# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/41b1ffac-49d3-49b9-a7e3-cd1486e2f0fd/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 Sr4As3 / Pbam (55) / materials id 29424](https://mdr.nims.go.jp/datasets/0cc8a23a-5aff-43eb-a203-a8696e454b83) ## Fulltext elements: [As, Sr]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: [74.92, 87.62]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: [1.037693050816526e+01, 3.241801478177840e+01, -1.866900283369871e+03, 1.804418948949409e+03, 4.198718544806744e+05, -2.717272441588839e+06, 0.000000000000000e+00, 0.000000000000000e+00, 2.030496213872557e+03, -8.073919875181019e+05, -7.517038128397335e+06, 0.000000000000000e+00, 0.000000000000000e+00, 9.299736636196219e+02, -2.156875834785680e+06, 2.312322842118455e+06, 0.000000000000000e+00, 0.000000000000000e+00, 1.358898818558994e+03, -3.514981643295017e+05, -1.169030148196352e+06, 0.000000000000000e+00, 0.000000000000000e+00, -6.764336347591700e+02, -1.304263894947362e+06, -3.574912655968323e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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