Table 1: Details of the interfacial positions and activation energies. Columns are the following: interfacial structure, number of neighbours of the pushed particle, number of calculation performed on a given interfacial type, calculated average activation free energies with 95% confidence interval, median, minima, and maxima of the calculated activation free energy values, and the activation free energy values determined by the probabilistic method.

No. of neighbours No. of calculations F ‡ median F ‡ min F ‡ max F ‡ Gaussian (J/mol + 95% conf.) (J/mol) (J/mol) (J/mol) (J/mol) Full 9 30 4653 ± 246 4749 2976 6109 4757       Interfacial positions with vacancies at the interface         1 Vacancy 8 59 4517 ± 232 4542 2649 6620 4600 2 Vac—orto 7 30 4177 ± 357 4030 2501 5886 4259 2 Vac—meta 7 60 4405 ± 226 4389 2344 6713 2 Vac—para 7 30 4409 ± 312 4324 2369 6412 3 Vac—side by side 6 60 4412 ± 205 4484 2594 5853 4090 4 Vac—side by side 5 60 4203 ± 266 4162 1897 6756 3957 5 Vacancies 4 60 3758 ± 284 4006 1387 5603 3652 6 Vacancies 3 60 3770 ± 246 3726 1852 6193 3295       Interfacial structures         Corner minus 8 90 4127 ± 188 4235 2007 5950 Line 6 90 3488 ± 176 3446 1574 5483 Front 6 90 3293 ± 186 3114 1425 5339 Corner plus 5 90 2014 ± 96 1918 711 3423 Top 3 90 2021 ± 120 1964 847 3512