# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f7095526-ce25-4e55-a3ba-c3c4133e5875/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 Li3P / P6_3/mmc (194) / materials id 736](https://mdr.nims.go.jp/datasets/81b807af-7f78-4fd2-be4e-d660b7b156cd) ## Fulltext elements: [Li, P]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: [6.941, 30.97]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: [1.450760179044588e+00, 2.182278559516226e+00, -1.383348749905239e+05, -6.677415877961461e+01, -6.145476644327658e+02, 3.373105908387091e+01, 0.000000000000000e+00, 0.000000000000000e+00, 4.858327273267137e+02, -1.055103873252528e+03, 7.880923107847967e+02, 0.000000000000000e+00, 0.000000000000000e+00, -5.858982408753585e+02, -8.656813659925225e+02, 1.042095801653551e+03, 0.000000000000000e+00, 0.000000000000000e+00, 3.370570974275286e+01, 3.721736745555198e+02, -6.139883093417008e+02, 0.000000000000000e+00, 0.000000000000000e+00, -3.304131961215291e+02, 6.207341326110768e+02, -8.044976773553908e+01, 0.000000000000000e+00, 0.000000000000000e+00, 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