# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5f0cbe16-fa71-4676-b40d-689a523dba65/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 Er2SiO5 / P2_1/c (14) / materials id 16993](https://mdr.nims.go.jp/datasets/84634073-7e96-4457-a1ed-d435b3e8299c) ## Fulltext elements: [O, Si, Er]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, 167.3]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: [2.341756757860657e+01, -3.942766372098934e-01, 2.184537459290223e+00, 2.542909520453486e+03, 8.371439647067187e+01, 1.868837951928178e+02, -4.465449510383699e+03, 9.586991448466791e+02, 5.660157621682724e+03, 8.423922488872932e+00, -6.995794657622030e+02, -4.434076341750424e+05, 5.671606162440197e+01, 1.506683371635379e+02, 2.750036339452078e+04, -2.023958705389110e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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