# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d552e121-e54b-4932-9a57-08e201a1a1eb/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 Er2Si2O7 / C2/m (12) / materials id 7064](https://mdr.nims.go.jp/datasets/a2f31200-3eb3-491c-89b4-bc717b831521) ## 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: [1.078451203685236e+01, -9.200306056678760e-02, 3.443527328518544e-01, 3.075154401228500e+01, 1.986584259073381e+02, 5.188362863514509e+02, 3.489980152774949e+03, 7.548625668585987e+00, 1.322371553539181e+04, 2.852936924061555e+00, 2.800263367527803e+01, 2.921628647093257e+03, 1.466980247805874e+04, 1.029090636451538e+02, 2.380243453487550e+05, 8.555617168472261e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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