# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3914c053-b01d-4648-a35c-f3904f2c77dd/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 BaN3Cl / P2_1/m (11) / materials id 569812](https://mdr.nims.go.jp/datasets/4635032f-2aa1-4d81-923e-0da38768c30a) ## Fulltext elements: [Ba, N, 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: [137.3, 14.01, 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: [-8.211878357066005e+06, -6.620404546885987e+01, 1.596695687496822e+01, -2.874257650271050e+00, -1.742318023346174e+01, -6.529521610659192e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.741419926161938e+05, -1.556945262765390e+06, 4.595228826788486e+03, -5.484874849819445e+06, -1.959731430714972e+05, 4.681396555723006e+06, 0.000000000000000e+00, -2.109349168429745e+01, 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