# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/fc759a7c-e760-443c-8e61-533e28b2cb6f/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 Y2Cl3 / C2/m (12) / materials id 27678](https://mdr.nims.go.jp/datasets/20a4821a-451b-457b-b722-ef6018e21e72) ## Fulltext elements: [Cl, Y]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: [35.45, 88.91]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: [3.206831023728714e+02, 5.035136462546077e+00, 6.572760491369817e+02, -1.629697697824099e+07, -3.961873827455768e+06, -8.793907841447883e+03, -4.388621663113293e+06, 0.000000000000000e+00, 0.000000000000000e+00, -6.303027575207684e+06, 1.165617791797184e+05, 1.171766373363232e+07, 0.000000000000000e+00, 0.000000000000000e+00, 5.925973372727419e+06, 4.533199455398951e+04, -3.794223664842634e+06, 0.000000000000000e+00, 0.000000000000000e+00, -2.388490823630057e+06, -6.894408981690129e+03, 3.767700198201708e+06, 0.000000000000000e+00, 0.000000000000000e+00, -8.296053993006553e+06, 6.752737380294638e+03, -2.450229035967287e+07, 0.000000000000000e+00, 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