# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c5a57a63-56b3-418b-a7c3-d88d2f19d3a3/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Na2SeO3 / P2_1/c (14) / materials id 5416](https://mdr.nims.go.jp/datasets/15780b57-e506-4fd7-b1b2-33d17dc1eaa4) ## Fulltext elements: [O, Na, Se]cutoff: 8.0pair_type: gaussianfeature_type: gtinvmodel_type: 3max_p: 2max_l: 8gtinv_order: 3gtinv_maxl: [8, 8]gtinv_sym: [0, 0]gtinv_version: 1electrostatic: 0mass: [16.0, 22.99, 78.96]n_pair_params: 11pair_params:- [1.0, 0.0]- [1.0, 0.7777777777777778]- [1.0, 1.5555555555555556]- [1.0, 2.3333333333333335]- [1.0, 3.111111111111111]- [1.0, 3.888888888888889]- [1.0, 4.666666666666667]- [1.0, 5.444444444444445]- [1.0, 6.222222222222222]- [1.0, 7.0]- [0.0, 0.0]n_type_pairs: 6type_pairs:- atom_type_pair: [0, 0] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [4.409750294158041e+00, 4.813360393137830e-01, -9.565580475291295e-02, 1.278354996265647e+01, 9.706971257349435e+00, 3.130574455930985e+03, -4.289196632656767e+03, 1.589262076535318e+02, 5.522707176205753e+01, 2.872187132195766e+02, -9.499804444560114e+01, 3.190456104369208e+04, 4.188617654608996e+04, 5.616606592577683e+00, -2.144865540468158e+03, -1.919246062634489e+05, 0.000000000000000e+00, -4.222317432208424e+06, 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