# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c14578d2-b0f6-4f05-b5e4-6a99c6f6c395/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 ScAsO4 / I4_1/amd (141) / materials id 546125](https://mdr.nims.go.jp/datasets/3608d8c5-3fe8-45ae-a8ba-faadb11a5509) ## Fulltext elements: [O, Sc, As]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, 44.96, 74.92]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: [9.734514640335674e-01, 8.815995208141650e-02, 5.525576985591379e-02, 7.984612406838194e+02, 2.528882140590714e+01, -2.126325494552048e+03, -6.665617585193562e+00, 3.215273419048506e+02, 7.694492637256970e+01, 2.126028143956304e+01, -5.493914211595748e+01, -5.515938752006248e+03, 1.495610128934995e+04, 2.058258114042691e+00, -7.892976788424872e+02, -3.619520360504870e+04, 0.000000000000000e+00, 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