# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c3f352c4-eb6a-49cf-8452-0bcafa605b55/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 YbCO3 / Pnma (62) / materials id 755213](https://mdr.nims.go.jp/datasets/12e45764-049a-4ae6-9f0b-725c8364e68e) ## Fulltext elements: [Yb, C, 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: [173.0, 12.01, 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: [-5.312908998165981e+02, 7.263814836899043e+00, 1.691056810236502e+00, 6.078004068577493e+00, -1.529479163882929e-01, 6.845271776847641e-01, 0.000000000000000e+00, 0.000000000000000e+00, -1.876926141207611e+05, -1.153559176376260e+04, 3.569334160961807e+03, -8.830339044570322e+04, 3.047800922036847e+01, 2.749779667124002e+02, -1.651583583000051e+01, 4.113748859078718e+02, -4.860380129143036e+04, 3.010935012833910e+01, 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