# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2c83ac0f-21f9-437a-aeb9-e4e9d73f45cd/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 Y2SiO5 / C2/c (15) / materials id 3520](https://mdr.nims.go.jp/datasets/700e48a8-230e-4f83-a3ed-0041ae981a64) ## Fulltext elements: [O, Si, 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: [16.0, 28.09, 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: 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: [3.443009881624443e+00, -4.075607269852491e-01, 1.400084725879031e+00, -2.394089576219767e+04, 8.829861674059252e+01, 1.071590491622479e+03, -5.532019727916730e+03, 8.807905325657307e+02, 1.568072531444228e+04, 6.861563667891827e+00, 2.875552380855044e+01, -6.084406415471817e+06, -4.089919123876982e+03, 2.363779437484556e+02, 5.096321662394952e+04, 2.011965947272095e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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