# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/dde2841c-ad20-4d7f-acd3-13f0fc1ea543/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 Sr3(InP2)2 / Pnnm (58) / materials id 28324](https://mdr.nims.go.jp/datasets/b3a35d45-d803-415a-a6d1-be2f4126a9ea) ## Fulltext elements: [P, Sr, In]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, 87.62, 114.8]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: [1.911604941208145e+04, 2.417118742455567e+01, 1.266487279408481e+00, 6.717931396807534e+02, 6.740779177623667e+02, 6.274615173549373e+01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.538351379883578e+05, 5.483153876659182e+04, 0.000000000000000e+00, 0.000000000000000e+00, 3.738430887081474e+02, 8.724248043174850e+05, 1.120605369830080e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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