# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/088f73d4-6fb9-453c-89c3-7cc3876a1a4f/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 Na2Si2O5 / Pca2_1 (29) / materials id 554856](https://mdr.nims.go.jp/datasets/10143d3b-dab9-4a76-8e78-896604f41f1e) ## Fulltext elements: [Na, Si, O]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, 16.0]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: [-1.739010476863063e+00, 9.136437746661460e+01, 1.674075232956139e+00, -3.396249064436216e+01, -8.952166500839434e-01, 1.511837096321457e+01, 1.788610418362472e+06, 5.976095667446739e+06, 1.401914602962466e+05, 6.769207817860057e+06, -9.505490785786870e+04, 5.219329260197364e+06, -2.971441105062243e+03, 2.664557483955343e+02, -5.718701628830842e+00, -1.612155819390675e+04, 8.950858701084554e+05, 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