element(s):
['Fe', 'Si']
AFLOW prototype label:
AB2_tP3_123_a_h
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.6773', '1.9190602', '0.27184568']
model name:
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Si']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.5        0.5        0.27184568]]
spacegroup =  123
cell =  [[2.6773, 0, 0], [0, 2.6773, 0], [0, 0, 5.1379]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:23:18      -12.223088        30.440323
BFGS:    1 16:23:18      -18.714411        21.149417
BFGS:    2 16:23:18      -19.643543         3.370510
BFGS:    3 16:23:18      -19.956839         2.858739
BFGS:    4 16:23:18      -20.063931         0.612398
BFGS:    5 16:23:18      -20.069147         0.550443
BFGS:    6 16:23:19      -20.070591         0.477497
BFGS:    7 16:23:19      -20.071320         0.035002
BFGS:    8 16:23:19      -20.071332         0.026226
BFGS:    9 16:23:19      -20.071333         0.003513
BFGS:   10 16:23:19      -20.071333         0.000109
BFGS:   11 16:23:19      -20.071333         0.000001
BFGS:   12 16:23:19      -20.071333         0.000000
BFGS:   13 16:23:19      -20.071333         0.000000
Minimization converged after 13 steps.
Maximum force component: 6.311041576487205e-10 eV/Angstrom
Maximum stress component: 3.126766806842086e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Si', 'Si']
basis =  [[0.         0.         0.        ]
 [0.5        0.5        0.27037753]
 [0.5        0.5        0.72962247]]
cellpar =  Cell([[2.531069782267907, 8.692069623766252e-36, -1.5249314013638126e-32], [-6.01767472024627e-36, 2.5310697822679074, -1.8882950276103813e-17], [8.21996708829747e-33, -3.679323471700448e-17, 4.956966975756394]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 9.35935312e-32  4.68445176e-27 -6.31104158e-10]
 [ 3.11978437e-32 -4.68445176e-27  6.31104158e-10]]
stress =  [-3.12676681e-11 -3.12676681e-11  2.75444799e-11  5.80854481e-27
  4.91213529e-34  1.02273015e-49]
energy per atom =  -6.690444417301824
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0