# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/64c28ae7-b8f0-463b-9af4-81ebe34625b5/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 Ta3N5 / Cmcm (63) / materials id 27488](https://mdr.nims.go.jp/datasets/ea5ef060-fc72-47bb-b957-81146478a615) ## Fulltext elements: [Ta, N]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: [180.9, 14.01]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: [4.410295835282816e+02, -5.002835277146896e+00, 2.030035613628577e+01, -2.107809804559170e+07, 4.031395930332841e+04, 5.936733084402194e+02, 1.326401441990557e+04, -6.783804619043297e+04, -2.312922355779472e+07, -3.616892013240570e+05, -4.449298060999316e+02, 8.022763925679671e+03, 1.151453037935272e+05, 2.532143100032691e+07, 8.150641739468715e+05, 1.340616590027008e+03, -9.908122672083082e+04, 4.486112460099379e+05, -2.399356193007938e+07, 2.737425624237875e+05, 2.359358137109687e+02, 1.437154992810145e+04, 2.791453646465712e+05, -8.071038250174892e+06, -1.689048166976322e+05, -1.192632394713852e+02, -1.137960614786589e+04, 8.118959291078083e+04, 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