# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e98d0cc9-410d-4acc-88e0-2329aff75648/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 Sr2TaN3 / C2/c (15) / materials id 17518](https://mdr.nims.go.jp/datasets/e755f97a-45bc-441c-ae1b-d9ebdb8e2f15) ## Fulltext elements: [N, Sr, Ta]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: [14.01, 87.62, 180.9]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: [5.828215956598308e+01, -3.302863530100670e-01, 1.145054708632974e-01, 9.801734380675933e+02, 1.641348830293924e+02, -6.007623775902275e+02, 2.453980233292653e+05, 1.466827065725879e+05, 4.370157279238385e+03, -1.388318791213304e+03, -7.873723540766348e+02, -5.215047673632530e+05, -5.091909475928088e+03, 2.708818879579511e+01, 5.484963254427908e+04, 6.164595682554094e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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