# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0e03ac7c-0fc6-4d8a-b78f-8d021f3cf0c2/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 Ti(SiO3)2 / Pbca (61) / materials id 766596](https://mdr.nims.go.jp/datasets/98eb61cc-ef09-42d2-bce9-ac8d0e5509f2) ## Fulltext elements: [Ti, Si, O]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: [47.88, 28.09, 16.0]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: [-5.868378199708650e+02, -9.813325947939573e+01, -5.159109271432938e-01, 1.041998323038417e+02, -1.215299914626277e+00, 1.866833766987701e+01, 0.000000000000000e+00, 1.400518254149227e+07, -1.629773103849611e+04, -2.644611298136623e+07, -6.272712109845838e+04, 1.370514149511427e+07, -4.547866171119508e+04, 9.830588733809522e+01, -4.169429096600042e+01, 2.748039395386937e+03, 3.743112765066591e+06, 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