# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/34cc379f-00c7-44d2-949e-f65dbb7e5dd2/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 Nd2Se3 / I-42d (122) / materials id 32688](https://mdr.nims.go.jp/datasets/0bf4ffaf-7e47-4adb-a29e-93704673729b) ## Fulltext elements: [Nd, Se]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: [144.2, 78.96]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: [-2.112078633536612e+05, 1.269494756813532e+02, 6.571456612151542e+02, 0.000000000000000e+00, 0.000000000000000e+00, 2.343680400889774e+05, 4.795340878605338e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.313452397988536e+06, 4.169508404139670e+07, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.036070101600452e+06, 4.228422229441208e+07, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.528566987419107e+06, -8.109501561962324e+06, -4.005747137777543e+07, 0.000000000000000e+00, 0.000000000000000e+00, 5.546028799410107e+05, -3.289946778802164e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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