# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0c86b16f-5c45-4ddc-89db-c56bd37dfbfd/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 TmHO2 / Pnma (62) / materials id 754004](https://mdr.nims.go.jp/datasets/d802234f-e303-416f-b966-50ee5a5c7984) ## Fulltext elements: [Tm, H, 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: [168.9, 1.008, 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: [1.516380559136279e+03, 6.875357950508757e+00, 1.754168365809680e+00, 4.255774574892008e+01, -1.235340459181081e+00, -2.453434223007713e+00, 0.000000000000000e+00, 6.725984703626765e+06, -2.725116374542156e+05, -7.634052261306767e+03, 2.595124339460109e+03, -1.050010731692744e+05, 1.850265996489616e+02, 1.588806597309259e+02, -8.100945009714707e+01, 1.440086877659025e+04, -1.970859631476385e+05, -3.540160409772163e+02, 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