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_001
==== 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 12:36:58      -68.392612         0.999359
BFGS:    1 12:36:59      -68.434814         0.971310
BFGS:    2 12:37:00      -68.573013         0.870736
BFGS:    3 12:37:00      -68.695850         0.766454
BFGS:    4 12:37:01      -68.802759         0.658366
BFGS:    5 12:37:01      -68.893164         0.546372
BFGS:    6 12:37:02      -68.966471         0.430372
BFGS:    7 12:37:02      -69.022070         0.310259
BFGS:    8 12:37:03      -69.059337         0.185920
BFGS:    9 12:37:03      -69.077626         0.057190
BFGS:   10 12:37:04      -69.079489         0.001442
BFGS:   11 12:37:05      -69.079490         0.000011
BFGS:   12 12:37:05      -69.079490         0.000000
Minimization converged after 12 steps.
Maximum force component: 2.2131033676858076e-30 eV/Angstrom
Maximum stress component: 1.6938096949401077e-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 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 6.83196382e-68 6.00205558e-50]
 [3.00102779e-50 5.00000000e-01 6.75771381e-35]
 [1.05035973e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.699945269666601, -3.778319860252093e-32, -2.048325568426173e-33], [-3.0385354693376705e-33, 5.699945269666601, -6.4880805203639185e-18], [-1.1979183610187347e-33, -6.488080520363923e-18, 5.699945269666601]])
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]
 [ 1.93207437e-31  8.84070393e-31  1.02458489e-30]
 [ 1.11826123e-30 -7.84539289e-31 -1.96134822e-31]
 [ 4.09833957e-31  8.48941768e-31 -2.21310337e-30]
 [ 1.06556829e-30 -5.21074602e-31  5.85477081e-31]
 [-7.55265435e-31  1.26463050e-30  2.75174228e-31]
 [ 2.16626520e-31 -4.85945978e-31 -2.00233162e-30]
 [ 5.85477081e-32 -8.48941768e-31  1.45198316e-30]
 [-7.49410664e-31  9.13344247e-31 -1.27634004e-30]
 [ 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 =  [ 1.69380969e-10  1.69380969e-10  1.69380969e-10 -2.48902606e-27
  8.21998813e-34 -1.10029384e-50]
energy per atom =  -4.317468131310703
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0