# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c588ac20-a88d-43ae-94c9-32e2f4fd9a2a/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 Mg3(AsO4)2 / Cmce (64) / materials id 770741](https://mdr.nims.go.jp/datasets/c5527462-738f-430a-b5c3-c7ed7ce58bcf) ## Fulltext elements: [Mg, As, 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: [24.31, 74.92, 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: [1.886505184112665e+01, -6.557322986959228e+01, 2.368033624347306e-01, 6.426000577157539e+01, -2.798420203222894e-02, 4.248380436256896e+00, 1.046339502246821e+05, -8.421265995054305e+06, 7.350749159513060e+02, -1.131993225492859e+07, 2.188049044991171e+04, 0.000000000000000e+00, 5.208636742274290e+03, 1.772253391454596e+01, -1.806672737986825e+01, 1.596208360134538e+03, 0.000000000000000e+00, -1.710039544949157e+03, 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