# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/15479e2a-c742-4bce-aa79-f892678f64f3/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 LiYO2 / P2_1/c (14) / materials id 7020](https://mdr.nims.go.jp/datasets/083f6b1c-4766-401e-bdde-ffc715766208) ## Fulltext elements: [Li, O, Y]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, 16.0, 88.91]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: [6.244628021352344e+01, -1.563614238306480e-03, 9.020784058472341e+00, 5.858334615441642e+00, 1.539975861194478e+00, 3.091350405007491e+02, 0.000000000000000e+00, 2.226170919243426e+04, 7.549044785550359e+05, 6.398093158150204e+00, -5.039205022153637e+02, 3.773597152447747e+03, 3.329031809587779e+01, -3.399858105964588e+04, 3.356311996880604e+03, 2.218992503957129e+06, -3.317330353636909e+04, 1.165998911809188e+04, 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