# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7a774684-d4e7-4c6c-be71-4fce1d56b94b/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 Y2S3 / I-42d (122) / materials id 32891](https://mdr.nims.go.jp/datasets/4d539fe3-a644-42fc-95b9-16ffbd754fbf) ## Fulltext elements: [S, 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: [32.07, 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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [1.777077494617159e+02, -1.888877652904964e+00, -1.383467277188496e+04, -1.672905187208639e+06, -1.767031915487535e+06, 6.707624162350000e+04, 0.000000000000000e+00, 0.000000000000000e+00, 1.507454863830784e+07, 5.590625555228857e+06, -1.244609088140795e+05, 0.000000000000000e+00, 0.000000000000000e+00, -4.357959252821627e+06, 8.063355117155311e+05, 4.105035953665304e+04, 0.000000000000000e+00, 0.000000000000000e+00, 1.171316703088776e+06, -1.386600887369150e+06, 4.996125509125407e+04, 0.000000000000000e+00, 0.000000000000000e+00, -1.937230808690806e+06, -8.288626275474648e+05, -1.260664990122124e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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