# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/26a82395-04b1-4060-acea-a19fd2e01a0d/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 K2NiP2 / Cmcm (63) / materials id 9672](https://mdr.nims.go.jp/datasets/b1dcdb42-1294-40ca-a380-74f44dca5c26) ## Fulltext elements: [P, K, Ni]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: [30.97, 39.1, 58.69]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: [2.274312979157573e-01, 3.534006531858539e+01, 9.156404641600062e-02, 2.424355204949996e+02, 3.803048214883224e+00, 4.983100513201474e+00, 1.518464550039321e+02, -9.957248917783858e+03, -7.967509929911784e+00, -5.646194376316071e+05, 2.453959697380523e+04, 0.000000000000000e+00, 7.975645208868406e+05, 5.126400246162637e+01, 1.971416134731230e+03, 4.442624261440830e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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