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_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_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 10:24:37      -68.392612         0.999359
BFGS:    1 10:24:37      -68.434814         0.971310
BFGS:    2 10:24:38      -68.573013         0.870736
BFGS:    3 10:24:38      -68.695850         0.766454
BFGS:    4 10:24:38      -68.802759         0.658366
BFGS:    5 10:24:39      -68.893164         0.546372
BFGS:    6 10:24:39      -68.966471         0.430372
BFGS:    7 10:24:39      -69.022070         0.310259
BFGS:    8 10:24:40      -69.059337         0.185920
BFGS:    9 10:24:40      -69.077626         0.057190
BFGS:   10 10:24:40      -69.079489         0.001442
BFGS:   11 10:24:41      -69.079490         0.000011
BFGS:   12 10:24:41      -69.079490         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.4929665575658225e-30 eV/Angstrom
Maximum stress component: 1.6938026978680818e-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]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.26707134e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.22357113e-36]
 [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 4.80164446e-49 7.50256947e-51]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [6.56474829e-51 2.53414268e-35 5.00000000e-01]]
cellpar =  Cell([[5.6999452696666, -2.571857269919136e-32, -7.466215272813558e-34], [-2.956968828233477e-32, 5.6999452696666, 2.6427126335273754e-19], [9.042681397218342e-35, 2.6427126335273663e-19, 5.6999452696666]])
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]
 [ 1.46369270e-31  4.09833957e-32 -6.14750935e-31]
 [-5.91331852e-31 -9.25053789e-31 -1.10655168e-30]
 [ 3.39576707e-31 -1.22950187e-31 -3.86414874e-31]
 [-8.31377456e-31 -5.32784144e-31  7.49410664e-31]
 [ 5.85477081e-31  1.75643124e-31  8.14348703e-51]
 [ 6.49879560e-31  1.44612839e-30 -1.58078812e-31]
 [ 5.03510290e-31  1.49296656e-30 -4.68381665e-32]
 [ 9.25053789e-31  4.27398269e-31 -7.37701123e-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 =  [ 1.69380270e-10  1.69380270e-10  1.69380270e-10 -2.82793450e-29
 -6.32306779e-35 -5.44881298e-53]
energy per atom =  -4.317468131310701
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0