# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ac0f86b5-c1a3-47a6-8b5c-d380583ac39f/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 HfSiO4 / I4_1/amd (141) / materials id 4609](https://mdr.nims.go.jp/datasets/11ebc55b-af8c-48b2-8aa7-ad387e57db29) ## Fulltext elements: [O, Si, Hf]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, 28.09, 178.5]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: [8.548683871313804e-01, 3.251092117977265e-02, 1.115253461082786e-01, -1.209310654966515e+02, 1.148171619608182e+01, 8.707133938751927e+01, 6.839862282948636e+01, 1.012294522639676e+01, 1.225545155541944e+02, 7.708218830345932e-01, -2.639682160464814e+01, -4.855623889608260e+03, -4.919232665229314e+01, 1.655599941041842e+01, 2.782631023062528e+03, 8.235474163098095e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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