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 18:15:20      -12.223088        30.440323
BFGS:    1 18:15:20      -18.714411        21.149417
BFGS:    2 18:15:20      -19.643543         3.370510
BFGS:    3 18:15:20      -19.956839         2.858739
BFGS:    4 18:15:21      -20.063931         0.612398
BFGS:    5 18:15:21      -20.069147         0.550443
BFGS:    6 18:15:21      -20.070591         0.477497
BFGS:    7 18:15:21      -20.071320         0.035002
BFGS:    8 18:15:21      -20.071332         0.026226
BFGS:    9 18:15:21      -20.071333         0.003513
BFGS:   10 18:15:21      -20.071333         0.000109
BFGS:   11 18:15:21      -20.071333         0.000001
BFGS:   12 18:15:21      -20.071333         0.000000
BFGS:   13 18:15:21      -20.071333         0.000000
Minimization converged after 13 steps.
Maximum force component: 6.317398609442804e-10 eV/Angstrom
Maximum stress component: 3.1290683881095433e-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([[2.5310697822679074, 8.332078996250946e-35, 1.4667978758233883e-32], [-8.080159938088585e-35, 2.531069782267907, -1.5458895157261157e-17], [-1.029538756378526e-32, -3.0438186358219804e-17, 4.956966975756397]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.55989219e-32  3.87918978e-27 -6.31739861e-10]
 [-1.43802561e-32 -3.87919075e-27  6.31739861e-10]]
stress =  [-3.12906839e-11 -3.12906839e-11  2.75658063e-11 -1.85751832e-26
 -2.84583643e-43  1.56622895e-58]
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