# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/51a516b2-5c37-401d-94b4-f825df735e66/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 Al2O3 / Cmc2_1 (36) / materials id 754401](https://mdr.nims.go.jp/datasets/10a75528-a52c-450f-9b33-0ad67d78e348) ## Fulltext elements: [Al, 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: [26.98, 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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [1.012927769198652e+02, -7.762680256304597e-01, 5.035861623978179e+01, -1.129362659756538e+05, 4.034567312181381e+02, 2.738860717000887e+01, 4.534751244271913e+03, -2.782398834793712e+04, 1.268606939758057e+06, -5.877842970117745e+04, 7.460863220983448e+01, -1.442305309593819e+04, 1.859264944601963e+04, 2.171817823386883e+05, -3.376851230646744e+04, 1.636841861791597e+01, -5.748035635720372e+03, 2.953274780475196e+04, -1.060182782209656e+06, -1.333566641211250e+04, -4.279839485887713e+01, 4.577014248740447e+03, -1.131752535418828e+04, 1.157539828650879e+06, 8.549683854809294e+02, -4.592598202241605e+01, -1.000398764064553e+03, 4.395342508719511e+03, 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