# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/cf150a53-8ae7-4008-9a2b-62b3f6ba3755/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 ZrB2O5 / P2_1/c (14) / materials id 559571](https://mdr.nims.go.jp/datasets/ac5f8c4c-47c1-4d49-be59-c368c45699e0) ## Fulltext elements: [Zr, B, 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: [91.22, 10.81, 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: [3.602012880213375e+02, 4.868030426258067e+01, 5.234070288524073e-01, 8.783784193190304e+00, -3.199661907806693e-01, 2.635759574536457e+00, 0.000000000000000e+00, -8.604809941193936e+06, 1.244956143712738e+05, -5.228502789657995e+04, 2.163281334242310e+04, 2.800845824601180e+04, 5.949188535465734e+02, 9.772723196150821e+01, -7.719721239570815e+01, 3.101106766936942e+03, 1.473112476021300e+04, 2.001082269759996e+02, 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