# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/83b3dc57-a5b6-45ce-97a0-2e28cd0a5eb9/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 Na2Ge2O5 / Pna2_1 (33) / materials id 771248](https://mdr.nims.go.jp/datasets/f02fdfeb-bbef-4606-a38b-29668826ed8f) ## Fulltext elements: [Na, Ge, 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, 72.61, 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: [4.274158940317418e+00, 7.886677024030874e+01, 1.195093513794387e+00, 2.091893321708292e+02, -5.057647461264191e-01, 5.466742779211463e+00, -1.130432081701574e+06, 6.741368833861276e+06, -6.961266989188248e+04, 4.804691728830687e+06, -2.932089977313425e+04, 1.363007858233171e+07, 1.761043064811430e+04, 8.401345191683662e+01, -3.593902845597716e+02, -1.719168490702554e+04, -6.141770992370358e+06, 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