# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d127142f-4da1-4fdb-ba1c-989c4ad6f1bd/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 RbBO2 / R-3c (167) / materials id 31358](https://mdr.nims.go.jp/datasets/9006e03e-5eb8-457b-8cff-0ed0a520aaec) ## Fulltext elements: [B, O, Rb]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: [10.81, 16.0, 85.47]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: [1.162940028181085e+00, -9.246462645019816e-02, 6.689315596522346e+01, 1.764462304126700e+00, 2.951514460648177e+00, 1.136890944488311e+02, 8.586403471263408e+01, 1.515011367108224e+01, -3.149646735574177e+05, 1.950168777557708e-01, 1.457062311025512e+02, -8.687691667979366e-02, -3.865241434488972e+02, 6.561308608831447e+06, 2.734220777670632e+05, 0.000000000000000e+00, 2.364019349605839e+02, 8.442712945346520e+03, 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