# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/bacb0596-8e7e-4c75-b935-f78cb7e51ce1/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 TmHO2 / P2_1/c (14) / materials id 768422](https://mdr.nims.go.jp/datasets/13d0fc4f-4856-4289-bedb-96cfd8f8b474) ## Fulltext elements: [Tm, H, O]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: [168.9, 1.008, 16.0]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: [1.128556237957865e+02, 5.167878666887964e+00, 2.413515052939520e+00, 3.868612417289097e+02, -1.072090059175051e+00, 4.797246463392534e-01, 0.000000000000000e+00, -2.620230122225820e+05, 8.764800179554371e+04, 4.560400381979421e+03, 2.647080077558790e+03, 6.232803304752283e+05, 4.309664594210679e+02, 7.278901228089842e+01, -1.411987706894658e+02, 5.807650927685697e+03, 0.000000000000000e+00, -3.765621955399808e+04, 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