# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/43344aba-921d-482c-accf-9ad7430adbc6/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 Na6Ti2O7 / C2/c (15) / materials id 777423](https://mdr.nims.go.jp/datasets/66d1cb3f-84cd-4ae6-922e-7a5aa3e8bbd3) ## Fulltext elements: [Na, Ti, 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: [22.99, 47.88, 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: [1.519373244417696e+02, 2.735746214425469e+01, 5.059497733570938e-01, 1.503977725158245e+02, -1.601918213685969e-01, 4.285669984190135e+01, 5.992502237307962e+04, -5.104670981575103e+06, 6.538460764825426e+04, -2.677504825025615e+05, 3.711576072350502e+04, 8.819541269205679e+05, 3.008328021941114e+03, 3.206738418915543e+02, -6.509379496275338e+02, 1.726520430110470e+04, 7.122780455844608e+05, 1.473902115269298e+04, 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