# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e2d4e805-3a53-424c-9201-6f4937c53fee/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 YHO2 / Pmn2_1 (31) / materials id 754117](https://mdr.nims.go.jp/datasets/b0721c80-9a9e-41b8-80c9-e7254cc6dcc2) ## Fulltext elements: [Y, 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: [88.91, 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: [1.349426124589764e+03, 3.043986509646035e+00, 1.081611043742461e+00, 2.996262979843270e+02, -3.865381898848536e-01, 1.063829172951759e+00, 0.000000000000000e+00, -2.450148455989530e+06, 4.643434076367926e+05, 4.003337839300403e+03, 1.858047781477245e+03, -3.749106817833962e+05, -4.757889397493330e+01, 9.986150841531891e+01, -6.370560823411274e+01, 1.630395097292308e+03, 0.000000000000000e+00, -1.080002138938658e+05, 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