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:
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
==== 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 13:53:57      -72.298044        0.7375
BFGS:    1 13:53:57      -72.364194        0.6680
BFGS:    2 13:53:57      -72.589062        0.3065
BFGS:    3 13:53:57      -72.644518        0.1004
BFGS:    4 13:53:57      -72.647575        0.1135
BFGS:    5 13:53:57      -72.648232        0.1102
BFGS:    6 13:53:57      -72.657249        0.0037
BFGS:    7 13:53:57      -72.657258        0.0003
BFGS:    8 13:53:57      -72.657258        0.0000
BFGS:    9 13:53:57      -72.657258        0.0000
Minimization converged after 9 steps.
Maximum force component: 2.762921584228974e-10 eV/Angstrom
Maximum stress component: 4.75992802954142e-10 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 1.31703768e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.31703768e-34]
 [7.61879539e-01 7.61879539e-01 7.61879539e-01]
 [2.38120461e-01 2.38120461e-01 7.61879539e-01]
 [2.38120461e-01 7.61879539e-01 2.38120461e-01]
 [7.61879539e-01 2.38120461e-01 2.38120461e-01]
 [7.61879539e-01 7.61879539e-01 2.38120461e-01]
 [2.38120461e-01 2.38120461e-01 2.38120461e-01]
 [7.61879539e-01 2.38120461e-01 7.61879539e-01]
 [2.38120461e-01 7.61879539e-01 7.61879539e-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 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 1.31703768e-34]
 [9.35811559e-49 2.63407537e-34 5.00000000e-01]]
cellpar =  Cell([[5.849278170202128, -3.2270825850246315e-32, -3.677519009122144e-32], [-1.7435024623305023e-32, 5.849278170202128, 9.71373128052939e-18], [3.969450962497509e-32, 9.713731280529362e-18, 5.849278170202128]])
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]
 [-2.76292158e-10 -2.76292158e-10 -2.76292158e-10]
 [ 2.76292158e-10  2.76292158e-10 -2.76292158e-10]
 [ 2.76292158e-10 -2.76292158e-10  2.76292158e-10]
 [-2.76292158e-10  2.76292158e-10  2.76292158e-10]
 [-2.76292158e-10 -2.76292158e-10  2.76292158e-10]
 [ 2.76292158e-10  2.76292158e-10  2.76292158e-10]
 [-2.76292158e-10  2.76292158e-10 -2.76292158e-10]
 [ 2.76292158e-10 -2.76292158e-10 -2.76292158e-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 =  [-4.75992803e-10 -4.75992803e-10 -4.75992803e-10 -1.20909598e-26
  1.80129944e-34  5.32732053e-51]
energy per atom =  -4.54107864784143
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0