# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/70d7c3c9-6ec8-4b58-ad3a-17c4c4b2fedd/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 Al4CO4 / Cmc2_1 (36) / materials id 13703](https://mdr.nims.go.jp/datasets/62835544-a94c-46e0-9be5-458868be983a) ## Fulltext elements: [C, O, Al]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: [12.01, 16.0, 26.98]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: [0.000000000000000e+00, -1.575975327878624e+02, 6.930987404701275e-02, -1.057178271368626e-01, -4.891638942275581e-01, 2.774925311112746e+01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 7.697855605919025e+05, 2.436774935610978e+03, -2.048076787213147e+04, 1.334129243102684e+04, 4.240580347740057e+00, -3.182275655302707e+01, 3.179784949080782e+03, -1.079193768316487e+04, 1.325030591207696e+03, 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