# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7af91221-bc1c-4171-9508-e0a412ae452e/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 Ca(AsO3)2 / P-31m (162) / materials id 4555](https://mdr.nims.go.jp/datasets/0c41f504-e415-4585-8cee-5eadd79b5654) ## Fulltext elements: [O, Ca, As]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: [16.0, 40.08, 74.92]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: [4.543706108979358e-01, 4.113619945065400e-01, -4.914390373750958e-03, 0.000000000000000e+00, 1.993532321499174e+02, -2.345150362112270e+00, 8.322580377376441e+02, 6.794201625908519e+03, 3.189050758307443e+01, 1.944007548374048e+02, 2.699819294872049e+01, 0.000000000000000e+00, 2.632669866837323e+06, 1.593508011610796e+00, 1.166031986740732e+05, 6.028428414281423e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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