element(s):
['Si']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.6864', '1.708383']
model name:
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.6864, 0, 0], [-1.3432, 2.3264906447265, 0], [0, 0, 4.5894]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:07:32       -6.626969        6.0080
BFGS:    1 15:07:32       -7.282968        4.2110
BFGS:    2 15:07:32       -7.753320        2.7954
BFGS:    3 15:07:32       -8.059496        1.6713
BFGS:    4 15:07:32       -8.228222        0.7757
BFGS:    5 15:07:32       -8.282709        0.1475
BFGS:    6 15:07:32       -8.284831        0.0233
BFGS:    7 15:07:32       -8.284865        0.0173
BFGS:    8 15:07:32       -8.284872        0.0192
BFGS:    9 15:07:32       -8.284942        0.0306
BFGS:   10 15:07:32       -8.285067        0.0414
BFGS:   11 15:07:32       -8.285445        0.0548
BFGS:   12 15:07:32       -8.286482        0.0595
BFGS:   13 15:07:32       -8.288781        0.0748
BFGS:   14 15:07:32       -8.296796        0.2594
BFGS:   15 15:07:32       -8.287195        0.8940
BFGS:   16 15:07:32       -8.301698        0.2719
BFGS:   17 15:07:32       -8.305939        0.2748
BFGS:   18 15:07:32       -8.317265        0.3898
BFGS:   19 15:07:32       -8.323875        0.5024
BFGS:   20 15:07:32       -8.328150        0.2817
BFGS:   21 15:07:32       -8.329869        0.0100
BFGS:   22 15:07:32       -8.329872        0.0019
BFGS:   23 15:07:32       -8.329872        0.0006
BFGS:   24 15:07:32       -8.329872        0.0000
BFGS:   25 15:07:32       -8.329872        0.0000
BFGS:   26 15:07:32       -8.329872        0.0000
Minimization converged after 26 steps.
Maximum force component: 7.165050002395394e-32 eV/Angstrom
Maximum stress component: 1.1263097010361258e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.1036681422879835, 2.2855558780573277e-17, -9.915411889218552e-36], [-1.5518340711439917, 2.6878554561378514, -1.9131502328190375e-35], [-4.320853430470203e-35, -1.180822378728833e-35, 4.359734369376863]])
forces =  [[-4.46316073e-32 -3.31303764e-32 -7.16505000e-32]
 [ 4.46316073e-32  3.31303764e-32  7.16505000e-32]]
stress =  [-7.62572072e-13 -7.62572072e-13  1.12630970e-12  9.22732176e-47
  2.52236572e-47  2.27859565e-29]
energy per atom =  -4.164936202569829
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0