# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5f901947-d10e-423d-936c-5a7aff9f801e/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 DyHO2 / Pmn2_1 (31) / materials id 777422](https://mdr.nims.go.jp/datasets/eede724d-2a41-4576-9a89-ff4c447e0343) ## Fulltext elements: [Dy, 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: [162.5, 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: [1.988479165961308e+03, 2.789468492081910e+00, 1.147691838806891e+00, 6.642880886424848e+02, -4.808127495339414e-01, 2.025659906323177e+00, 0.000000000000000e+00, 2.080379439133623e+06, 6.509936168622796e+05, 3.237221098118476e+03, 3.056789513281120e+03, 1.526244128739233e+06, -3.894970778404525e+01, 9.426139505306686e+01, -5.102000250485726e+01, 1.387133229942641e+03, 0.000000000000000e+00, -1.094993485126413e+05, 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