# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/35e602b7-fa75-49dd-90e6-c67310320e62/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 Ca(GaO2)2 / P2_1/c (14) / materials id 7367](https://mdr.nims.go.jp/datasets/2fffb4ad-d76a-4cb9-b87f-b5b071bba574) ## Fulltext elements: [O, Ca, Ga]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: [16.0, 40.08, 69.72]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: [1.496925409757479e+01, -5.525423145359723e-03, -2.923745568889846e-02, -9.457322957080002e+01, 8.750222650767464e+01, 9.450130015859526e+01, -4.823916142238906e+04, 1.758026789829530e+04, 1.831061593383913e+03, -3.576573727605388e+01, 1.447537523444290e+02, -5.825151123710525e+05, 1.137833106633316e+05, 6.889380624165307e+00, 6.188079080010658e+03, 7.987623823728817e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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