# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a12f6b94-7648-4f7d-abed-03e4944d1f3b/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 ErPO4 / I4_1/amd (141) / materials id 4006](https://mdr.nims.go.jp/datasets/1f812fb8-b03f-4553-9352-3f3ad3bafbb0) ## Fulltext elements: [O, P, Er]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, 30.97, 167.3]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: [6.087025353254748e-01, 1.976577606108263e-02, 1.693837700780701e-01, -1.193615324440824e+03, 7.145406919994379e+00, 7.548131760518613e+01, 2.474356761310021e+02, 1.781191201903683e+01, 5.791712232198135e+01, 5.156755655966515e-01, -1.742464415204045e+01, -3.071048089003490e+04, 1.813324999327557e+02, 4.668812333654613e+01, 6.544966325063639e+03, 1.595459922305429e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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