# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b15dba91-d379-4c36-b59d-fe954f75ac62/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 LiAs / P2_1/c (14) / materials id 7943](https://mdr.nims.go.jp/datasets/e393ee15-4d1f-4783-8564-caa23b081bf4) ## 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: [3.492674934715190e+01, -1.909815840680738e+01, 2.966690546486991e+00, 1.178336580107573e+05, 1.231462223417599e+05, -6.197009874076847e+03, 5.065601177292313e+03, -2.747427791305616e+04, 1.477084305750269e+04, -1.224188244366361e+05, 4.866527982105383e+02, 3.735601996753011e+04, 4.035432489029496e+04, 1.399012399626951e+05, -7.926685045386516e+05, 5.367303589151854e+04, -9.427095298770992e+03, 2.366861954941204e+04, 1.080860719947714e+06, 3.131067423548011e+05, 7.756802564774702e+04, -3.067728788321832e+04, -6.225397385562615e+03, 1.221778183568869e+05, 1.982824242664268e+05, -1.087604213503461e+04, -7.254066520925776e+03, 1.408011959804872e+03, 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