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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 15:04:39       -8.715671         6.168542
BFGS:    1 15:04:39       -9.655012         6.312492
BFGS:    2 15:04:39      -10.589464         6.069419
BFGS:    3 15:04:39      -11.441456         5.148488
BFGS:    4 15:04:39      -12.072813         3.038447
BFGS:    5 15:04:39      -12.254937         1.046832
BFGS:    6 15:04:39      -12.268886         0.252178
BFGS:    7 15:04:39      -12.269858         0.016085
BFGS:    8 15:04:39      -12.269861         0.000898
BFGS:    9 15:04:39      -12.269861         0.000200
BFGS:   10 15:04:39      -12.269861         0.000001
BFGS:   11 15:04:39      -12.269861         0.000000
BFGS:   12 15:04:39      -12.269861         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9868141781458134e-11 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([[3.228905618479378, -6.755863763756765e-17, -1.1920664470745783e-35], [-1.614452809239689, 2.796314292025446, -6.104618269580971e-36], [2.2292523367491207e-35, -3.158270122153573e-35, 5.2728859770951955]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.98681418e-11  1.98681418e-11  1.56171479e-11  4.17980577e-34
 -7.23963596e-34 -1.18818511e-28]
energy per atom =  -6.134930613075392
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0