# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/dd11eeec-41af-419e-9f7d-152ffaec4781/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 YAgO2 / P6_3/mmc (194) / materials id 30250](https://mdr.nims.go.jp/datasets/7abcee33-0b7d-4414-bda6-69200d332e66) ## Fulltext elements: [Ag, Y, 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: [107.9, 88.91, 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: [-3.938251791460407e+02, 4.147724686942586e+02, 1.702655122939075e-01, 4.724094387383916e+02, 1.791287797598344e-01, 3.744880968322022e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.003903296681465e+04, 0.000000000000000e+00, 1.137239760591091e+05, 0.000000000000000e+00, 4.328230616486509e+05, 3.630665397623417e+01, -6.728483321666670e+01, 8.643614524946785e+02, 0.000000000000000e+00, 1.326149085060408e+05, 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