# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/70919b97-6743-47e4-b4fb-39b999cea828/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 YBrO / P4/nmm (129) / materials id 768906](https://mdr.nims.go.jp/datasets/4d0b5b1a-8cf2-4a81-a463-2d5b230dd2b9) ## Fulltext elements: [Y, Br, O]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: [88.91, 79.9, 16.0]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: [1.080107213336668e+02, 1.684952424035043e+00, 4.317066029320621e-02, 7.223973639126148e+02, 5.639535243361790e+00, 4.189363532285424e+00, 0.000000000000000e+00, 0.000000000000000e+00, 4.265685097720077e+03, -1.519359639770148e+04, -3.979310294446267e+02, 0.000000000000000e+00, -2.445152742889409e+05, 6.337132600921321e+00, 3.896325680565035e+03, -1.877351126390806e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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