# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ae23559f-03f9-4e67-a8e4-e7c6cd142db0/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 Na3H7Os / P4_2/mnm (136) / materials id 867943](https://mdr.nims.go.jp/datasets/2aaee9cf-2ace-4952-b976-8b5b5c93709d) ## Fulltext elements: [Na, H, Os]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: [22.99, 1.008, 190.2]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: [1.494539663659437e+01, 2.562079707009539e-01, -1.337344560696814e+00, 1.760868844569650e-02, 3.699532324800409e-02, 0.000000000000000e+00, -9.638813861137123e+05, -3.515187587768964e+02, -1.108571572629691e+05, 1.259241922300612e+01, 3.899084582504044e+02, 5.252267505633767e+00, -9.963302891912497e+01, 3.486449278420869e+04, 6.291116786371840e+02, 0.000000000000000e+00, -9.013192393319951e+00, 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