# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7f124cf9-8551-4249-8d4e-face0a85b5d0/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 Cd3(AsO4)2 / P2_1/c (14) / materials id 13602](https://mdr.nims.go.jp/datasets/e579f7d1-09eb-4621-9ea4-db1293fd03d5) ## Fulltext elements: [O, As, Cd]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: [16.0, 74.92, 112.4]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: [1.076124406856501e+01, -7.323397968187537e-03, 9.901172563529979e-01, 6.718828618991762e+03, -3.361293711244171e+01, 8.786525223080034e+02, -1.614104937936063e+04, 3.144464830836311e+02, 4.042596587058982e+03, 4.229565220342298e+00, -3.864410476333324e+01, 1.580322743798487e+06, 4.113660176527838e+02, 1.372489718128572e+02, 1.173318957268965e+05, -4.528322111716573e+04, 0.000000000000000e+00, 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