# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ba881499-89ab-4ddf-93a6-dbed8b648e50/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 CaH2 / Pnma (62) / materials id 23713](https://mdr.nims.go.jp/datasets/5edeb6e3-1f1b-43dd-929b-4f053354cbfe) ## Fulltext elements: [H, Ca]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: [1.008, 40.08]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: [1.379296051774389e-01, 2.157500787447737e+00, 1.672679210754555e+02, -4.731373489895940e+02, 2.827251523334215e+02, 5.555933384605338e+01, -5.871424145514603e+04, 0.000000000000000e+00, 4.516938042964283e+02, -5.294476497209893e+02, 1.024049590470363e+02, -4.031986728171951e+05, 0.000000000000000e+00, -2.694904624446917e+02, -1.718049768811361e+03, -3.079263084311080e+02, 2.911866360341339e+05, 0.000000000000000e+00, 2.117473523599566e+03, 2.107689113463957e+02, 8.372930541691731e+01, 4.727727072056964e+05, 0.000000000000000e+00, 1.329625830561152e+02, 4.838559241199840e+02, -4.513170871327824e+00, -1.279087857120440e+05, 0.000000000000000e+00, 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