# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/58b16def-d29b-4e88-9134-2c454fd55a41/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 Li3As / P6_3/mmc (194) / materials id 757](https://mdr.nims.go.jp/datasets/5ef6a150-34d3-4075-ad57-86fff50a772a) ## Fulltext elements: [Li, As]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, 74.92]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: [1.713610239818124e+00, 2.169888088357304e+00, -2.342786903136993e+05, -2.483993709212045e+02, -5.458278986008322e+02, 4.399746244316751e+02, 0.000000000000000e+00, 0.000000000000000e+00, 6.029723072529783e+02, -6.666171035753236e+01, 3.277039907486194e+03, 0.000000000000000e+00, 0.000000000000000e+00, -1.931078737225382e+02, 8.071678446299572e+02, 2.719854729744512e+02, 0.000000000000000e+00, 0.000000000000000e+00, 7.937639694982734e+01, -6.228516591529322e+00, -1.904254573727027e+03, 0.000000000000000e+00, 0.000000000000000e+00, 6.282553785787430e+02, 3.309107662092837e+02, -5.683850842667412e+02, 0.000000000000000e+00, 0.000000000000000e+00, -2.075438871772943e+02, 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