# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/77b34501-ab0f-42ac-ae6f-c5aa004b8389/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 Dy5C2I9 / P2_1/c (14) / materials id 570607](https://mdr.nims.go.jp/datasets/4edcb59b-a199-4e2e-b79f-c08eb1aeb343) ## Fulltext elements: [Dy, C, I]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, 12.01, 126.9]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: [1.532915217126196e+02, 3.623960193821708e-02, 3.987555775686353e+01, 2.241636199173061e-02, -2.797698772215604e+03, 7.783844725167646e+03, 2.644754822205960e+07, -4.612264296944677e+05, -1.466330778437117e+07, 1.282342118768025e+03, 2.890301689313939e+04, 1.137478198468729e+02, 1.778117716713972e+07, -6.882981698915100e+03, 0.000000000000000e+00, 0.000000000000000e+00, 1.126360085408934e+00, 6.737141165155545e+05, 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