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_001
==== 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 12:37:49       17.550918         9.703685
BFGS:    1 12:37:49       16.058422         4.993082
BFGS:    2 12:37:50       15.413714         1.612681
BFGS:    3 12:37:50       15.342148         0.261953
BFGS:    4 12:37:50       15.339279         0.138394
BFGS:    5 12:37:51       15.338226         0.066492
BFGS:    6 12:37:51       15.338113         0.006917
BFGS:    7 12:37:51       15.338112         0.000610
BFGS:    8 12:37:51       15.338112         0.000064
BFGS:    9 12:37:52       15.338112         0.000001
BFGS:   10 12:37:52       15.338112         0.000000
BFGS:   11 12:37:52       15.338112         0.000000
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