# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/53999f70-06c0-400a-8aec-e2da846077bd/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 NaCO2 / P2_1/c (14) / materials id 4534](https://mdr.nims.go.jp/datasets/0bad35c0-71bb-472a-a1d7-88ac4fd40f30) ## Fulltext elements: [C, O, Na]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: [12.01, 16.0, 22.99]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: [1.116065550129032e-01, -3.053198486445158e-01, 2.038324500580077e+01, 7.355465070789645e-01, 7.730501250276254e-01, 2.759803402706726e+01, 2.721669779912517e+00, 4.216929417557515e+00, -4.999948952181784e+02, -1.604177109487602e+00, -1.323268891404349e+02, -3.536236271148073e+01, 2.032788363442402e+01, 5.714144818849040e+05, -3.355093474614885e+03, -1.125442443600934e+06, -1.461230243018738e+02, 1.473407702897097e+03, 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