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:
MEAM_LAMMPS_KimKoLee_2020_Na__MO_321355778754_002
==== 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 15:04:56       -2.219003         0.134701
BFGS:    1 15:04:56       -2.219692         0.128580
BFGS:    2 15:04:56       -2.226997         0.013385
BFGS:    3 15:04:56       -2.227054         0.003847
BFGS:    4 15:04:56       -2.227054         0.002850
BFGS:    5 15:04:56       -2.227055         0.002593
BFGS:    6 15:04:56       -2.227056         0.002144
BFGS:    7 15:04:56       -2.227058         0.001988
BFGS:    8 15:04:56       -2.227059         0.001062
BFGS:    9 15:04:56       -2.227060         0.000389
BFGS:   10 15:04:56       -2.227060         0.000068
BFGS:   11 15:04:56       -2.227060         0.000003
BFGS:   12 15:04:56       -2.227060         0.000000
BFGS:   13 15:04:56       -2.227060         0.000000
Minimization converged after 13 steps.
Maximum force component: 8.652163278779809e-33 eV/Angstrom
Maximum stress component: 1.5215105679367215e-10 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([[3.743716684328233, 5.1013569797515004e-17, 4.232974833233508e-38], [-1.8718583421641164, 3.2421537531998954, 4.066052536829426e-37], [-1.448240704600918e-36, -7.79336420880235e-37, 6.134241760705175]])
forces =  [[ 8.65216328e-33 -6.66043840e-33 -7.80950029e-70]
 [-2.88405443e-33 -3.92994247e-50 -3.26096519e-71]]
stress =  [-1.20904876e-10 -1.20904876e-10 -1.52151057e-10 -6.99585472e-46
 -5.59094685e-36 -5.39987010e-26]
energy per atom =  -1.1135299846053157
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0