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 16:07:17      -10.053695         0.235987
BFGS:    1 16:07:17      -10.055886         0.233946
BFGS:    2 16:07:18      -10.086023         0.202349
BFGS:    3 16:07:18      -10.111789         0.171769
BFGS:    4 16:07:18      -10.133353         0.142476
BFGS:    5 16:07:18      -10.150872         0.114322
BFGS:    6 16:07:18      -10.164513         0.087018
BFGS:    7 16:07:18      -10.174409         0.061135
BFGS:    8 16:07:18      -10.180733         0.036192
BFGS:    9 16:07:19      -10.183641         0.012374
BFGS:   10 16:07:19      -10.183877         0.003579
BFGS:   11 16:07:19      -10.183877         0.003432
BFGS:   12 16:07:19      -10.183879         0.002890
BFGS:   13 16:07:19      -10.183883         0.002405
BFGS:   14 16:07:19      -10.183887         0.002284
BFGS:   15 16:07:19      -10.183891         0.001852
BFGS:   16 16:07:19      -10.183892         0.002148
BFGS:   17 16:07:19      -10.183893         0.002365
BFGS:   18 16:07:19      -10.183895         0.002579
BFGS:   19 16:07:19      -10.183898         0.002650
BFGS:   20 16:07:19      -10.183903         0.002234
BFGS:   21 16:07:19      -10.183909         0.001524
BFGS:   22 16:07:19      -10.183912         0.000363
BFGS:   23 16:07:19      -10.183912         0.000131
BFGS:   24 16:07:19      -10.183912         0.000005
BFGS:   25 16:07:19      -10.183912         0.000001
BFGS:   26 16:07:19      -10.183912         0.000000
BFGS:   27 16:07:19      -10.183912         0.000000
Minimization converged after 27 steps.
Maximum force component: 1.0442197393146513e-09 eV/Angstrom
Maximum stress component: 9.054593704901492e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na']
basis =  [[0.00000000e+00 1.32836248e-33 0.00000000e+00]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]
 [1.34373315e-17 1.78312715e-31 2.22227209e-01]
 [0.00000000e+00 2.37750286e-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([[3.8313228809213915, 5.129280664174771e-17, -4.639933196236453e-16], [-1.9156614404606955, 3.3180229449785066, -1.0968408518877016e-16], [-3.6189557869603335e-15, -2.8708533110988788e-15, 28.17756068485883]])
forces =  [[ 9.83847928e-34  1.13604973e-33  1.54362334e-31]
 [ 9.83847928e-34  5.68024866e-34  2.31543500e-31]
 [ 6.55898619e-34  1.13604973e-33  1.54362334e-31]
 [ 1.34113281e-25  1.06389685e-25 -1.04421974e-09]
 [-1.34113283e-25 -1.06389679e-25  1.04421974e-09]
 [ 1.34113284e-25  1.06389680e-25 -1.04421974e-09]
 [-1.34113282e-25 -1.06389679e-25  1.04421974e-09]
 [ 1.34113283e-25  1.06389683e-25 -1.04421974e-09]
 [-1.34113283e-25 -1.06389679e-25  1.04421974e-09]]
stress =  [ 4.92580244e-11  4.92580244e-11  9.05459370e-11  2.57465286e-25
 -4.03808522e-25 -4.52576943e-27]
energy per atom =  -1.131545823608506
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0