units           metal
atom_style      atomic

boundary	   p p s
read_data          phosphorene_grain1_120_AA_4layer_z.data
variable           ips equal 0.0132
variable           sigma equal 3.695
variable           rcut equal 9.2375

pair_style	   hybrid lj/cut 12.75 sw sw
pair_coeff * * sw 1 phosphorene_modified.sw Pt Pb NULL NULL 
pair_coeff 1*2 3*4 lj/cut ${ips} ${sigma} ${rcut}
pair_coeff * * sw 2 phosphorene_modified.sw NULL NULL Pt Pb
neigh_modify         delay 5

group move type 3 4

variable           t index 1
variable           n equal count(all)
variable           P equal pe/$n
variable           P_t equal pe
thermo_style       custom step temp pe vol pxx pyy pzz pxy pxz pyz
thermo             100
min_style          cg
min_modify         dmax 1e-2 line quadratic
minimize           1.0e-12   1.0e-12   20000 20000
thermo             100

displace_atoms move move 0 0 0.2 units box

min_style          cg
min_modify         dmax 1e-2 line quadratic
minimize           1.0e-12   1.0e-12   20000 20000
thermo             100

displace_atoms move move 0 0 0.2 units box

min_style          cg
min_modify         dmax 1e-2 line quadratic
minimize           1.0e-12   1.0e-12   20000 20000
thermo             100

displace_atoms move move 0 0 0.2 units box

min_style          cg
min_modify         dmax 1e-2 line quadratic
minimize           1.0e-12   1.0e-12   20000 20000
thermo             100