# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/85a95f26-0a7c-4ca0-929d-7b73a7b92aa9/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 Ca2Sb2O7 / Imma (74) / materials id 16280](https://mdr.nims.go.jp/datasets/b05b2729-949c-4636-b00a-197c3e1f25fb) ## Fulltext elements: [O, Ca, Sb]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: [16.0, 40.08, 121.8]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: 6type_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: [0, 2] 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]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [5.051688788192649e+00, 4.152533818394127e-01, 7.475428550838017e-02, -2.513357979413800e+02, 1.940813107314044e+03, -8.636714250201628e+01, 9.902903674664365e+02, 4.288567105320715e+03, -1.256594061365271e+02, 1.144031090880193e+02, -2.090921296826543e+02, -2.878753947167995e+04, 2.768767723347136e+05, 5.164168823827644e+00, 1.190168076618804e+05, 1.468065203680923e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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