print dlpoly 2 reg2 2 cutoff 1.00000 15.00000 0.50000 60.00000 surf region 5.00000 5.00000 25.00000 25.00000 stack LATT (area = 53.983) 0.0000000000 7.8951741572 0.0000000000 0.0000000000 3.9475870786 6.8374213874 3.2231913526 0.0000000000 4.5582809250 Miller 1 1 1 code 7 BASI CL CORE 0.0000000000 7.8951741572 6.8374213874 CL CORE 0.0000000000 11.8427612358 6.8374213874 NA CORE 1.6115956763 7.8951741572 9.1165618499 NA CORE 1.6115956763 5.9213806179 5.6978511562 NA CORE 1.6115956763 3.9475870786 9.1165618499 NA CORE 1.6115956763 1.9737935393 5.6978511562 CL CORE 3.2231913526 5.9213806179 7.9769916187 CL CORE 3.2231913526 9.8689676965 7.9769916187 ends @include poten.txt slab region 10.00000 10.00000 10.00000 10.00000 vscale1 3.0 0.0 -2.0 4.0 slab start minimise conj 0 bfgs 20 #newt 600 maxu 20 nokill start stop