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:
EAM_Dynamo_Mendelev_2015_Na__MO_094065024556_000
==== 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 15:52:38       -2.201028         0.138909
BFGS:    1 15:52:38       -2.201525         0.134521
BFGS:    2 15:52:38       -2.209173         0.029721
BFGS:    3 15:52:38       -2.209678         0.012729
BFGS:    4 15:52:38       -2.209687         0.014765
BFGS:    5 15:52:38       -2.209709         0.017420
BFGS:    6 15:52:38       -2.209753         0.019278
BFGS:    7 15:52:38       -2.209826         0.017669
BFGS:    8 15:52:38       -2.209898         0.010290
BFGS:    9 15:52:38       -2.209926         0.002408
BFGS:   10 15:52:38       -2.209929         0.000429
BFGS:   11 15:52:38       -2.209929         0.000047
BFGS:   12 15:52:38       -2.209929         0.000004
BFGS:   13 15:52:38       -2.209929         0.000000
BFGS:   14 15:52:38       -2.209929         0.000000
Minimization converged after 14 steps.
Maximum force component: 3.161424740711271e-33 eV/Angstrom
Maximum stress component: 1.7092571560951544e-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([[3.775667402844696, -1.66907520465499e-17, 1.227081580072764e-38], [-1.887833701422348, 3.2698238871043195, 9.104147160828595e-38], [2.2273734983439236e-36, 9.576427048498051e-36, 6.155645906133532]])
forces =  [[ 2.42389030e-33 -8.39660232e-34 -3.16142474e-33]
 [-2.42389030e-33 -8.39660232e-34  3.16142474e-33]]
stress =  [-1.70925716e-11 -1.70925716e-11 -4.65621055e-12  1.27579598e-35
  2.20974346e-35 -4.29502645e-27]
energy per atom =  -1.1049647078946705
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0