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_001
==== 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 15:06:34       -9.355635         0.883149
BFGS:    1 15:06:34       -9.388056         0.856134
BFGS:    2 15:06:34       -9.506694         0.752735
BFGS:    3 15:06:34       -9.610267         0.654980
BFGS:    4 15:06:34       -9.700578         0.581989
BFGS:    5 15:06:34       -9.780341         0.490162
BFGS:    6 15:06:35       -9.846497         0.404428
BFGS:    7 15:06:35       -9.899962         0.323898
BFGS:    8 15:06:35       -9.941551         0.248232
BFGS:    9 15:06:35       -9.972023         0.177105
BFGS:   10 15:06:35       -9.992089         0.110212
BFGS:   11 15:06:35      -10.002413         0.047266
BFGS:   12 15:06:35      -10.004202         0.010955
BFGS:   13 15:06:35      -10.004212         0.008988
BFGS:   14 15:06:35      -10.004222         0.007662
BFGS:   15 15:06:35      -10.004247         0.006792
BFGS:   16 15:06:35      -10.004272         0.006401
BFGS:   17 15:06:35      -10.004288         0.004487
BFGS:   18 15:06:35      -10.004292         0.005412
BFGS:   19 15:06:35      -10.004294         0.005909
BFGS:   20 15:06:36      -10.004298         0.006289
BFGS:   21 15:06:36      -10.004305         0.006092
BFGS:   22 15:06:36      -10.004316         0.004504
BFGS:   23 15:06:36      -10.004324         0.001853
BFGS:   24 15:06:36      -10.004327         0.000462
BFGS:   25 15:06:36      -10.004327         0.000061
BFGS:   26 15:06:36      -10.004327         0.000009
BFGS:   27 15:06:36      -10.004327         0.000000
BFGS:   28 15:06:36      -10.004327         0.000000
Minimization converged after 28 steps.
Maximum force component: 9.091337520768706e-10 eV/Angstrom
Maximum stress component: 2.030826522651622e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na']
basis =  [[2.22551905e-33 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 1.02474461e-31 2.22188744e-01]
 [0.00000000e+00 2.04948923e-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([[3.8889487040277335, -2.2035168808491778e-17, 7.185173680984924e-16], [-1.9444743520138665, 3.3679283717025874, -2.625891928579506e-16], [5.014083864121774e-15, 8.125567639968233e-16, 28.538049810131696]])
forces =  [[-3.86270970e-47 -6.25970961e-48 -2.19849139e-31]
 [ 1.66440950e-34  2.88284182e-34 -3.90842913e-32]
 [-4.12022368e-47 -6.67702359e-48 -2.34505748e-31]
 [-1.59733160e-25 -2.58855382e-26 -9.09133752e-10]
 [ 1.59733159e-25  2.58855405e-26  9.09133752e-10]
 [-1.59733160e-25 -2.58855382e-26 -9.09133752e-10]
 [ 1.59733160e-25  2.58855388e-26  9.09133752e-10]
 [-1.59733160e-25 -2.58855382e-26 -9.09133752e-10]
 [ 1.59733158e-25  2.58855411e-26  9.09133752e-10]]
stress =  [ 2.03082652e-10  2.03082652e-10  1.09322065e-10 -8.92018775e-27
 -5.58794655e-26  5.19421853e-25]
energy per atom =  -1.1115919069547184
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0