# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0f1c6b7e-c5c9-45c0-b211-6360ba2e901a/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 As2Se3 / P2_1/c (14) / materials id 909](https://mdr.nims.go.jp/datasets/45994b4b-fdb1-4ae7-ac83-75190488b033) ## Fulltext elements: [As, Se]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: [74.92, 78.96]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: [6.288026088556336e+02, -5.050583931053806e+00, -4.923936415201297e+01, 0.000000000000000e+00, -1.184680585766888e+06, -7.535826951318744e+03, -1.014985973585962e+06, 0.000000000000000e+00, 0.000000000000000e+00, -6.657626018006943e+06, 1.200996992112804e+04, 1.712972144062288e+06, 0.000000000000000e+00, 0.000000000000000e+00, -3.410067014861595e+06, 5.661438833192072e+04, 2.798544135823145e+06, 0.000000000000000e+00, 0.000000000000000e+00, -1.121085002988095e+06, -4.816879075535030e+03, -4.659395380671458e+06, 0.000000000000000e+00, 0.000000000000000e+00, -1.718548369130772e+06, 1.037560724334760e+03, 3.647275097084193e+06, 0.000000000000000e+00, 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