element(s):
['Na']
AFLOW prototype label:
A_hR3_166_ac
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6721039', '7.3193751', '0.22222213']
model name:
MEAM_LAMMPS_KimKoLee_2020_Na__MO_321355778754_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Na', 'Na']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.22222213]]
spacegroup =  166
cell =  [[3.6721, 0, 0], [-1.83605, 3.1801318852368, 0], [0, 0, 26.8775]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:00:01       -9.986835        0.1412
BFGS:    1 16:00:01       -9.987560        0.1397
BFGS:    2 16:00:01      -10.003147        0.1056
BFGS:    3 16:00:01      -10.014302        0.0730
BFGS:    4 16:00:01      -10.021229        0.0419
BFGS:    5 16:00:01      -10.024126        0.0123
BFGS:    6 16:00:01      -10.024245        0.0053
BFGS:    7 16:00:01      -10.024246        0.0051
BFGS:    8 16:00:01      -10.024249        0.0043
BFGS:    9 16:00:01      -10.024256        0.0039
BFGS:   10 16:00:01      -10.024271        0.0043
BFGS:   11 16:00:01      -10.024293        0.0038
BFGS:   12 16:00:01      -10.024310        0.0023
BFGS:   13 16:00:01      -10.024315        0.0021
BFGS:   14 16:00:01      -10.024316        0.0020
BFGS:   15 16:00:01      -10.024317        0.0019
BFGS:   16 16:00:01      -10.024318        0.0019
BFGS:   17 16:00:01      -10.024322        0.0021
BFGS:   18 16:00:01      -10.024327        0.0019
BFGS:   19 16:00:01      -10.024331        0.0010
BFGS:   20 16:00:01      -10.024332        0.0002
BFGS:   21 16:00:01      -10.024332        0.0000
BFGS:   22 16:00:01      -10.024332        0.0000
BFGS:   23 16:00:01      -10.024332        0.0000
BFGS:   24 16:00:01      -10.024332        0.0000
Minimization converged after 24 steps.
Maximum force component: 1.9216871803664237e-09 eV/Angstrom
Maximum stress component: 1.1849262989589198e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]
 [1.34373315e-17 0.00000000e+00 2.22264236e-01]
 [0.00000000e+00 0.00000000e+00 7.77735764e-01]
 [6.66666667e-01 3.33333333e-01 5.55597569e-01]
 [6.66666667e-01 3.33333333e-01 1.11069098e-01]
 [3.33333333e-01 6.66666667e-01 8.88930902e-01]
 [3.33333333e-01 6.66666667e-01 4.44402431e-01]]
cellpar =  Cell([[3.744684814521979, 2.4708093004170582e-17, 2.319604857654505e-16], [-1.872342407260989, 3.2429921785418534, 1.7245921980519626e-16], [1.464377421760081e-15, 2.422176645345193e-15, 27.58040906219817]])
forces =  [[-2.56426689e-33  2.22072027e-33 -9.44318857e-33]
 [ 1.28213344e-33  3.74041377e-48  4.24943486e-32]
 [-2.56426689e-33  2.22072027e-33 -9.44318857e-33]
 [ 1.02031674e-25  1.68767106e-25  1.92168718e-09]
 [-1.02031676e-25 -1.68767104e-25 -1.92168718e-09]
 [ 1.02031676e-25  1.68767103e-25  1.92168718e-09]
 [-1.02031675e-25 -1.68767103e-25 -1.92168718e-09]
 [ 1.02031674e-25  1.68767106e-25  1.92168718e-09]
 [-1.02031675e-25 -1.68767103e-25 -1.92168718e-09]]
stress =  [ 8.12062843e-11  8.12062843e-11  1.18492630e-10 -1.48421055e-25
  2.14814646e-25  1.16757301e-27]
energy per atom =  -1.1138146841543013
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0