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:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== 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 15:59:30       -9.355635        0.8831
BFGS:    1 15:59:30       -9.388056        0.8561
BFGS:    2 15:59:30       -9.506694        0.7527
BFGS:    3 15:59:30       -9.610267        0.6550
BFGS:    4 15:59:30       -9.700578        0.5820
BFGS:    5 15:59:30       -9.780341        0.4902
BFGS:    6 15:59:30       -9.846497        0.4044
BFGS:    7 15:59:30       -9.899962        0.3239
BFGS:    8 15:59:30       -9.941551        0.2482
BFGS:    9 15:59:30       -9.972023        0.1771
BFGS:   10 15:59:30       -9.992089        0.1102
BFGS:   11 15:59:30      -10.002413        0.0473
BFGS:   12 15:59:30      -10.004202        0.0110
BFGS:   13 15:59:31      -10.004212        0.0090
BFGS:   14 15:59:31      -10.004222        0.0077
BFGS:   15 15:59:31      -10.004247        0.0068
BFGS:   16 15:59:31      -10.004272        0.0064
BFGS:   17 15:59:31      -10.004288        0.0045
BFGS:   18 15:59:31      -10.004292        0.0054
BFGS:   19 15:59:31      -10.004294        0.0059
BFGS:   20 15:59:31      -10.004298        0.0063
BFGS:   21 15:59:31      -10.004305        0.0061
BFGS:   22 15:59:31      -10.004316        0.0045
BFGS:   23 15:59:31      -10.004324        0.0019
BFGS:   24 15:59:31      -10.004327        0.0005
BFGS:   25 15:59:31      -10.004327        0.0001
BFGS:   26 15:59:32      -10.004327        0.0000
BFGS:   27 15:59:32      -10.004327        0.0000
BFGS:   28 15:59:32      -10.004327        0.0000
Minimization converged after 28 steps.
Maximum force component: 9.091295575155054e-10 eV/Angstrom
Maximum stress component: 2.0308263462938962e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na']
basis =  [[3.52832014e-33 0.00000000e+00 4.22997214e-32]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]
 [1.34373315e-17 1.17113670e-31 2.22188744e-01]
 [0.00000000e+00 1.17113670e-31 7.77811256e-01]
 [6.66666667e-01 3.33333333e-01 5.55522077e-01]
 [6.66666667e-01 3.33333333e-01 1.11144589e-01]
 [3.33333333e-01 6.66666667e-01 8.88855411e-01]
 [3.33333333e-01 6.66666667e-01 4.44477923e-01]]
cellpar =  Cell([[3.888948704027733, -2.4106326946140414e-17, 7.300535626888072e-16], [-1.9444743520138663, 3.3679283717025874, -2.741253874482635e-16], [5.0987050725988814e-15, 7.637006865034255e-16, 28.538049810131696]])
forces =  [[-3.49146623e-48 -5.22963207e-49 -1.95421457e-32]
 [-5.45541599e-48 -8.17130011e-49 -3.05346026e-32]
 [-6.98293246e-48 -1.04592641e-48 -3.90842913e-32]
 [-1.62428177e-25 -2.43290321e-26 -9.09129558e-10]
 [ 1.62428177e-25  2.43290275e-26  9.09129558e-10]
 [-1.62428177e-25 -2.43290275e-26 -9.09129558e-10]
 [ 1.62428180e-25  2.43290275e-26  9.09129558e-10]
 [-1.62428178e-25 -2.43290252e-26 -9.09129558e-10]
 [ 1.62428184e-25  2.43290160e-26  9.09129558e-10]]
stress =  [ 2.03082635e-10  2.03082635e-10  1.09322062e-10 -8.38528637e-27
 -5.68059373e-26  6.82743216e-26]
energy per atom =  -1.1115919069547178
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0