# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a38d9fc9-43f3-4070-a5af-7fcd80711802/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 Cu2P7 / C2/m (12) / materials id 28034](https://mdr.nims.go.jp/datasets/405c4043-1569-4595-8e76-80958e7c496a) ## Fulltext elements: [P, Cu]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: [30.97, 63.55]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: [4.292794695525750e+00, 3.951676404984754e-01, -3.096808151889809e+03, -7.646802816693275e+02, -2.891306075774528e+04, 1.346160843003375e+03, -9.086922968834633e+07, 0.000000000000000e+00, 6.045966943355796e+03, 2.316766664327230e+04, 4.460141214122638e+03, 2.187764167447629e+08, 0.000000000000000e+00, 1.469448877068181e+04, -5.641667940091795e+03, -8.976514068835077e+03, -7.385746775272861e+07, 0.000000000000000e+00, 1.603936516279480e+03, 1.308613028940215e+04, -6.515646283562597e+02, -4.267899033333510e+08, 0.000000000000000e+00, 5.922840235167332e+02, 1.810626849586673e+04, 2.810905440859619e+02, 7.737536759094502e+07, 0.000000000000000e+00, 1.085867102601127e+04, 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