]
 [-1.62161826e-33 -1.03783569e-32 -2.22393361e-32]
 [ 5.93048963e-33  5.93048963e-33  5.93048963e-32]
 [ 3.33590042e-33 -5.93048963e-33  1.92740913e-32]
 [ 6.06948548e-33  4.59612946e-32 -1.03783569e-32]
 [-6.67180084e-33 -1.48262241e-32  4.00308050e-32]
 [-1.77914689e-32 -2.96524482e-33 -7.85789876e-32]
 [ 1.48262241e-33  3.33590042e-32 -3.85481826e-32]
 [ 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 =  [ 4.68296390e-10  4.68296390e-10  4.68296390e-10 -6.14204153e-26
  1.10157123e-33  3.43110355e-50]
energy per atom =  -4.636717220333874
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0