# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1956e7c7-4307-447c-b729-8aa565340ad6/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 Zn(PO3)2 / C2/c (15) / materials id 8230](https://mdr.nims.go.jp/datasets/7ad71f37-5866-4fb4-9fbd-3a6544635863) ## Fulltext elements: [O, P, Zn]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, 30.97, 65.39]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: [5.066189946305696e+00, -1.842061544602776e-01, 1.979049037819276e-01, 1.170388657243335e+01, 2.066901736158292e+01, -4.235114367403384e+01, 1.712973217139953e+03, 7.578532582459023e+00, -2.209628313017430e+03, 3.946713926685260e+00, -9.772786289747437e+01, 1.829333012774186e+03, 2.009198424491885e+03, 2.833327804412020e+01, 1.962679548064783e+04, 1.690152992865954e+04, -6.718722568414171e+04, 4.165051248724003e+05, 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