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 16:07:17       -9.824777         0.262496
BFGS:    1 16:07:17       -9.827501         0.259918
BFGS:    2 16:07:18       -9.861252         0.226292
BFGS:    3 16:07:18       -9.890394         0.195985
BFGS:    4 16:07:18       -9.915158         0.164992
BFGS:    5 16:07:18       -9.935720         0.136975
BFGS:    6 16:07:18       -9.952610         0.110066
BFGS:    7 16:07:18       -9.965691         0.083440
BFGS:    8 16:07:18       -9.975184         0.060256
BFGS:    9 16:07:19       -9.981339         0.034662
BFGS:   10 16:07:19       -9.984028         0.010725
BFGS:   11 16:07:19       -9.984173         0.003735
BFGS:   12 16:07:19       -9.984174         0.003650
BFGS:   13 16:07:19       -9.984179         0.002638
BFGS:   14 16:07:19       -9.984185         0.002531
BFGS:   15 16:07:20       -9.984193         0.002025
BFGS:   16 16:07:20       -9.984197         0.002392
BFGS:   17 16:07:20       -9.984199         0.002430
BFGS:   18 16:07:20       -9.984200         0.002269
BFGS:   19 16:07:20       -9.984202         0.001842
BFGS:   20 16:07:20       -9.984205         0.001648
BFGS:   21 16:07:20       -9.984208         0.001074
BFGS:   22 16:07:20       -9.984210         0.000334
BFGS:   23 16:07:20       -9.984210         0.000077
BFGS:   24 16:07:20       -9.984210         0.000010
BFGS:   25 16:07:20       -9.984210         0.000001
BFGS:   26 16:07:20       -9.984210         0.000000
BFGS:   27 16:07:21       -9.984210         0.000000
Minimization converged after 27 steps.
Maximum force component: 1.0731767075876981e-10 eV/Angstrom
Maximum stress component: 1.2673756235020423e-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 0.00000000e+00]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]
 [1.34373315e-17 5.91583009e-32 2.22228216e-01]
 [0.00000000e+00 2.36633204e-31 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([[3.8494095426475776, -5.847965643041105e-17, -5.004093923031087e-16], [-1.9247047713237886, 3.3336864535030375, -3.4020822970089484e-16], [-3.8803981576030635e-15, -4.964801893428096e-15, 28.31471091467419]])
forces =  [[-1.64748736e-33  5.70706361e-34  1.13092413e-49]
 [-3.62447219e-33 -5.70706361e-34  3.87784175e-32]
 [-1.64748736e-33  5.70706361e-34  1.13092413e-49]
 [ 1.47073825e-26  1.88174607e-26 -1.07317671e-10]
 [-1.47073825e-26 -1.88174652e-26  1.07317671e-10]
 [ 1.47073811e-26  1.88174618e-26 -1.07317671e-10]
 [-1.47073795e-26 -1.88174669e-26  1.07317671e-10]
 [ 1.47073811e-26  1.88174629e-26 -1.07317671e-10]
 [-1.47073795e-26 -1.88174658e-26  1.07317671e-10]]
stress =  [ 1.26737562e-11  1.26737562e-11 -3.70124347e-12 -8.95881076e-27
  1.94865405e-26  2.52233712e-27]
energy per atom =  -1.109356674084778
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0