# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ced11bcd-37ef-4f05-94e4-d6636343a870/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 Dy3Se3N / Pnma (62) / materials id 567391](https://mdr.nims.go.jp/datasets/515e55e4-c29e-465b-95f4-145eed5a854e) ## Fulltext elements: [Dy, Se, N]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: [162.5, 78.96, 14.01]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: [2.333965112416793e+02, 1.744022654761955e+01, -2.251214571375649e-01, -3.507498352676712e+02, 2.259196694200146e+02, -1.155872204356454e+04, 0.000000000000000e+00, 4.483846928785007e+06, 1.869250637403654e+05, -2.419605420084554e+04, -2.129900075631023e+03, 9.096127471262055e+06, -8.593447663236106e+05, 4.849074329003995e+01, 1.473049903015786e+04, 1.552501022782716e+07, 0.000000000000000e+00, 0.000000000000000e+00, 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