# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4d923782-550c-41e1-afc2-a8c7f0895be0/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 Ti2Sn3O10 / Cmm2 (35) / materials id 757375](https://mdr.nims.go.jp/datasets/5c58c48c-bcad-4e64-a08d-b4720f7b54a9) ## Fulltext elements: [Ti, Sn, 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: [47.88, 118.7, 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: [1.434060368475930e+02, 1.111362891566820e+02, -1.802136736630210e-01, 2.028074762476379e+02, 7.546682946564228e-01, 3.717977937761224e+00, -1.196517139227732e+06, 0.000000000000000e+00, 2.285420309885346e+03, -6.351009334423327e+06, 1.226248452346053e+04, 0.000000000000000e+00, -4.073537126085162e+03, 5.003770715502251e+01, 2.270049566904021e+02, -7.542597111472313e+02, 3.665707483580732e+06, -1.871225420210974e+04, 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