processors      1 1 *
newton          on
units           metal
lattice         sc 1.0
boundary        fs fs p
neighbor        1.0 bin
neigh_modify    every 5 delay 0 check yes

atom_style      mesont
#               cut, path, BendingMode, TPMType
pair_style      mesont/tpm 45.0 MESONT-TABTP_10_10.xrs 0 0
read_data       data.bundle
pair_coeff      * *

velocity        all create 6000.0 2019
timestep        0.005
fix             1 all nve
thermo          10
reset_timestep  0

compute         Es all mesont estretch
compute         Eb all mesont ebend
compute         Et all mesont etube
compute         B all property/atom buckling

thermo_style    custom step time temp etotal ke pe c_Es c_Eb c_Et
#dump            out_dump all custom 50 dump.bundle id type x y z c_Es c_Eb c_Et c_B ix iy iz

run             100