# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3331d907-89cf-4267-89fe-13ea631ec21b/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 YPO4 / I4_1/amd (141) / materials id 5132](https://mdr.nims.go.jp/datasets/b637362b-8b0f-4cc8-b444-9aad4076b2ec) ## Fulltext elements: [O, P, Y]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, 30.97, 88.91]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: [6.522802475978730e-01, 3.251365169717278e-02, 2.153630871025513e-01, 1.621247304552403e+02, -5.433102308037421e-01, 2.432207703288554e+02, 2.985811468833909e+02, 2.703721688253124e+01, 5.730802126421663e+01, 8.819744973341054e-01, 4.064089602650571e+01, -2.929997557846040e+04, 2.662034095093570e+02, 9.184298333351838e+01, 1.356005591502561e+04, -2.290866678985220e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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