# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ecb7fd48-ee39-4d02-8cef-0a7f507140ae/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 CaO / Fm-3m (225) / materials id 2605](https://mdr.nims.go.jp/datasets/47659b52-fd21-4760-939e-e90d8b16fda0) ## Fulltext elements: [O, Ca]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]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: [2.868870903018996e+01, 2.452676770876258e-01, 4.418889231626745e+01, 0.000000000000000e+00, 9.126278459196566e+03, 2.884515605269857e+01, 2.384813644319415e+03, 0.000000000000000e+00, 0.000000000000000e+00, -2.398392021522199e+04, 8.182393203875512e+01, -1.660371916981745e+04, 0.000000000000000e+00, 0.000000000000000e+00, -1.830176986332788e+05, 2.101194890660515e+02, 1.341111498439543e+05, 0.000000000000000e+00, 0.000000000000000e+00, 3.127984279576507e+04, 2.119741367879815e+01, 2.134952954977165e+04, 0.000000000000000e+00, 0.000000000000000e+00, 5.718168226321410e+02, -1.928191136077058e+01, 2.837652206827151e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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