Hello Lammps Users and Developers,
I need help finding the problem with this lattice command. I got the input file from a VASP output and wonder what could be wrong with it. I am getting illegal lattice command in the log file just after the code reads the last line of the basis. The original lattice parameters are (a = 12.04640, b = 4.09396, c = 6.88949, beta = 55.273).
Suleiman.
************Start of LAMMPS input file************************************************
units metal
atom_style atomic
boundary p p p
# AlCu_mc20 Alloy monoclinic unit cell a = 12.04640, b = 4.09396, c = 6.88949, beta = 55.273
lattice custom 1.0 &
6.02317659 -2.04697751 -0.01608890 &
6.02317659 2.04697751 -0.01608890 &
3.93985599 0.00000000 5.65177768 &
basis 0.0000000000000000 0.0000000000000000 0.0000000000000000 &
basis 0.5000000000000000 0.5000000000000000 0.5000000000000000 &
basis 0.1554369940875797 0.1554369940875797 0.5392629068444545 &
basis 0.8445630059124201 0.8445630059124201 0.4607370931555455 &
basis 0.3771787923540568 0.3771787923540568 0.0080116785954751 &
basis 0.6228212076459432 0.6228212076459432 0.9919883214045249 &
basis 0.2586613846202718 0.2586613846202718 0.7582000746896076 &
basis 0.7413386153797283 0.7413386153797283 0.2417999253103924 &
basis 0.1094403869771623 0.1094403869771623 0.2268251694450604 &
basis 0.8905596130228376 0.8905596130228376 0.7731748305549396
region box prism 0.0 4.0 0.0 4.0 0.0 4.0 0.0 0.0 0.0
create_box 2 box
create_atoms 2 box basis 1 1 basis 2 2 basis 3 2 basis 4 2 basis 5 2 basis 6 2 basis 7 1 basis 8 1 basis 9 1 basis 10 1
pair_style eam/alloy
pair_coeff * * ../../../potentials/CuAl.alloy Cu Al
*********************** END of LAMMPS input file ***************************************************************