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Merge branch 'main' into retest-all-tutorials
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‎files/tutorial1/solution/improved.md.lmp‎

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@@ -38,7 +38,7 @@ compute sumcoor12 grp_t1 reduce ave c_coor12
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thermo 1000
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thermo_style custom step temp pe ke etotal &
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press v_n1_in v_n2_in c_sumcoor12
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dump viz all image 100 myimage-*.ppm type type &
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dump viz all image 1000 myimage-*.ppm type type &
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shiny 0.1 box no 0.01 view 0 0 zoom 1.8 fsaa yes size 800 800
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dump_modify viz adiam 1 1 adiam 2 3 acolor 1 &
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turquoise acolor 2 royalblue backcolor white

‎files/tutorial2/breakable.data‎

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# LAMMPS Input File (License CC BY 4.0)
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# By Simon Gravelle, Jacob R. Gissinger, and Axel Kohlmeyer
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# The DOI will be added upon publication
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# Find more on GitHub: https://github.com/lammpstutorials
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LAMMPS data file.
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700 atoms
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1 atom types

‎files/tutorial2/unbreakable.data‎

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# LAMMPS Input File (License CC BY 4.0)
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# By Simon Gravelle, Jacob R. Gissinger, and Axel Kohlmeyer
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# The DOI will be added upon publication
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# Find more on GitHub: https://github.com/lammpstutorials
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LAMMPS data file. CGCMM style. atom_style molecular generated by VMD/TopoTools v1.7 on Fri Aug 04 11:29:35 CEST 2023
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700 atoms
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1035 bonds

‎files/tutorial5/.manifest‎

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relax.lmp
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deform.lmp
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decorate.lmp
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reaxCHOFe.inc
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silica.data
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# 2) solution files
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# only downloaded on request
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decorate-H.histo
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decorate.lmp
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decorate.log
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decorate-O.histo
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decorate.png
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decorate-Si.histo
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decorate.species
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deform.data
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deform.lmp
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deform.log
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deform-mod.data
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deform-O.histo
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deform.png
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deform-Si.histo
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deform.species
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reaxCHOFe.inc
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relax.data
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relax.lmp
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relax.log
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relax-O.histo
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relax.png
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relax-Si.histo
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relax.species
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silica.data
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solution/decorate-H.histo
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solution/decorate.lmp
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solution/decorate.log
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solution/decorate-O.histo
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solution/decorate.png
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solution/decorate-Si.histo
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solution/decorate.species
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solution/deform.data
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solution/deform.lmp
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solution/deform.log
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solution/deform-mod.data
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solution/deform-O.histo
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solution/deform.png
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solution/deform-Si.histo
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solution/deform.species
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solution/reaxCHOFe.inc
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solution/relax.data
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solution/relax.lmp
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solution/relax.log
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solution/relax-O.histo
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solution/relax.png
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solution/relax-Si.histo
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solution/relax.species
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solution/silica.data
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# 3) support files
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reaxCHOFe.inc

‎files/tutorial5/silica.data‎

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# LAMMPS Input File (License CC BY 4.0)
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# By Simon Gravelle, Jacob R. Gissinger, and Axel Kohlmeyer
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# The DOI will be added upon publication
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# Find more on GitHub: https://github.com/lammpstutorials
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LAMMPS data file via write_data, version 3 Nov 2022, timestep = 5720000
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576 atoms

‎files/tutorial6/.manifest‎

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cracking.lmp
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gcmc.lmp
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H2O.mol
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SiO.1990.vashishta
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# 2) solution files
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# only downloaded on request
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cracking.data
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cracking-mod.data
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gcmc.lmp
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generate.data
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generate.log
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SiO.1990.vashishta
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cracking.lmp
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cracking.png
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gcmc.log
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generate.png
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cracking.log
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gcmc.png
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generate.lmp
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H2O.mol
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solution/cracking.data
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solution/cracking-mod.data
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solution/gcmc.lmp
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solution/generate.data
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solution/generate.log
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solution/SiO.1990.vashishta
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solution/cracking.lmp
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solution/cracking.png
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solution/gcmc.log
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solution/generate.png
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solution/cracking.log
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solution/gcmc.png
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solution/generate.lmp
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solution/H2O.mol
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# 3) support files
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SiO.1990.vashishta
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‎files/tutorial7/.manifest‎

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# 2) solution files
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# only downloaded on request
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free-sampling.dat
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free-sampling.lmp
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free-sampling.log
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free-sampling.png
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umbrella-sampling.dat
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umbrella-sampling.lmp
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umbrella-sampling.log
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umbrella-sampling.png
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wham
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umbrella-sampling.meta
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solution/free-sampling.dat
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solution/free-sampling.lmp
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solution/free-sampling.log
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solution/free-sampling.png
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solution/umbrella-sampling.dat
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solution/umbrella-sampling.lmp
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solution/umbrella-sampling.log
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solution/umbrella-sampling.png
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solution/wham
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solution/umbrella-sampling.meta
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# 3) support files
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wham

‎files/tutorial8/.manifest‎

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# 2) solution files
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# only downloaded on request
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CNT.data
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mixing.log
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mixing.restart
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M-M_pre.mol
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M-P_post.mol
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M-P.rxnmap
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polymerize.log
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P-P_post.mol
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P-P.rxnmap
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mixing.data
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mixing.lmp
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mixing.png
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M-M_post.mol
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M-M.rxnmap
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M-P_pre.mol
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polymerize.data
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polymerize.lmp
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polymerize.png
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P-P_pre.mol
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styrene.mol
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solution/CNT.data
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solution/mixing.log
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solution/mixing.restart
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solution/M-M_pre.mol
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solution/M-P_post.mol
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solution/M-P.rxnmap
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solution/polymerize.log
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solution/P-P_post.mol
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solution/P-P.rxnmap
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solution/mixing.data
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solution/mixing.lmp
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solution/mixing.png
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solution/M-M_post.mol
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solution/M-M.rxnmap
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solution/M-P_pre.mol
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solution/polymerize.data
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solution/polymerize.lmp
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solution/polymerize.png
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solution/P-P_pre.mol
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solution/styrene.mol
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# 3) folders not known to LAMMPS GUI will be skipped

‎files/tutorial8/CNT.data‎

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# LAMMPS Input File (License CC BY 4.0)
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# By Simon Gravelle, Jacob R. Gissinger, and Axel Kohlmeyer
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# The DOI will be added upon publication
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# Find more on GitHub: https://github.com/lammpstutorials
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LAMMPS data file. msi2lmp v3.9.9 / 05 Nov 2018 / CGCMM for tiny_cnt
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83
192 atoms

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