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:
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Na__MO_587469264453_004
==== 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 15:59:31      -10.053695        0.2360
BFGS:    1 15:59:31      -10.055886        0.2339
BFGS:    2 15:59:31      -10.086023        0.2023
BFGS:    3 15:59:31      -10.111789        0.1718
BFGS:    4 15:59:31      -10.133353        0.1425
BFGS:    5 15:59:31      -10.150872        0.1143
BFGS:    6 15:59:31      -10.164513        0.0870
BFGS:    7 15:59:31      -10.174409        0.0611
BFGS:    8 15:59:31      -10.180733        0.0362
BFGS:    9 15:59:31      -10.183641        0.0124
BFGS:   10 15:59:31      -10.183877        0.0036
BFGS:   11 15:59:31      -10.183877        0.0034
BFGS:   12 15:59:31      -10.183879        0.0029
BFGS:   13 15:59:31      -10.183883        0.0024
BFGS:   14 15:59:31      -10.183887        0.0023
BFGS:   15 15:59:31      -10.183891        0.0019
BFGS:   16 15:59:31      -10.183892        0.0021
BFGS:   17 15:59:31      -10.183893        0.0024
BFGS:   18 15:59:31      -10.183895        0.0026
BFGS:   19 15:59:31      -10.183898        0.0027
BFGS:   20 15:59:31      -10.183903        0.0022
BFGS:   21 15:59:31      -10.183909        0.0015
BFGS:   22 15:59:31      -10.183912        0.0004
BFGS:   23 15:59:31      -10.183912        0.0001
BFGS:   24 15:59:31      -10.183912        0.0000
BFGS:   25 15:59:31      -10.183912        0.0000
BFGS:   26 15:59:31      -10.183912        0.0000
BFGS:   27 15:59:31      -10.183912        0.0000
Minimization converged after 27 steps.
Maximum force component: 1.0442175693613844e-09 eV/Angstrom
Maximum stress component: 9.054598416001094e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na']
basis =  [[5.17861163e-33 1.36955018e-33 3.14996542e-32]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]
 [1.34373315e-17 1.78312715e-31 2.22227209e-01]
 [0.00000000e+00 5.94375716e-31 7.77772791e-01]
 [6.66666667e-01 3.33333333e-01 5.55560543e-01]
 [6.66666667e-01 3.33333333e-01 1.11106124e-01]
 [3.33333333e-01 6.66666667e-01 8.88893876e-01]
 [3.33333333e-01 6.66666667e-01 4.44439457e-01]]
cellpar =  Cell([[3.8313228809213933, 4.342468959970415e-17, -5.513769086595184e-16], [-1.9156614404606964, 3.3180229449785053, -2.2300496152911548e-17], [-4.258259025759406e-15, -2.5017514140845315e-15, 28.17756068485884]])
forces =  [[ 1.74956983e-47  1.02788223e-47 -1.15771750e-31]
 [ 1.74956983e-47  1.02788223e-47 -1.15771750e-31]
 [ 1.74956983e-47  1.02788223e-47 -1.15771750e-31]
 [ 1.57804608e-25  9.27111048e-26 -1.04421757e-09]
 [-1.57804610e-25 -9.27111002e-26  1.04421757e-09]
 [ 1.57804611e-25  9.27111051e-26 -1.04421757e-09]
 [-1.57804609e-25 -9.27111025e-26  1.04421757e-09]
 [ 1.57804616e-25  9.27111008e-26 -1.04421757e-09]
 [-1.57804609e-25 -9.27110991e-26  1.04421757e-09]]
stress =  [4.92580354e-11 4.92580354e-11 9.05459842e-11 1.25052478e-26
 2.04747278e-26 1.30514585e-25]
energy per atom =  -1.1315458236085059
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0