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_1959MedCutoff_Na__MO_636041334617_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       -9.824777        0.2625
BFGS:    1 15:59:31       -9.827501        0.2599
BFGS:    2 15:59:31       -9.861252        0.2263
BFGS:    3 15:59:31       -9.890394        0.1960
BFGS:    4 15:59:31       -9.915158        0.1650
BFGS:    5 15:59:31       -9.935720        0.1370
BFGS:    6 15:59:31       -9.952610        0.1101
BFGS:    7 15:59:31       -9.965691        0.0834
BFGS:    8 15:59:31       -9.975184        0.0603
BFGS:    9 15:59:31       -9.981339        0.0347
BFGS:   10 15:59:31       -9.984028        0.0107
BFGS:   11 15:59:31       -9.984173        0.0037
BFGS:   12 15:59:31       -9.984174        0.0036
BFGS:   13 15:59:31       -9.984179        0.0026
BFGS:   14 15:59:31       -9.984185        0.0025
BFGS:   15 15:59:31       -9.984193        0.0020
BFGS:   16 15:59:31       -9.984197        0.0024
BFGS:   17 15:59:31       -9.984199        0.0024
BFGS:   18 15:59:31       -9.984200        0.0023
BFGS:   19 15:59:31       -9.984202        0.0018
BFGS:   20 15:59:31       -9.984205        0.0016
BFGS:   21 15:59:31       -9.984208        0.0011
BFGS:   22 15:59:31       -9.984210        0.0003
BFGS:   23 15:59:31       -9.984210        0.0001
BFGS:   24 15:59:31       -9.984210        0.0000
BFGS:   25 15:59:31       -9.984210        0.0000
BFGS:   26 15:59:31       -9.984210        0.0000
BFGS:   27 15:59:31       -9.984210        0.0000
Minimization converged after 27 steps.
Maximum force component: 1.0731780663794653e-10 eV/Angstrom
Maximum stress component: 1.2673730339840328e-11 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 8.21730110e-33]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]
 [1.34373315e-17 0.00000000e+00 2.22228216e-01]
 [0.00000000e+00 0.00000000e+00 7.77771784e-01]
 [6.66666667e-01 3.33333333e-01 5.55561550e-01]
 [6.66666667e-01 3.33333333e-01 1.11105117e-01]
 [3.33333333e-01 6.66666667e-01 8.88894883e-01]
 [3.33333333e-01 6.66666667e-01 4.44438450e-01]]
cellpar =  Cell([[3.849409542647577, -5.4075162397955515e-17, -5.058281041244626e-16], [-1.9247047713237884, 3.333686453503036, -3.34789517879541e-16], [-3.920236681598209e-15, -4.941801110875388e-15, 28.314710914674176]])
forces =  [[-3.29497471e-34  4.62866553e-51  4.32973108e-50]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.48583959e-26  1.87303091e-26 -1.07317807e-10]
 [-1.48583945e-26 -1.87303091e-26  1.07317807e-10]
 [ 1.48583945e-26  1.87303091e-26 -1.07317807e-10]
 [-1.48583965e-26 -1.87303080e-26  1.07317807e-10]
 [ 1.48583965e-26  1.87303080e-26 -1.07317807e-10]
 [-1.48583952e-26 -1.87303103e-26  1.07317807e-10]]
stress =  [ 1.26737303e-11  1.26737303e-11 -3.70130305e-12 -9.07774064e-27
  1.96924955e-26 -8.78254489e-27]
energy per atom =  -1.1093566740847776
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0