# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6d613b77-5d07-4d9e-ab4d-2a42174a4e9e/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 LaPO4 / P2_1/c (14) / materials id 3962](https://mdr.nims.go.jp/datasets/1e078a2c-d232-46d2-a3a3-0ddf0b46bbba) ## Fulltext elements: [O, P, La]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, 30.97, 138.9]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: [1.670338450736907e+00, -8.893023082767157e-02, 5.950306447795359e-01, -5.734945963046922e+03, -1.445740287134018e+02, 1.846574402685796e+04, 1.492326021353922e+01, 1.273422745968190e+02, 4.367035257179084e+03, 1.736342082097770e+00, 9.446542078827648e+01, -1.597425825143285e+05, -1.010368300234299e+03, -6.575659100941051e+02, 3.769664807061331e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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