# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/29af8506-2c7f-4f1b-84dc-7c989ede1061/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 SrPbO3 / Pnma (62) / materials id 20489](https://mdr.nims.go.jp/datasets/e49008f8-ac16-4428-8bd8-92e7c5adc8b1) ## Fulltext elements: [O, Sr, Pb]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, 87.62, 207.2]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: [1.126840234692789e+01, 4.016171062314499e-01, 8.467421100579746e-02, 6.491992770085518e+03, 2.872581647920762e+01, -2.313310102410593e+04, 8.760697552269345e+01, 2.275342432012106e+04, 2.796067390125257e+03, 4.405335991166435e+02, -1.446542548097908e+02, 0.000000000000000e+00, 1.830137294283089e+05, 1.504177239887443e+01, 1.478552015825524e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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