Table 4 Posterior values of each parameter \(\vartheta \in \{\varepsilon ,\sigma ,p,{\sigma }_{n}\}\) of LJ 6-\(p\): MPV \(b(\vartheta )\) and 5–95% quantiles \(q(\vartheta )\). The values are rounded from 16-digit precision.
\({\boldsymbol{b}}({\boldsymbol{\varepsilon }})\) | \({\boldsymbol{q}}({\boldsymbol{\varepsilon }})\) | \({\boldsymbol{b}}({\boldsymbol{\sigma }})\) | \({\boldsymbol{q}}({\boldsymbol{\sigma }})\) | \({\boldsymbol{b}}({\boldsymbol{p}})\) | \({\boldsymbol{q}}({\boldsymbol{p}})\) | \({\boldsymbol{b}}({{\boldsymbol{\sigma }}}_{n})\) | \({\boldsymbol{q}}({{\boldsymbol{\sigma }}}_{{\boldsymbol{n}}})\) | ||
|---|---|---|---|---|---|---|---|---|---|
\({B}_{p,R}\) | \({L}_{1}\) | 2.286 | [2.193, 4.794] | 3.431 | [3.422, 3.464] | 6.644 | [6.292, 6.647] | 0.157 | [0.185, 0.302] |
\({L}_{2}\) | 3.134 | [0.712, 4.416] | 3.369 | [3.319, 3.428] | 6.370 | [6.293, 8.313] | 0.222 | [0.215, 0.518] | |
\({L}_{3}\) | 1.250 | [0.914, 2.700] | 3.322 | [3.301, 3.395] | 6.715 | [6.332, 7.068] | 0.098 | [0.080, 0.159] | |
\({L}_{4}\) | 0.337 | [0.322, 1.060] | 3.325 | [3.325, 3.398] | 9.501 | [6.900, 9.842] | 0.057 | [0.066, 0.153] | |
\({L}_{5}\) | 5.928 | [0.794, 7.318] | 3.328 | [3.190, 3.395] | 6.116 | [6.102, 7.126] | 0.164 | [0.168, 0.326] | |
\(V\) | 1.065 | [0.625, 3.611] | 3.117 | [3.037, 3.122] | 6.604 | [6.151, 6.923] | 0.100 | [0.099, 0.190] | |
\(H{B}_{p,R}\) | \({L}_{1}\) | 4.561 | [3.890, 4.626] | 3.454 | [3.408, 3.471] | 6.302 | [6.296, 6.366] | 0.422 | [0.450, 0.602] |
\({L}_{2}\) | 2.081 | [1.333, 3.515] | 3.387 | [3.335, 3.424] | 6.565 | [6.340, 7.051] | 0.211 | [0.178, 0.351] | |
\({L}_{3}\) | 2.506 | [0.941, 4.325] | 3.345 | [3.295, 3.382] | 6.324 | [6.198, 6.996] | 0.093 | [0.081, 0.186] | |
\({L}_{4}\) | 2.588 | [0.892, 3.676] | 3.403 | [3.358, 3.432] | 6.339 | [6.226, 7.063] | 0.082 | [0.075, 0.146] | |
\({L}_{5}\) | 2.055 | [0.992, 4.281] | 3.252 | [3.194, 3.382] | 6.364 | [6.169, 6.837] | 0.183 | [0.159, 0.316] | |
\(V\) | 1.371 | [0.582, 1.896] | 3.129 | [3.082, 3.194] | 6.422 | [6.277, 7.025] | 0.111 | [0.103, 0.233] | |
\({B}_{p,Q}\) | 0.252 | [0.239, 0.261] | 3.370 | [3.367, 3.375] | 12.703 | [12.333, 13.309] | 0.006 | [0.006, 0.010] |
