# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/56fb643b-c336-40c5-96b3-ed82ec3a52c8/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 YBO3 / Cmcm (63) / materials id 29205](https://mdr.nims.go.jp/datasets/5bcf5c76-0089-4ce1-83b5-6f211e6d114f) ## Fulltext elements: [B, O, Y]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: [10.81, 16.0, 88.91]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: [1.227913213082756e+00, -1.134444751702114e-01, 1.846735951464770e+01, 1.902311837888613e+00, 1.001982828342958e+00, -1.388729508712708e+03, -9.056235654197479e+02, 1.480849433427909e+01, -2.509465324294307e+03, 6.761232290008569e-01, 4.661256645170345e+02, 1.155802376355988e+01, -1.193500943467961e+02, 1.668148701040582e+03, -1.126490591327371e+04, 0.000000000000000e+00, 1.877551709140075e+02, 2.583563038186107e+03, 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