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[交流] Lammps对单晶铜进行弛豫，体积忽然增大，内存异常，vmd查看发现体积基本不变

Lammps对单晶铜进行弛豫，体积忽然增大，内存异常，vmd查看发现体积基本不变
in.文件
boundary    p s s
units       metal
atom_style atomic
dimension    3
neighbor    2.0 bin
neigh_modify  delay 2  every 1 check yes
lattice    fcc 3.61
region       box block 0 50 0 8 0 8
create_box 1 box
create_atoms  1 box
mass 1    63.546
pair_style eam
pair_coeff * * Cu_u3.eam
region       1 block INF 1 INF INF INF INF
region       2 block  49 INF INF INF INF INF
group       left region 1
group       right region 2
group       boundary union left right
group       mobile subtract all left
velocity    left set 0.0 0.0 0.0
dump       1 all atom 1000 dump.tensilecy
min_style    sd
minimize    1.0e-6 1.0e-6 1000 10000
fix          1 left setforce 0.0 0.0 0.0
fix          2 all npt temp 300 300 1 x 0.0 0.0 10.0 drag 1.0
thermo       1000
timestep    0.002
run          40000
unfix       2
fix          2 all npt temp 300 300 100 x 0.0 0.0 10.0 drag 1.0
thermo       1000
timestep    0.002
run          900000

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