# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/10c398f0-e9ce-4d2c-8e33-b1897f6d172d/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 Li5TiP3 / C2/c (15) / materials id 675800](https://mdr.nims.go.jp/datasets/102f39a5-a223-4ef5-9bd8-c546bd9f6ec7) ## Fulltext elements: [Li, Ti, P]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: [6.941, 47.88, 30.97]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: [3.116281009303943e+00, 9.297299435717859e+00, 1.030253048182286e+00, 0.000000000000000e+00, 1.673530150189649e-02, 1.043603166631146e+03, -3.550453807915838e+02, -1.774247051555045e+04, -1.194650268868920e+03, 2.523141141253419e+04, 3.853527467257740e+03, 0.000000000000000e+00, -1.951152009556651e+03, 1.171512876086767e+02, -9.308831222429648e+02, 6.564535247169258e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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