ASE database

Displaying rows 1-100 out of 127
Formula ✕ Number of atoms ✕ Maximum force ✕ Mass ✕ Charge ✕ Calculator ✕ perms_num ✕ Energy ✕
C60H24 84 0.074 744.852 0.000 vasp 1 -618.428
C60H24 84 0.411 744.852 0.000 vasp 1 -621.687
C60H24 84 0.940 744.852 0.000 vasp 1 -618.311
C60H24 84 0.807 744.852 0.000 vasp 1 -621.514
C60H24 84 0.273 744.852 0.000 vasp 1 -619.817
C60H24 84 0.991 744.852 0.000 vasp 2 -623.329
C60H24 84 0.497 744.852 0.000 vasp 1 -621.997
C60H24 84 10.605 744.852 0.000 vasp 2 -553.820
C60H24 84 0.029 744.852 0.000 vasp 4 -620.528
C60H24 84 0.805 744.852 0.000 vasp 2 -621.168
C60H24 84 0.009 744.852 0.000 vasp 1 -620.785
C60H24 84 0.099 744.852 0.000 vasp 2 -621.324
C60H24 84 0.787 744.852 0.000 vasp 2 -618.480
C60H24 84 0.581 744.852 0.000 vasp 2 -619.357
C60H24 84 0.420 744.852 0.000 vasp 2 -618.815
C60H24 84 14.369 744.852 0.000 vasp 2 -552.041
C60H24 84 0.564 744.852 0.000 vasp 2 -617.670
C60H24 84 0.009 744.852 0.000 vasp 1 -616.418
C60H24 84 10.655 744.852 0.000 vasp 2 -554.813
C60H24 84 0.552 744.852 0.000 vasp 2 -620.064
C60H24 84 0.764 744.852 0.000 vasp 1 -619.128
C60H24 84 0.290 744.852 0.000 vasp 2 -618.747
C60H24 84 0.473 744.852 0.000 vasp 2 -620.154
C60H24 84 0.268 744.852 0.000 vasp 1 -619.367
C60H24 84 0.669 744.852 0.000 vasp 2 -620.729
C60H24 84 1.485 744.852 0.000 vasp 2 -617.979
C60H24 84 1.470 744.852 0.000 vasp 1 -620.680
C60H24 84 0.009 744.852 0.000 vasp 2 -618.367
C60H24 84 0.006 744.852 0.000 vasp 4 -618.766
C60H24 84 38.633 744.852 0.000 vasp 2 -401.173
C60H24 84 0.575 744.852 0.000 vasp 2 -622.867
C60H24 84 0.892 744.852 0.000 vasp 1 -618.225
C60H24 84 0.010 744.852 0.000 vasp 1 -619.974
C60H24 84 0.560 744.852 0.000 vasp 1 -624.312
C60H24 84 0.978 744.852 0.000 vasp 4 -619.092
C60H24 84 14.719 744.852 0.000 vasp 4 -570.853
C60H24 84 0.234 744.852 0.000 vasp 1 -616.110
C60H24 84 0.170 744.852 0.000 vasp 2 -619.846
C60H24 84 0.365 744.852 0.000 vasp 2 -620.495
C60H24 84 0.008 744.852 0.000 vasp 2 -623.407
C60H24 84 0.342 744.852 0.000 vasp 4 -619.411
C60H24 84 1.033 744.852 0.000 vasp 1 -620.569
C60H24 84 0.429 744.852 0.000 vasp 1 -619.368
C60H24 84 0.554 744.852 0.000 vasp 1 -616.709
C60H24 84 0.830 744.852 0.000 vasp 1 -620.662
C60H24 84 1.270 744.852 0.000 vasp 1 -616.772
C60H24 84 1.014 744.852 0.000 vasp 1 -618.153
C60H24 84 0.726 744.852 0.000 vasp 1 -619.086
C60H24 84 1.096 744.852 0.000 vasp 1 -620.958
C60H24 84 952.982 744.852 0.000 vasp 1 718.513
C60H24 84 0.770 744.852 0.000 vasp 1 -618.917
C60H24 84 0.641 744.852 0.000 vasp 1 -616.601
C60H24 84 0.770 744.852 0.000 vasp 1 -620.770
C60H24 84 0.608 744.852 0.000 vasp 1 -617.658
C60H24 84 0.301 744.852 0.000 vasp 1 -614.750
C60H24 84 0.787 744.852 0.000 vasp 1 -613.321
C60H24 84 0.505 744.852 0.000 vasp 1 -619.258
C60H24 84 1.221 744.852 0.000 vasp 1 -618.538
C60H24 84 0.219 744.852 0.000 vasp 1 -618.127
C60H24 84 0.353 744.852 0.000 vasp 1 -616.007
C60H24 84 1.193 744.852 0.000 vasp 1 -615.009
C60H24 84 0.035 744.852 0.000 vasp 1 -616.879
C60H24 84 0.965 744.852 0.000 vasp 1 -615.817
C60H24 84 0.239 744.852 0.000 vasp 1 -614.300
C60H24 84 1.387 744.852 0.000 vasp 1 -616.058
C60H24 84 0.613 744.852 0.000 vasp 1 -615.529
C60H24 84 0.622 744.852 0.000 vasp 1 -614.949
C60H24 84 0.566 744.852 0.000 vasp 1 -614.716
C60H24 84 0.087 744.852 0.000 vasp 1 -622.116
C60H24 84 0.723 744.852 0.000 vasp 1 -619.194
C60H24 84 0.883 744.852 0.000 vasp 1 -621.486
C60H24 84 1.256 744.852 0.000 vasp 1 -618.450
C60H24 84 1.578 744.852 0.000 vasp 1 -617.512
C60H24 84 0.429 744.852 0.000 vasp 1 -619.864
C60H24 84 1.136 744.852 0.000 vasp 1 -619.124
C60H24 84 1.274 744.852 0.000 vasp 1 -619.865
C60H24 84 0.286 744.852 0.000 vasp 1 -617.176
C60H24 84 0.880 744.852 0.000 vasp 1 -619.735
C60H24 84 0.532 744.852 0.000 vasp 1 -621.057
C60H24 84 0.064 744.852 0.000 vasp 1 -617.047
C60H24 84 0.008 744.852 0.000 vasp 1 -621.191
C60H24 84 0.914 744.852 0.000 vasp 1 -620.472
C60H24 84 0.541 744.852 0.000 vasp 1 -619.942
C60H24 84 0.838 744.852 0.000 vasp 1 -617.090
C60H24 84 0.320 744.852 0.000 vasp 1 -617.042
C60H24 84 0.202 744.852 0.000 vasp 1 -616.436
C60H24 84 0.709 744.852 0.000 vasp 1 -619.617
C60H24 84 0.009 744.852 0.000 vasp 1 -618.900
C60H24 84 0.009 744.852 0.000 vasp 1 -616.375
C60H24 84 0.720 744.852 0.000 vasp 1 -620.138
C60H24 84 0.349 744.852 0.000 vasp 1 -619.719
C60H24 84 0.200 744.852 0.000 vasp 1 -621.695
C60H24 84 0.867 744.852 0.000 vasp 1 -623.135
C60H24 84 0.847 744.852 0.000 vasp 1 -622.492
C60H24 84 0.249 744.852 0.000 vasp 1 -620.151
C60H24 84 0.567 744.852 0.000 vasp 1 -619.774
C60H24 84 1.662 744.852 0.000 vasp 1 -619.617
C60H24 84 0.451 744.852 0.000 vasp 1 -617.687
C60H24 84 0.745 744.852 0.000 vasp 1 -621.312
C60H24 84 0.108 744.852 0.000 vasp 1 -620.403