# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0231cc67-69cc-437f-9b34-e96f04618131/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 MoSe2 / R3m (160) / materials id 7581](https://mdr.nims.go.jp/datasets/bbc10aee-21c1-4ab2-8408-f9e0107d9b57) ## Fulltext elements: [Se, Mo]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: [78.96, 95.94]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: [1.336622696345461e+02, 9.334209644994175e-01, 1.723476129596788e+01, -1.686128864177715e+06, 5.254211717350298e+04, 1.218996056201785e+02, -1.644965747514121e+05, 0.000000000000000e+00, 1.240131336137690e+06, 2.195044460612489e+05, 3.257827842211243e+03, -1.114170206168049e+06, 0.000000000000000e+00, 1.121201156875622e+07, -1.819978789388436e+06, -2.706510876512684e+03, 3.561814995897846e+06, 0.000000000000000e+00, 8.022840100763334e+05, 3.363558923073086e+05, -5.065667256362199e+02, -2.202855688367190e+06, 0.000000000000000e+00, 1.696913574947415e+06, 8.578071459240744e+04, -4.814613069592935e+02, -7.141171818236409e+04, 0.000000000000000e+00, 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