# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ae422684-7762-462d-9f10-b607ddb60cbe/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 Nd2TiO5 / Pnma (62) / materials id 17904](https://mdr.nims.go.jp/datasets/1c2bc173-683a-4863-8887-8266df7b17e9) ## Fulltext elements: [O, Ti, Nd]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, 47.88, 144.2]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: [1.193050154656181e+01, -4.283962834547160e-01, 1.561105310649587e-01, -3.257875403210947e+03, -5.756328711185716e+00, 2.164746639003985e+04, 3.633929716543502e+03, 2.460019380146126e+03, 5.554765447336810e+03, 1.300649944681579e+01, -8.215213633984829e+02, 1.166429117399494e+07, 9.458189309554598e+04, -3.820048701244268e+02, -8.484648173953953e+05, 1.631056378869608e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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