# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c92e0079-9dab-4cde-9870-424ba24231fe/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 Lu2SiO5 / C2/c (15) / materials id 16969](https://mdr.nims.go.jp/datasets/38a3926b-93df-46ed-be42-d5f6a54814b6) ## Fulltext elements: [O, Si, Lu]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, 175.0]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: [9.747736392593145e+00, -2.488160457075521e-01, 2.847186230924398e+00, -2.764215055044241e+04, 1.061796782561868e+02, 8.654155989092094e+02, -9.866844642182023e+03, 1.129265813495227e+03, 1.365063333231080e+04, 7.920109015936055e+00, -1.967034868177842e+02, -3.138604160632403e+05, -1.479558410983846e+03, 6.474451099434376e+01, 7.400281357127636e+04, 1.517509077334605e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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