# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/fd27504a-ed4f-494a-b3d5-3d35e7cd3d81/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 InPO4 / Cmcm (63) / materials id 7566](https://mdr.nims.go.jp/datasets/a5bf5f3f-2602-45a5-bb5d-f6b9c5198029) ## Fulltext elements: [O, P, In]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: [16.0, 30.97, 114.8]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: [1.265234390940747e+00, 2.870707203771506e-03, 4.649965771801566e-01, 2.137597981229021e+04, -1.333333532755788e+01, 6.532056842169151e+02, 1.465847809534084e+03, 1.008807881592907e+02, 1.840714828960173e+03, 1.878350880520820e+00, -1.541593823011906e+01, -1.205115025742276e+06, 1.138524896459562e+04, 5.500640274156387e+01, 3.483743080629686e+04, 6.276273154898498e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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