# Fileset

[polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b9ca5f88-09a6-4942-8101-6345c58358d4/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 Rb2Cd(PSe3)2 / P2_1/c (14) / materials id 541897](https://mdr.nims.go.jp/datasets/3c1d1d92-a50b-4026-88ea-205558e24db9)

## Fulltext

elements:      \[Cd, Rb, Se, P\] cutoff:        8.0 pair\_type:     gaussian feature\_type:  gtinv model\_type:    3 max\_p:         2 max\_l:         8  gtinv\_order:   3 gtinv\_maxl:    \[8, 8\] gtinv\_sym:     \[0, 0\] gtinv\_version: 1  electrostatic: 0 mass:          \[112.4, 85.47, 78.96, 30.97\]  n\_pair\_params: 11 pair\_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: 10 type\_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:      \[0, 3\]   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:      \[1, 3\]   pair\_params\_indices: \[0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10\] - atom\_type\_pair:      \[2, 2\]   pair\_params\_indices: \[0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10\] - atom\_type\_pair:      \[2, 3\]   pair\_params\_indices: \[0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10\] - atom\_type\_pair:      \[3, 3\]   pair\_params\_indices: \[0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10\]  type\_full:    1 type\_indices: \[0, 1, 2, 3\]  n\_coeffs: 116930 coeffs: \[0.000000000000000e+00, -3.808938859887109e+03, 8.212596486615434e-01, 4.292251208151508e+00, 0.000000000000000e+00, 4.363804201398351e+01, -2.386146308558899e+02, 1.026984197674792e+01, 2.006468635729032e-01, 6.764362759415235e-02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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