# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4245efbf-7d8c-4e79-bea8-ceaf671f1be8/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 YClO / P4/nmm (129) / materials id 27985](https://mdr.nims.go.jp/datasets/58e1a577-e919-4d12-935c-bf63b9f6e76b) ## Fulltext elements: [Y, O, Cl]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: [88.91, 16.0, 35.45]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: [1.056225284646606e+02, 2.462399564155419e-02, 1.189833111382187e+00, 4.257331790003749e+00, 1.207714063381582e+00, 9.782082092281918e+00, 0.000000000000000e+00, 6.703698748402498e+03, 2.199984540989388e+06, 7.321436490330218e+00, 1.723601400598079e+03, -5.500176004117649e+00, 4.279811231877773e+02, 2.217022246176276e+04, -2.588762743178887e+04, 7.817042509349807e+03, -3.433669817232406e+03, 6.179094024497002e+03, 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