ASE database

Displaying rows 101-127 out of 127
Formula ✕ Number of atoms ✕ Maximum force ✕ Mass ✕ Charge ✕ Calculator ✕ perms_num ✕ Energy ✕
C60H24 84 0.935 744.852 0.000 vasp 1 -617.594
C60H24 84 0.110 744.852 0.000 vasp 1 -620.184
C60H24 84 1.391 744.852 0.000 vasp 1 -620.395
C60H24 84 1.001 744.852 0.000 vasp 1 -621.436
C60H24 84 0.445 744.852 0.000 vasp 1 -620.141
C60H24 84 1.057 744.852 0.000 vasp 1 -619.459
C60H24 84 0.718 744.852 0.000 vasp 1 -620.162
C60H24 84 0.817 744.852 0.000 vasp 1 -619.929
C60H24 84 0.752 744.852 0.000 vasp 1 -618.910
C60H24 84 0.364 744.852 0.000 vasp 1 -623.037
C60H24 84 13.598 744.852 0.000 vasp 1 -533.595
C60H24 84 0.008 744.852 0.000 vasp 1 -621.943
C60H24 84 0.010 744.852 0.000 vasp 1 -623.638
C60H24 84 0.009 744.852 0.000 vasp 1 -622.597
C60H24 84 0.722 744.852 0.000 vasp 1 -621.097
C60H24 84 0.356 744.852 0.000 vasp 1 -623.414
C60H24 84 0.324 744.852 0.000 vasp 1 -614.824
C60H24 84 0.166 744.852 0.000 vasp 1 -616.410
C60H24 84 0.348 744.852 0.000 vasp 1 -616.110
C60H24 84 0.164 744.852 0.000 vasp 1 -615.559
C60H24 84 0.268 744.852 0.000 vasp 1 -616.335
C60H24 84 0.010 744.852 0.000 vasp 1 -620.341
C60H24 84 0.338 744.852 0.000 vasp 1 -618.772
C60H24 84 0.063 744.852 0.000 vasp 1 -615.353
C60H24 84 0.008 744.852 0.000 vasp 1 -618.136
C60H24 84 0.738 744.852 0.000 vasp 1 -620.231
C60H24 84 0.268 744.852 0.000 vasp 1 -617.848
C60H24 84 0.380 744.852 0.000 vasp 1 -618.308
C60H24 84 0.010 744.852 0.000 vasp 1 -621.168
C60H24 84 0.509 744.852 0.000 vasp 2 -620.276
C60H24 84 0.294 744.852 0.000 vasp 1 -616.003
C60H24 84 0.164 744.852 0.000 vasp 1 -616.169
C60H24 84 0.412 744.852 0.000 vasp 1 -618.658
C60H24 84 0.366 744.852 0.000 vasp 1 -621.272
C60H24 84 1.208 744.852 0.000 vasp 1 -622.038
C60H24 84 0.568 744.852 0.000 vasp 1 -618.840
C60H24 84 0.044 744.852 0.000 vasp 1 -616.492
C60H24 84 3.736 744.852 0.000 vasp 1 -608.120
C60H24 84 0.009 744.852 0.000 vasp 1 -617.811
C60H24 84 0.388 744.852 0.000 vasp 1 -616.661
C60H24 84 0.233 744.852 0.000 vasp 1 -623.253
C60H24 84 51.591 744.852 0.000 vasp 1 -383.898
C60H24 84 0.008 744.852 0.000 vasp 1 -621.289
C60H24 84 0.363 744.852 0.000 vasp 1 -618.326
C60H24 84 0.047 744.852 0.000 vasp 2 -619.874
C60H24 84 0.779 744.852 0.000 vasp 1 -621.088
C60H24 84 0.084 744.852 0.000 vasp 1 -619.302
C60H24 84 0.158 744.852 0.000 vasp 1 -617.173
C60H24 84 0.009 744.852 0.000 vasp 1 -622.498
C60H24 84 351.870 744.852 0.000 vasp 2 175.797
C60H24 84 0.009 744.852 0.000 vasp 24 -612.210
C60H24 84 0.010 744.852 0.000 vasp 24 -619.386
C60H24 84 0.012 744.852 0.000 vasp 12 -616.977
C60H24 84 0.012 744.852 0.000 vasp 12 -614.577
C60H24 84 0.011 744.852 0.000 vasp 12 -618.140
C60H24 84 0.009 744.852 0.000 vasp 12 -621.243
C60H24 84 0.010 744.852 0.000 vasp 12 -620.570
C60H24 84 0.026 744.852 0.000 vasp 12 -618.636
C60H24 84 0.014 744.852 0.000 vasp 12 -613.203
C60H24 84 0.269 744.852 0.000 vasp 2 -604.252
C60H24 84 0.079 744.852 0.000 vasp 1 -599.902
C60H24 84 0.006 744.852 0.000 vasp 24 -612.210
C60H24 84 0.010 744.852 0.000 vasp 24 -619.386
C60H24 84 0.015 744.852 0.000 vasp 12 -621.263
C60H24 84 0.027 744.852 0.000 vasp 8 -621.083
C60H24 84 0.027 744.852 0.000 vasp 8 -620.152
C60H24 84 0.022 744.852 0.000 vasp 8 -619.460
C60H24 84 0.012 744.852 0.000 vasp 8 -622.246
C60H24 84 0.006 744.852 0.000 vasp 24 -612.210
C60H24 84 0.010 744.852 0.000 vasp 24 -619.386
C60H24 84 0.050 744.852 0.000 vasp 8 -619.458
C60H24 84 0.019 744.852 0.000 vasp 8 -616.680
C60H24 84 0.018 744.852 0.000 vasp 6 -616.025
C60H24 84 0.018 744.852 0.000 vasp 6 -615.875
C60H24 84 0.011 744.852 0.000 vasp 6 -617.188
C60H24 84 0.016 744.852 0.000 vasp 6 -617.646
C60H24 84 0.017 744.852 0.000 vasp 6 -620.144
C60H24 84 0.016 744.852 0.000 vasp 6 -620.340
C60H24 84 0.018 744.852 0.000 vasp 6 -612.281
C60H24 84 0.018 744.852 0.000 vasp 6 -618.975
C60H24 84 0.038 744.852 0.000 vasp 6 -614.774
C60H24 84 0.023 744.852 0.000 vasp 6 -617.757
C60H24 84 0.027 744.852 0.000 vasp 6 -618.562
C60H24 84 0.026 744.852 0.000 vasp 6 -617.548
C60H24 84 0.018 744.852 0.000 vasp 6 -618.987
C60H24 84 0.013 744.852 0.000 vasp 6 -614.046
C60H24 84 0.012 744.852 0.000 vasp 12 -616.977
C60H24 84 0.011 744.852 0.000 vasp 6 -617.548
C60H24 84 0.009 744.852 0.000 vasp 6 -617.233
C60H24 84 0.011 744.852 0.000 vasp 6 -621.918
C60H24 84 0.009 744.852 0.000 vasp 6 -622.253
C60H24 84 0.013 744.852 0.000 vasp 6 -617.157
C60H24 84 0.016 744.852 0.000 vasp 6 -616.639
C60H24 84 0.022 744.852 0.000 vasp 6 -619.408
C60H24 84 0.017 744.852 0.000 vasp 6 -619.466
C60H24 84 0.009 744.852 0.000 vasp 6 -618.410
C60H24 84 0.010 744.852 0.000 vasp 6 -619.318
C60H24 84 0.011 744.852 0.000 vasp 6 -618.162
C60H24 84 0.014 744.852 0.000 vasp 6 -618.041
C60H24 84 0.014 744.852 0.000 vasp 6 -610.290