# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f58c8d7d-64cf-4604-b7ab-e510dbf38ddb/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 Zn3(AsO4)2 / P2_1/c (14) / materials id 16834](https://mdr.nims.go.jp/datasets/044f1bb3-b02d-462c-b76b-a32d284af697) ## Fulltext elements: [O, Zn, As]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: [16.0, 65.39, 74.92]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: [1.122818772953714e+01, 3.777553408314076e-02, 4.877373461701931e-02, -1.747813847657061e+01, -1.316263008203676e+01, -2.427982328086563e+05, -4.336187638237769e+03, 6.249400165299247e+03, 3.265216259624236e+02, 1.273800455739134e+01, -2.143891907620086e+02, 8.526367337942107e+03, 1.901070285466866e+03, 7.678825846897779e+00, 7.858283377093712e+02, 0.000000000000000e+00, 5.806803145092052e+05, 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