# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/affb48da-2735-4aaa-8128-6b7bd68ee173/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 Ca3(GeP2)2 / P2_1/c (14) / materials id 17817](https://mdr.nims.go.jp/datasets/710f99b0-4120-442f-a664-5d8cc074b45d) ## Fulltext elements: [P, Ca, Ge]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: [30.97, 40.08, 72.61]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: [3.134279736029752e+03, -1.129779327154757e+01, 2.820820323108596e-01, 8.115845067652959e+03, 6.567533815189840e+01, 2.726845284049488e+00, 0.000000000000000e+00, 0.000000000000000e+00, -9.234924755029349e+06, 1.415984516401850e+05, 1.573517389417181e+04, 0.000000000000000e+00, -1.949630290852607e+06, -4.913637097672075e+02, -8.097910788533080e+04, -5.469511936838737e+02, 0.000000000000000e+00, 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