# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/44f3d7c7-9016-4df1-8279-d878a22c8a9e/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 As2Os / Pnnm (58) / materials id 2455](https://mdr.nims.go.jp/datasets/e420165b-bf43-4706-8e5e-261a77c0a910) ## Fulltext elements: [As, Os]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, 190.2]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: [-5.702513645891233e-01, 2.674258285859554e+00, -8.252937865418086e+01, 9.244929063291904e+03, -2.037910852452325e+03, 1.604696595516408e+03, -3.820344001085727e+05, 1.467781880695533e+06, -4.066125264987789e+01, 1.089363495549194e+03, 1.136914574763017e+04, -4.951304483207177e+05, -1.376374997482186e+06, -3.662832724189734e+03, 1.061051135476642e+04, 2.230083542178482e+03, 2.551579966726959e+05, 4.657002050356857e+05, -3.601019882254166e+02, -3.960015422943323e+03, -9.499399051254200e+03, -5.961139547956745e+05, -5.176270242387695e+05, -4.926506410341543e+02, 2.293077972400512e+04, -1.995379121097630e+03, 8.796551591328070e+04, -7.166524257116910e+04, 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