# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c7bd2cf9-7f3f-4aed-af1d-c7deb7ade830/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 ZnSnO3 / R3c (161) / materials id 13334](https://mdr.nims.go.jp/datasets/c005b9f8-e57b-4052-bdb3-c4832b57a1aa) ## Fulltext elements: [O, Zn, Sn]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, 65.39, 118.7]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: [2.844724006230937e+00, 1.025489351394819e-01, 1.503181972720122e-01, -7.363363293476068e+02, 3.178001875788764e+00, 1.152806359838688e+03, 3.444350499112447e+03, -1.488290765512835e+02, 2.695917858262268e+02, 7.890050091907291e+00, -1.158963561602466e+02, 1.984058522079622e+05, -9.548109041988190e+02, 1.633073762330476e+01, 1.099478980175014e+03, -3.346901488774263e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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