# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/dafa7ecf-4e76-48f9-8080-e4c36b2ffce6/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 MnP4 / C2/c (15) / materials id 571193](https://mdr.nims.go.jp/datasets/1cb2a246-63a0-4e42-b3df-11c7b7696099) ## Fulltext elements: [Mn, P]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: [54.94, 30.97]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: [-1.536312175966126e+01, -7.269039109665796e+00, 1.195384481016292e+00, -1.177271084737882e+06, -9.430253548673309e+03, 1.133956554978949e+03, -2.267542748031538e+04, -2.993601025335645e+03, 5.012014324610343e+05, 1.966571544181214e+05, -4.534485750339838e+03, 1.191029161942657e+04, 1.004227065669086e+04, -4.581269126746120e+05, -7.170710821718447e+05, -2.720485788969837e+02, -1.400973244994147e+02, 1.561039979681391e+04, 2.551602311246976e+05, -1.047986997489747e+06, 2.693240315455014e+03, 1.479785387622562e+04, 6.282449266540478e+02, 2.835579600152981e+05, -1.411690547321251e+05, -2.378320841035630e+02, 1.656837128882176e+04, -2.274094634058798e+01, 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