# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/83a83ffa-96b3-431b-a794-a54c5adc15f7/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 Li3PO4 / Pmn2_1 (31) / materials id 13725](https://mdr.nims.go.jp/datasets/555ed139-4fda-485a-9caf-3e6ce41f4986) ## Fulltext elements: [Li, O, P]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: [6.941, 16.0, 30.97]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: [1.078379078140638e+01, -2.263998288267706e-03, 7.988431621778279e-01, 1.580098138993575e+00, -5.597011656711285e-02, -4.630044723101894e+04, -4.168529712719032e+03, 6.475712661553337e+02, 2.900891386484353e+04, 4.306853208341971e+00, -1.386211272892029e+03, 9.016626701168806e+01, -2.856895758793893e+01, 2.871372402040817e+04, 4.308005105723100e+02, 0.000000000000000e+00, 9.410918893118046e+02, 4.333627099645975e+01, 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