#Al system
unitsmetal
boundaryp p p
atom_styleatomic
read_dataAl-210-large5.lammps
pair_styleeam/alloy
pair_coeff* * Al.lammps.eam Al
neighbor0.3 bin
neigh_modifyevery 1 delay 5 check yes
timestep0.005
thermo10
compute3 all pe/atom
compute4 all ke/atom
compute5 all coord/atom 3.0
dump1 all custom 100 dump.atom id xs ys zs c_3 c_4 c_5
dump2 all xyz 1000 dump.xyz
min_stylecg
minimize1.0e-12 1.0e-12 1000 1000
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发表于 2018-11-19 11:16:38
楼主