# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a57f0a93-c8ab-45f2-a17b-78a884b4ca1e/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 K5Se3 / I4/m (87) / materials id 755633](https://mdr.nims.go.jp/datasets/60b2bc51-b7fa-4f3f-afda-92362b6c8ec5) ## Fulltext elements: [K, Se]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: [39.1, 78.96]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: [-1.559713316324998e+01, 6.742657282408574e+01, 1.864727637031589e+00, 2.597959544614035e+06, -3.045636394514333e+06, -2.653327439203502e+05, -8.765320274670863e+03, 9.635761524657223e+02, -4.135767048044523e+05, 0.000000000000000e+00, -1.003270838982241e+07, 3.649978144597382e+05, 7.457667782835526e+02, 6.596344952580474e+05, 0.000000000000000e+00, -2.185198333425641e+06, 3.052176102774420e+05, 4.359378225274675e+02, -9.407858730115407e+05, 0.000000000000000e+00, 7.968721858355696e+05, -4.531941290922767e+05, 4.818165855869437e+02, -3.513749875531988e+05, -2.185684940703371e+06, -3.714111654154006e+06, 6.271016467999341e+05, -3.319964844017608e+02, 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