multiple XYZ file ges2-cart.xyz 258 Ge S Germanium 32 72.610001 0 1.200000 8.185000 32.000000 Sulfur 16 32.070000 0 1.050000 2.847000 16.000000 19.210000 19.210000 19.210000 90.000000 90.000000 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 TRUE FALSE 0 0.000000 0.000000 -0.000000 0.000000 -0.000000

0.050000

t [ps] TRUE