# Fileset

[polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/245f33ba-75b2-44fa-b051-d7bc6c796d12/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 SrCa3O4 / Pm-3m (221) / materials id 978844](https://mdr.nims.go.jp/datasets/a0585bbe-8ac0-47e8-ad02-ce7ec7587c36)

## Fulltext

elements:      [Sr, Ca, 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:          [87.62, 40.08, 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: [0.000000000000000e+00, 2.213411940778584e+01, 4.122904183433014e-01, 4.329713489072402e+01, 1.285598029929358e-01, 3.716931226137305e+01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.914223771415277e+03, 0.000000000000000e+00, 2.280986973160118e+03, 1.461454259656516e+02, -1.526314447738274e+01, 2.157971197022864e+04, 0.000000000000000e+00, 1.365578003251568e+03, 5.190165416874974e+01, 1.943440477349997e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -2.227550280080676e+04, 0.000000000000000e+00, -2.358622808798895e+04, 6.522546529756495e+01, 3.618323268091522e+02, 1.041204233448934e+04, 0.000000000000000e+00, -2.130687417117442e+04, 7.206848963020528e+01, -5.945132547350972e+03, 0.000000000000000e+00, 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