# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e6d76827-1e52-45a8-93ba-12aca21bfa2b/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 NiP2 / C2/c (15) / materials id 486](https://mdr.nims.go.jp/datasets/37a88b05-dac6-4ad1-9060-c8f8035cf769) ## Fulltext elements: [P, Ni]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: [30.97, 58.69]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [6.481767660814830e-01, 5.693083678553535e-01, -1.622795020565350e+01, 8.568899640543802e+01, -1.184457197298179e+02, 1.033143936821218e+02, -3.892258849854296e+04, 1.537182694033523e+05, 7.069882801794232e+01, -1.574810286662384e+02, 1.325043565062497e+02, -1.166737058211048e+05, -3.873926395492816e+05, 4.203690035848028e+02, 3.172170024473193e+02, 8.164820412865551e-01, 4.160357313865538e+04, 1.779949824141306e+05, 5.076218476065704e+01, -1.183198279190885e+02, 2.307486609343894e+02, 7.860334660570534e+03, -1.116020253841637e+05, -1.983634601404205e+01, 8.890189691947339e+01, -4.649900904682179e+01, 4.928382287067901e+04, -9.393062093623831e+04, 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