ASE database

Displaying rows 326-31 out of 31
↓ ID ✕ Formula ✕ Calculator ✕ Energy ✕ Volume ✕ Maximum stress ✕ Maximum force ✕
326 C60H18 vasp -585.987 8000.000 0.001 0.348
327 C60H18 vasp -585.637 8000.000 0.001 0.334
328 C60H18 vasp -589.778 8000.000 0.000 0.239
329 C60H18 vasp -590.265 8000.000 0.000 0.145
330 C60H18 vasp -583.926 8000.000 0.000 0.054
331 C60H18 vasp -584.300 8000.000 0.000 0.029
332 C60H18 vasp -586.606 8000.000 0.000 0.051
333 C60H18 vasp -586.599 8000.000 0.000 0.101
334 C60H18 vasp -586.621 8000.000 0.000 0.229
335 C60H18 vasp -587.112 8000.000 0.001 0.372
336 C60H18 vasp -585.413 8000.000 0.000 0.253
337 C60H18 vasp -585.337 8000.000 0.000 0.024
338 C60H18 vasp -596.031 8000.000 0.000 0.008
339 C60H18 vasp -596.111 8000.000 0.000 0.018
340 C60H18 vasp -595.494 8000.000 0.000 0.012
341 C60H18 vasp -593.057 8000.000 0.000 0.011
342 C60H18 vasp -591.502 8000.000 0.000 0.014
343 C60H18 vasp -591.422 8000.000 0.000 0.016
344 C60H18 vasp -595.352 8000.000 0.000 0.030
345 C60H18 vasp -592.454 8000.000 0.000 0.010
346 C60H18 vasp -593.764 8000.000 0.000 0.008
347 C60H18 vasp -595.722 8000.000 0.000 0.007
348 C60H18 vasp -591.523 8000.000 0.000 0.022
349 C60H18 vasp -596.450 8000.000 0.000 0.010
350 C60H18 vasp -596.376 8000.000 0.000 0.017