# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/052314d0-d462-49d4-abad-cd659a7114bb/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 Ga3NO3 / R-3m (166) / materials id 754781](https://mdr.nims.go.jp/datasets/9bb61a93-206a-40e3-84c2-5f3f7a482f0f) ## Fulltext elements: [Ga, N, 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: [69.72, 14.01, 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: [1.771699695621109e+01, 1.014993046800587e-01, 1.273322172330997e-01, -3.059215481801290e+01, 6.025873348215944e-01, 1.159413849569338e+00, 3.031005579959388e+04, 1.321896483500754e+02, -9.765231990357748e+01, 3.758327002696839e+00, -1.100371940193915e+01, -4.079616321292337e+03, 2.998458149203516e+01, 5.902235983174393e+00, -1.385955070244150e+01, -3.457920395220186e+01, 0.000000000000000e+00, 0.000000000000000e+00, 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