# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9602496a-76f1-4f65-86c0-e07dbc006650/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 Y2Si2O7 / P2_1/c (14) / materials id 7999](https://mdr.nims.go.jp/datasets/3a89e419-6a04-4316-bc05-58ed24e24be3) ## 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: [1.135755513152951e+01, -1.399802033397761e-01, 3.820914125538076e-01, 8.346571063836645e+01, 4.581654714838712e+02, 9.280734217699120e+02, 4.071867869254868e+03, 6.287569080109258e+01, 1.409780558580993e+04, 2.944347387710570e+00, -1.149205839042989e+01, 7.518138534262768e+03, 4.834944094093721e+03, 1.262541407684488e+02, 4.193862189064603e+05, 2.637824550619587e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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