element(s):
['Fe', 'Si']
AFLOW prototype label:
A11B5_cP16_221_cg_abd
Parameter names:
['a', 'x5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8908', '0.7530252']
model name:
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Fe', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.        0.5       0.5      ]
 [0.7530252 0.7530252 0.7530252]
 [0.        0.        0.       ]
 [0.5       0.5       0.5      ]
 [0.5       0.        0.       ]]
spacegroup =  221
cell =  [[5.8908, 0, 0], [0, 5.8908, 0], [0, 0, 5.8908]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:16:47      -69.373617         1.282029
BFGS:    1 11:16:47      -69.446347         1.249481
BFGS:    2 11:16:47      -69.631825         1.156793
BFGS:    3 11:16:47      -69.799668         1.059194
BFGS:    4 11:16:47      -69.950441         0.956833
BFGS:    5 11:16:47      -70.084376         0.849781
BFGS:    6 11:16:47      -70.201465         0.738056
BFGS:    7 11:16:47      -70.301520         0.621636
BFGS:    8 11:16:47      -70.384205         0.500456
BFGS:    9 11:16:47      -70.449051         0.374417
BFGS:   10 11:16:47      -70.495460         0.243345
BFGS:   11 11:16:47      -70.522694         0.112969
BFGS:   12 11:16:47      -70.530164         0.066528
BFGS:   13 11:16:47      -70.530621         0.047935
BFGS:   14 11:16:48      -70.531137         0.000124
BFGS:   15 11:16:48      -70.531137         0.000000
BFGS:   16 11:16:48      -70.531137         0.000000
Minimization converged after 16 steps.
Maximum force component: 1.045790773134918e-10 eV/Angstrom
Maximum stress component: 3.541284146282327e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.41904461e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50990850e-01 7.50990850e-01 7.50990850e-01]
 [2.49009150e-01 2.49009150e-01 7.50990850e-01]
 [2.49009150e-01 7.50990850e-01 2.49009150e-01]
 [7.50990850e-01 2.49009150e-01 2.49009150e-01]
 [7.50990850e-01 7.50990850e-01 2.49009150e-01]
 [2.49009150e-01 2.49009150e-01 2.49009150e-01]
 [7.50990850e-01 2.49009150e-01 7.50990850e-01]
 [2.49009150e-01 7.50990850e-01 7.50990850e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 4.81307848e-49]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [4.81307848e-49 8.12856692e-34 5.00000000e-01]]
cellpar =  Cell([[5.686404396120842, 2.379004015324902e-33, -2.7061922879085177e-32], [-2.4228332977705046e-32, 5.686404396120842, 1.6750445732643402e-17], [3.000817873405304e-32, 1.6750445732643384e-17, 5.686404396120842]])
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]
 [-1.04579077e-10 -1.04579077e-10 -1.04579077e-10]
 [ 1.04579077e-10  1.04579077e-10 -1.04579077e-10]
 [ 1.04579077e-10 -1.04579077e-10  1.04579077e-10]
 [-1.04579077e-10  1.04579077e-10  1.04579077e-10]
 [-1.04579077e-10 -1.04579077e-10  1.04579077e-10]
 [ 1.04579077e-10  1.04579077e-10  1.04579077e-10]
 [-1.04579077e-10  1.04579077e-10 -1.04579077e-10]
 [ 1.04579077e-10 -1.04579077e-10 -1.04579077e-10]
 [ 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]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-3.54128415e-12 -3.54128415e-12 -3.54128415e-12  2.91782152e-28
  9.48602704e-36 -1.26128519e-52]
energy per atom =  -4.40819609304815
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0