# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/695f5d3c-da5d-4861-a9a0-6f61abf41e38/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 P2Pd / C2/c (15) / materials id 28266](https://mdr.nims.go.jp/datasets/5c8bf8d3-d73d-4153-a563-9353066fc220) ## Fulltext elements: [P, Pd]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, 106.4]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [6.306264602202509e-01, -7.192454532862305e-02, -6.901572071419019e+01, -1.862054504952684e+02, -2.072464256751773e+03, 6.527877425131084e+02, -2.342599115956752e+05, 5.286541891180773e+05, -2.344299879297351e+02, -3.011187229815680e+03, -2.348925666573011e+03, -1.529951152871649e+06, 7.624598019353990e+05, 9.160056574776686e+02, 4.584226104546225e+03, -3.295624999568463e+02, 1.347897987309551e+05, 8.128725319639837e+05, 3.366193609914012e+01, -1.089323500358156e+03, 1.101843221816750e+03, -6.443508833771376e+04, 7.618330224134475e+04, 1.921874759633230e+02, 2.818486355421783e+03, -1.458366962891572e+02, -1.586325912943244e+05, -7.492287550288287e+05, 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