opti eigenvector conv phon mole rigid prop noautobond include_imaginary nowrap #phon eignevectors noflag mole rigid noautobond include_imaginary nowrap cell 5.4600 5.4600 5.4600 90.000000 90.000000 90.000000 fractional Na core 0 0.5 0.5 Na core 0.5 0.5 0 Na core 0.5 0 0.5 Na core 0 0 0 O core 0.56923 -0.06923 1.06923 He core 0.5 0 1 O core 0.43077 0.06923 0.93077 O core 0.56923 0.56923 0.56923 He core 0.5 0.5 0.5 O core 0.43077 0.43077 0.43077 O core -0.06923 1.06923 0.56923 He core 0 1 0.5 O core 0.06923 0.93077 0.43077 O core -0.06923 0.43077 1.06923 He core 0 0.5 1 O core 0.06923 0.56923 0.93077 connect 5 6 0 0 0 connect 6 7 0 0 0 connect 8 9 0 0 0 connect 9 10 0 0 0 connect 11 12 0 0 0 connect 12 13 0 0 0 connect 14 15 0 0 0 connect 15 16 0 0 0 element mass Na 23 mass O 16 mass He 0 end species Na core 1.0 O core -0.85 He core 0.7 element cova Na 0.0 cova He 0.0 cova O 0.0 end buck inter O core Na core 1193.99 0.272702482 3.42916 0.00 5.000 O core O core 3367 0.23923445 11.2406 0.00 5.000 Na core Na core 423.4132 0.316957211 1.0436 0.000 5.000 He core He core 0.0000001 1.00 0.0000001 0.000 5.000 Na core He core 0.0000001 1.00 0.0000001 0.000 5.000 O core He core 0.0000001 1.00 0.0000001 0.000 5.000 #shrink #8 8 8 dispersion 1 0.0 0.0 0.0 to 1.0 0.0 0.0 #eigvector_type mass-unweighted phased output phon nao2_dos output freq text naO2s_freq output eig naO2_eigen_mass_weighted