# Fileset

[polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2889a34e-1d57-4ff6-aa7b-c613117038c2/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 Mg2B24C / P-4n2 (118) / materials id 568556](https://mdr.nims.go.jp/datasets/eff5ba1b-4240-4ce8-bfd8-2a64f9efa4ad)

## Fulltext

elements:      [Mg, B, C]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:          [24.31, 10.81, 12.01]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: [0.000000000000000e+00, 4.903240176406574e-01, 1.084550306732955e+01, 2.895540083528189e-01, -5.712626899903710e-02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.171683116726192e+02, -1.630696711909281e+03, -1.278767492625596e+01, -4.387624517273113e+01, 8.138241337123812e+03, -2.320665603092561e+02, 0.000000000000000e+00, 5.177591678472051e-01, -3.631855361611266e+00, 3.900744250586066e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -2.856398409477359e+02, 1.294305581617867e+04, -8.612521326190758e+01, 1.970397345179370e+02, 5.921794867516979e+03, 6.699335533325811e+03, 0.000000000000000e+00, 1.070181413218749e+01, -4.123856151239817e+00, 1.191594373075170e+01, 0.000000000000000e+00, 0.000000000000000e+00, 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