# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5a54bfa0-422a-4883-b9ed-bf720455a2ef/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 DyPO4 / I4_1/amd (141) / materials id 5767](https://mdr.nims.go.jp/datasets/11dd0c82-68e2-477f-8ff0-568715309b08) ## Fulltext elements: [O, P, Dy]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, 30.97, 162.5]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: [6.993970388743410e-01, 2.894492625656632e-02, 2.458625927427321e-01, 5.226794781690651e+01, 1.833726897181023e+00, -5.138642277873854e+02, 2.241010124359743e+02, 2.624619540525657e+01, 1.692731992890255e+02, 8.176477900346928e-01, 6.259161825199089e+01, -8.573473441367205e+03, 2.123119056918374e+02, 8.904284130555571e+01, 1.489684178168863e+04, 4.325154870353203e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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