element(s):
['Na']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.669', '1.6326519']
model name:
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Na__MO_587469264453_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Na']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.669, 0, 0], [-1.8345, 3.1774472064851, 0], [0, 0, 5.9902]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:52:21       -2.234637         0.227147
BFGS:    1 15:52:21       -2.236752         0.217727
BFGS:    2 15:52:21       -2.258567         0.084485
BFGS:    3 15:52:21       -2.262898         0.012792
BFGS:    4 15:52:21       -2.262996         0.001458
BFGS:    5 15:52:21       -2.262997         0.000751
BFGS:    6 15:52:21       -2.262997         0.000716
BFGS:    7 15:52:21       -2.262997         0.000394
BFGS:    8 15:52:22       -2.262997         0.000225
BFGS:    9 15:52:22       -2.262997         0.000054
BFGS:   10 15:52:22       -2.262997         0.000010
BFGS:   11 15:52:22       -2.262997         0.000000
BFGS:   12 15:52:22       -2.262997         0.000000
BFGS:   13 15:52:22       -2.262997         0.000000
Minimization converged after 13 steps.
Maximum force component: 2.9513070762175457e-33 eV/Angstrom
Maximum stress component: 8.06407442510085e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Na', 'Na']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.8310156151039925, 1.4464410273708858e-17, 3.237330921298078e-37], [-1.9155078075519962, 3.317756844974925, 5.025522687753857e-37], [-4.784439921305378e-36, -1.4589252639420791e-35, 6.262043651161883]])
forces =  [[ 2.95130708e-33 -1.70393793e-33 -9.18381885e-71]
 [ 2.95130708e-33 -1.70393793e-33 -9.18381885e-71]]
stress =  [-7.07131650e-12 -7.07131650e-12 -8.06407443e-12 -2.22480055e-34
 -4.28163065e-35 -4.83912149e-28]
energy per atom =  -1.1314984507004577
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0