# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/997fc30f-d329-4cfe-aa76-e56e413b2950/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 Na5SiP3 / P2_1/c (14) / materials id 5929](https://mdr.nims.go.jp/datasets/52e21061-9dd4-41d1-8388-27d93389c3c3) ## Fulltext elements: [Na, Si, 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: [22.99, 28.09, 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: [1.299379397100042e+01, 5.741345281351705e+01, 1.330521093113003e+01, -3.758251363180532e+01, -3.031840536850624e-01, 2.472857959124767e+01, -3.626462479230859e+05, 3.934663333327222e+06, -2.821982914300150e+05, -1.393088183825820e+06, 7.043275081581109e+05, -2.012543501776005e+06, 6.020150131349439e+04, -1.032779813178561e+04, 1.846112228574929e+03, -7.585969280299572e+06, 3.350994642189011e+05, 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