# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/53d88053-0e85-40da-b71c-f6b3c8e4498b/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 SrPr2O4 / Pnma (62) / materials id 29605](https://mdr.nims.go.jp/datasets/36fc3724-8671-43d8-9443-020e97da7641) ## Fulltext elements: [Sr, Pr, O]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: [87.62, 140.9, 16.0]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: [-1.239427918988304e+03, 4.222260078015486e+01, -1.576065303941556e+00, 1.842615789433198e+03, 1.767562690614854e+00, 2.681492944387523e+01, 0.000000000000000e+00, 0.000000000000000e+00, 1.884507266657943e+06, 0.000000000000000e+00, 5.168907477179616e+05, 0.000000000000000e+00, -2.422502289495434e+04, -7.623039948240389e+02, 1.161193912284084e+03, 8.536683189286295e+04, 0.000000000000000e+00, -5.324801640919915e+05, 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