# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/74566187-35e5-4eef-9bfe-f3a292d5dd1f/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 Ca3SiO5 / P6_3mc (186) / materials id 37657](https://mdr.nims.go.jp/datasets/eac5c909-a800-4c86-afe4-04a0be205dc7) ## Fulltext elements: [Ca, O, Si]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: [40.08, 16.0, 28.09]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: [1.081850387512403e+02, -3.825818904966478e-01, 9.080418529224556e+01, 5.333233511551179e+00, -1.321327880861886e-02, 0.000000000000000e+00, 1.019402459896561e+06, 4.066592185982529e+03, 0.000000000000000e+00, -2.980963463632379e+00, 3.184104348782626e+04, 1.100350738438388e+04, -5.127906145829113e+01, 0.000000000000000e+00, 5.760192759138430e+02, 0.000000000000000e+00, -2.139521533188817e+03, 2.519281049218437e+01, 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