element(s):
['C']
AFLOW prototype label:
A_cI16_229_f
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8764', '0.16261302']
model name:
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002
==== Building ASE atoms object with: ====
representative atom symbols = ['C']
representative atom coordinates = [[0.16261302 0.16261302 0.16261302]]
spacegroup = 229
cell = [[4.8764, 0, 0], [0, 4.8764, 0], [0, 0, 4.8764]]
=========================================
Step Time Energy fmax
BFGS: 0 16:42:39 -79.330335 2.919360
BFGS: 1 16:42:39 -79.562109 2.669350
BFGS: 2 16:42:40 -80.056098 2.529800
BFGS: 3 16:42:40 -80.455167 2.385788
BFGS: 4 16:42:40 -80.818423 2.243308
BFGS: 5 16:42:40 -81.155902 2.104014
BFGS: 6 16:42:40 -81.470788 1.968412
BFGS: 7 16:42:40 -81.764527 1.836619
BFGS: 8 16:42:41 -82.038016 1.708617
BFGS: 9 16:42:41 -82.291952 1.584340
BFGS: 10 16:42:41 -82.526954 1.463708
BFGS: 11 16:42:42 -82.743602 1.346634
BFGS: 12 16:42:42 -82.942449 1.233029
BFGS: 13 16:42:42 -83.124031 1.122804
BFGS: 14 16:42:42 -83.288868 1.015876
BFGS: 15 16:42:42 -83.437468 0.912166
BFGS: 16 16:42:43 -83.570321 0.811578
BFGS: 17 16:42:43 -83.687912 0.714146
BFGS: 18 16:42:43 -83.790769 0.620146
BFGS: 19 16:42:43 -83.879455 0.529531
BFGS: 20 16:42:43 -83.954498 0.442217
BFGS: 21 16:42:43 -84.016396 0.358120
BFGS: 22 16:42:44 -84.065626 0.277157
BFGS: 23 16:42:44 -84.102644 0.199256
BFGS: 24 16:42:44 -84.127892 0.124355
BFGS: 25 16:42:44 -84.141791 0.052418
BFGS: 26 16:42:44 -84.145006 0.011889
BFGS: 27 16:42:44 -84.145016 0.006904
BFGS: 28 16:42:44 -84.145019 0.002388
BFGS: 29 16:42:44 -84.145020 0.000164
BFGS: 30 16:42:44 -84.145020 0.000035
BFGS: 31 16:42:44 -84.145020 0.000004
BFGS: 32 16:42:45 -84.145020 0.000000
BFGS: 33 16:42:45 -84.145020 0.000000
Minimization converged after 33 steps.
Maximum force component: 3.3798785992189576e-10 eV/Angstrom
Maximum stress component: 6.485370916760424e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis = [[0.16221069 0.16221069 0.16221069]
[0.83778931 0.83778931 0.16221069]
[0.83778931 0.16221069 0.83778931]
[0.16221069 0.83778931 0.83778931]
[0.16221069 0.16221069 0.83778931]
[0.83778931 0.83778931 0.83778931]
[0.16221069 0.83778931 0.16221069]
[0.83778931 0.16221069 0.16221069]
[0.66221069 0.66221069 0.66221069]
[0.33778931 0.33778931 0.66221069]
[0.33778931 0.66221069 0.33778931]
[0.66221069 0.33778931 0.33778931]
[0.66221069 0.66221069 0.33778931]
[0.33778931 0.33778931 0.33778931]
[0.66221069 0.33778931 0.66221069]
[0.33778931 0.66221069 0.66221069]]
cellpar = Cell([[5.266514072001747, -7.406948649741959e-33, 1.0358221058380701e-33], [-7.210186738640799e-33, 5.266514072001747, 9.870469572418721e-19], [-1.3248563854817016e-33, 9.870469572418739e-19, 5.266514072001747]])
forces = [[ 3.3798786e-10 3.3798786e-10 3.3798786e-10]
[-3.3798786e-10 -3.3798786e-10 3.3798786e-10]
[-3.3798786e-10 3.3798786e-10 -3.3798786e-10]
[ 3.3798786e-10 -3.3798786e-10 -3.3798786e-10]
[ 3.3798786e-10 3.3798786e-10 -3.3798786e-10]
[-3.3798786e-10 -3.3798786e-10 -3.3798786e-10]
[ 3.3798786e-10 -3.3798786e-10 3.3798786e-10]
[-3.3798786e-10 3.3798786e-10 3.3798786e-10]
[ 3.3798786e-10 3.3798786e-10 3.3798786e-10]
[-3.3798786e-10 -3.3798786e-10 3.3798786e-10]
[-3.3798786e-10 3.3798786e-10 -3.3798786e-10]
[ 3.3798786e-10 -3.3798786e-10 -3.3798786e-10]
[ 3.3798786e-10 3.3798786e-10 -3.3798786e-10]
[-3.3798786e-10 -3.3798786e-10 -3.3798786e-10]
[ 3.3798786e-10 -3.3798786e-10 3.3798786e-10]
[-3.3798786e-10 3.3798786e-10 3.3798786e-10]]
stress = [-6.48537092e-11 -6.48537092e-11 -6.48537092e-11 3.49502091e-28
1.25913308e-33 -3.91455953e-51]
energy per atom = -5.259063733002491
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0