# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6cf6904f-c2ac-484f-8ddb-a071592cea0b/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 Sr(ZnP)2 / P-3m1 (164) / materials id 8276](https://mdr.nims.go.jp/datasets/b17199bf-d35b-4f97-9fe7-c8f9570e1233) ## Fulltext elements: [P, Zn, 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: [30.97, 65.39, 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: 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: [3.899366805920159e+02, 3.380598459297500e-01, 1.269129290697576e+00, 1.271441871653918e+00, 1.796915087175050e+01, 3.589714643683094e+03, 0.000000000000000e+00, 4.419888279604589e+05, 0.000000000000000e+00, 6.753272203692842e+01, 1.316676268751281e+04, -2.379426611491972e+01, -1.119843116585627e+04, -1.188096329167924e+03, 2.772798308099398e+04, 0.000000000000000e+00, 5.434248496920376e+02, 0.000000000000000e+00, 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