# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/bbae8599-cf3d-4bcb-bbb8-075c0cb5d54b/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 MgUO4 / Imma (74) / materials id 7858](https://mdr.nims.go.jp/datasets/9e67f39c-5ce6-4714-bf8c-0969d0ce3076) ## Fulltext elements: [O, Mg, U]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, 24.31, 238.0]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: [9.741592871133834e-01, 3.471760359519182e-02, 3.953140650394311e-01, -1.707031420261944e+01, 1.494893923550968e+02, 4.111581140837995e+02, -3.316272841191838e+03, 3.023608268772938e+02, 1.670616864572447e+03, 8.776819911407200e+00, 2.824856316844344e+02, 2.776117210595554e+04, 7.774791732185925e+04, 3.608716358507832e+01, 2.674163566851070e+04, 1.257065017203225e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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