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 13:49:54      -12.223088       30.4403
BFGS:    1 13:49:54      -18.714411       21.1494
BFGS:    2 13:49:54      -19.643543        3.3705
BFGS:    3 13:49:54      -19.956839        2.8587
BFGS:    4 13:49:54      -20.063931        0.6124
BFGS:    5 13:49:54      -20.069147        0.5504
BFGS:    6 13:49:54      -20.070591        0.4775
BFGS:    7 13:49:55      -20.071320        0.0350
BFGS:    8 13:49:55      -20.071332        0.0262
BFGS:    9 13:49:55      -20.071333        0.0035
BFGS:   10 13:49:55      -20.071333        0.0001
BFGS:   11 13:49:55      -20.071333        0.0000
BFGS:   12 13:49:55      -20.071333        0.0000
BFGS:   13 13:49:55      -20.071333        0.0000
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