# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c5b88c8a-6b3a-40b4-8862-8bdda437ef63/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 CsHO / Cmc2_1 (36) / materials id 625136](https://mdr.nims.go.jp/datasets/e74d6d37-e049-41e3-aade-43edf17662cb) ## Fulltext elements: [Cs, H, 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: [132.9, 1.008, 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: [1.446521649129530e+03, 1.254275513238309e+01, -8.494013503245115e-01, 1.589294240743873e+00, -6.381183221803008e-01, -1.828750102437011e+01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.257225383326080e+05, 1.948296702743310e+05, 1.070720446437661e+04, 3.641366988033429e+02, -1.709388835146264e+05, 1.634370245639954e+03, 7.734827456130909e+05, 5.995547373319143e+01, -1.451951204509659e+02, 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