# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0781dfa1-a0e3-4cbc-b0d8-8c4fe5908fe2/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 Zn(NO3)2 / Pa-3 (205) / materials id 772617](https://mdr.nims.go.jp/datasets/fb0d0912-b67c-4d35-a6b9-2b87109655fb) ## Fulltext elements: [Zn, N, O]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: [65.39, 14.01, 16.0]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: [0.000000000000000e+00, 3.963343549639122e+01, 1.054150409950859e-01, 2.704998832904904e+03, -1.057561654652770e-01, 3.140795816466834e-01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.061030973627659e+05, 3.635697023843253e+03, 0.000000000000000e+00, -2.690899297983584e+03, 7.571515621079752e+00, 2.200047401721060e+01, -2.069057995427242e+02, 0.000000000000000e+00, -5.823581797375233e+04, 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