# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e0cd1d7a-9994-400e-b990-f6c4400fe094/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 Zn(SbO3)2 / P4_2/mnm (136) / materials id 3188](https://mdr.nims.go.jp/datasets/270f679e-bc06-463d-a72e-d1684a45357c) ## Fulltext elements: [O, Zn, Sb]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, 65.39, 121.8]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: [1.763506330219535e-01, 1.377491217966445e-01, 7.161307456431591e-04, 0.000000000000000e+00, -8.588267835600472e+00, -5.695361288696887e+00, 9.098286854736092e+02, -1.577135336315999e+03, 5.401863659554978e+02, 1.735950090373690e+01, 6.928609855227307e+01, 0.000000000000000e+00, 1.364318154391870e+04, 8.359627764695198e+00, 9.313632030668132e+02, 2.221563350846611e+02, 0.000000000000000e+00, 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