element(s):
['Mn', 'Si']
AFLOW prototype label:
AB_cP8_198_a_a
Parameter names:
['a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.9953', '0.14652157', '0.84483513']
model name:
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mn', 'Si']
representative atom coordinates =  [[0.14652157 0.14652157 0.14652157]
 [0.84483513 0.84483513 0.84483513]]
spacegroup =  198
cell =  [[4.9953, 0, 0], [0, 4.9953, 0], [0, 0, 4.9953]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:24:23       17.550918        9.7037
BFGS:    1 15:24:23       16.058422        4.9931
BFGS:    2 15:24:23       15.413714        1.6127
BFGS:    3 15:24:23       15.342148        0.2620
BFGS:    4 15:24:23       15.339279        0.1384
BFGS:    5 15:24:23       15.338226        0.0665
BFGS:    6 15:24:23       15.338113        0.0069
BFGS:    7 15:24:23       15.338112        0.0006
BFGS:    8 15:24:23       15.338112        0.0001
BFGS:    9 15:24:23       15.338112        0.0000
BFGS:   10 15:24:23       15.338112        0.0000
BFGS:   11 15:24:23       15.338112        0.0000
Minimization converged after 11 steps.
Maximum force component: 1.5963156115248828e-10 eV/Angstrom
Maximum stress component: 1.9241654733048584e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mn', 'Mn', 'Mn', 'Mn', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.15757653 0.15757653 0.15757653]
 [0.34242347 0.84242347 0.65757653]
 [0.84242347 0.65757653 0.34242347]
 [0.65757653 0.34242347 0.84242347]
 [0.84499286 0.84499286 0.84499286]
 [0.65500714 0.15500714 0.34499286]
 [0.15500714 0.34499286 0.65500714]
 [0.34499286 0.65500714 0.15500714]]
cellpar =  Cell([4.955763629349311, 4.955763629349311, 4.955763629349311])
forces =  [[ 1.26852685e-10  1.26852685e-10  1.26852685e-10]
 [-1.26852685e-10 -1.26852685e-10  1.26852685e-10]
 [-1.26852685e-10  1.26852685e-10 -1.26852685e-10]
 [ 1.26852685e-10 -1.26852685e-10 -1.26852685e-10]
 [ 1.59631561e-10  1.59631561e-10  1.59631561e-10]
 [-1.59631561e-10 -1.59631561e-10  1.59631561e-10]
 [-1.59631561e-10  1.59631561e-10 -1.59631561e-10]
 [ 1.59631561e-10 -1.59631561e-10 -1.59631561e-10]]
stress =  [1.92416547e-11 1.92416547e-11 1.92416547e-11 0.00000000e+00
 0.00000000e+00 0.00000000e+00]
energy per atom =  1.9172640455416596
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0