# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4a139388-71be-4e29-88df-9debd3210065/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 TmPO4 / I4_1/amd (141) / materials id 5884](https://mdr.nims.go.jp/datasets/ea32e121-7391-48bd-b671-9eef95d1fd47) ## Fulltext elements: [O, P, Tm]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: [16.0, 30.97, 168.9]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: [7.861277108526388e-01, 3.462178023508078e-02, 2.825145766278547e-01, -7.063365011596582e+02, 6.226208842628563e+00, -1.217548133972098e+03, 2.459083208435462e+02, 2.746038877638579e+01, 2.077366974535232e+02, 9.853692943316232e-01, 3.446439214357232e+01, -2.583276589920246e+04, 3.686687756006928e+01, 7.353813084872554e+01, 8.619159524661116e+03, -3.775775978242717e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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