# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/80e2fdb8-4bb7-402b-a29a-e75a833a5adb/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 Na2Ti3O7 / P2_1/m (11) / materials id 3488](https://mdr.nims.go.jp/datasets/eb9f1359-03ca-4051-aee2-ada025c8d479) ## Fulltext elements: [O, Na, Ti]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, 22.99, 47.88]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: [1.954393238958291e+01, -7.491763274097060e-01, -8.853865387383599e-01, -2.181651133645388e+03, -1.445926122300532e+01, -6.822173964244939e+01, -4.837531973500591e+03, -1.064145856858551e+05, 4.333939523101488e+03, -2.199098188485599e+03, -9.123738331869538e+02, -6.033625489589245e+06, -9.223525399611269e+04, 5.068378837219294e+01, 5.404384680836215e+03, 2.326109246669178e+04, 0.000000000000000e+00, 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