ASE database

Displaying rows 1-25 out of 31
Formula ✕ Energy ✕ Maximum stress ✕ Maximum force ✕ Mass ✕
Cu48N -193.568 0.019 0.391 3064.215
Cu48N -191.730 0.024 0.309 3064.215
Cu48N -193.479 0.025 0.369 3064.215
Cu48F -190.260 0.019 0.398 3069.206
Cu48F -191.257 0.023 0.336 3069.206
Cu48F -191.759 0.024 0.393 3069.206
Cu48O -192.145 0.019 0.409 3066.207
Cu48O -191.780 0.024 0.320 3066.207
Cu48O -193.280 0.024 0.385 3066.207
Cu48B -191.803 0.018 0.383 3061.018
Cu48B -190.274 0.024 0.331 3061.018
Cu48B -191.672 0.023 0.383 3061.018
Cu48C -193.425 0.020 0.373 3062.219
Cu48C -191.291 0.024 0.314 3062.219
Cu48C -193.011 0.025 0.372 3062.219
Cu48N -185.090 0.021 0.616 3064.215
Cu48N -185.935 0.020 0.490 3064.215
Cu48N -183.344 0.022 0.530 3064.215
Cu48N -185.087 0.021 0.617 3064.215
Cu48F -182.123 0.020 0.576 3069.206
Cu48F -183.516 0.021 0.496 3069.206
Cu48F -183.493 0.022 0.505 3069.206
Cu48F -183.214 0.021 0.490 3069.206
Cu48O -184.198 0.021 0.595 3066.207
Cu48O -184.799 0.021 0.499 3066.207