# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/344680a9-cb3a-4ee7-bc3a-588a1d73280c/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 Ba3P14 / P2_1/c (14) / materials id 1195](https://mdr.nims.go.jp/datasets/2616ca0e-7e93-435b-a1fe-72685f4ef93f) ## Fulltext elements: [P, Ba]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, 137.3]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: [-1.096479514415115e+01, -1.503805138197717e+02, -5.269738200193908e+06, -1.866415399226307e+03, -1.330539551332976e+06, -2.506750803302104e+06, 0.000000000000000e+00, 0.000000000000000e+00, 5.164521550827010e+03, -4.863689668002572e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 7.447389411646964e+03, 2.313573873841629e+06, 6.240414510145192e+07, 0.000000000000000e+00, 0.000000000000000e+00, -8.570347557127918e+02, -2.429103833884425e+06, 1.033530215923333e+08, 0.000000000000000e+00, 0.000000000000000e+00, -1.718275437392034e+03, 2.259196575421902e+06, 1.355813478312992e+08, 0.000000000000000e+00, 0.000000000000000e+00, 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