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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 12:35:20     -180.307181       10.6272
BFGS:    1 12:35:20     -182.135132       10.4329
BFGS:    2 12:35:20     -183.863096       10.2060
BFGS:    3 12:35:20     -185.498535        9.9288
BFGS:    4 12:35:20     -187.048091        9.6158
BFGS:    5 12:35:20     -188.517211        9.2576
BFGS:    6 12:35:20     -189.910347        8.8690
BFGS:    7 12:35:20     -191.231445        8.4641
BFGS:    8 12:35:21     -192.478230        8.0033
BFGS:    9 12:35:21     -193.647853        7.5019
BFGS:   10 12:35:21     -194.737137        6.9700
BFGS:   11 12:35:21     -195.740507        6.3835
BFGS:   12 12:35:21     -196.651884        5.7516
BFGS:   13 12:35:21     -197.464247        5.0696
BFGS:   14 12:35:21     -198.170124        4.3324
BFGS:   15 12:35:21     -198.761565        3.5421
BFGS:   16 12:35:21     -199.229583        2.6881
BFGS:   17 12:35:21     -199.566761        1.7845
BFGS:   18 12:35:21     -199.761419        0.7993
BFGS:   19 12:35:21     -199.807355        0.0525
BFGS:   20 12:35:21     -199.807546        0.0014
BFGS:   21 12:35:21     -199.807546        0.0000
BFGS:   22 12:35:21     -199.807546        0.0000
BFGS:   23 12:35:21     -199.807546        0.0000
Minimization converged after 23 steps.
Maximum force component: 2.122387407671681e-10 eV/Angstrom
Maximum stress component: 7.652744606607241e-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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [7.57622909e-01 7.57622909e-01 7.57622909e-01]
 [2.42377091e-01 2.42377091e-01 7.57622909e-01]
 [2.42377091e-01 7.57622909e-01 2.42377091e-01]
 [7.57622909e-01 2.42377091e-01 2.42377091e-01]
 [7.57622909e-01 7.57622909e-01 2.42377091e-01]
 [2.42377091e-01 2.42377091e-01 2.42377091e-01]
 [7.57622909e-01 2.42377091e-01 7.57622909e-01]
 [2.42377091e-01 7.57622909e-01 7.57622909e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.93544831e-49 1.23386208e-49]
 [9.87089662e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.5454153132994595, 2.7447312673629354e-32, 5.7720038725246745e-33], [1.9855911215246832e-32, 5.5454153132994595, -9.115983599725234e-18], [-6.048711139039604e-33, -9.115983599725216e-18, 5.5454153132994595]])
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]
 [ 2.12238741e-10  2.12238741e-10  2.12238741e-10]
 [-2.12238741e-10 -2.12238741e-10  2.12238741e-10]
 [-2.12238741e-10  2.12238741e-10 -2.12238741e-10]
 [ 2.12238741e-10 -2.12238741e-10 -2.12238741e-10]
 [ 2.12238741e-10  2.12238741e-10 -2.12238741e-10]
 [-2.12238741e-10 -2.12238741e-10 -2.12238741e-10]
 [ 2.12238741e-10 -2.12238741e-10  2.12238741e-10]
 [-2.12238741e-10  2.12238741e-10  2.12238741e-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 =  [-7.65274461e-12 -7.65274461e-12 -7.65274461e-12  1.02385450e-29
  2.13772105e-33 -6.06669016e-51]
energy per atom =  -12.487971651844779
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0