# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/39c40620-edec-4e01-a417-644a4c129172/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 Ca2SiO4 / Pnma (62) / materials id 4481](https://mdr.nims.go.jp/datasets/01256c04-ff9b-42cd-83b8-6baff6cdae11) ## Fulltext elements: [O, Si, Ca]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, 40.08]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: [3.070230032640088e+00, -4.798695123462872e-02, 9.705675163432771e-02, 7.645768160002216e+02, 7.882255313685141e+00, 3.512262296013797e+02, 2.274234346249887e+03, 9.218625108198677e+01, 1.869605687735191e+03, 1.969474288575767e+00, -1.274696661126002e+02, 1.417575171660495e+05, 3.289204872206683e+02, 6.641448941230955e+01, 6.852441551516909e+03, 1.472233072453916e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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