ASE database

ID Energy Volume Calculator Mass distance
76 -222.247 3649.858 vasp 17285.869 0.376
77 -224.037 3649.858 vasp 17285.869 0.004
78 -224.356 3649.858 vasp 17285.869 -0.057
79 -223.581 3649.858 vasp 17285.869 1.019
80 -223.229 3649.858 vasp 17285.869 1.128
81 -222.245 3649.858 vasp 17285.869 1.287
82 -218.548 3649.858 vasp 17285.869 3.219
83 -221.145 3649.858 vasp 17285.869 1.783
84 -220.986 3649.858 vasp 17285.869 1.048
85 -222.861 3649.858 vasp 17285.869 0.555
86 -223.955 3649.858 vasp 17285.869 0.496
87 -223.843 3649.858 vasp 17285.869 0.638
88 -222.907 3649.858 vasp 17285.869 1.456
89 -221.497 3649.858 vasp 17285.869 1.702
90 -218.552 3649.858 vasp 17285.869 3.199
91 -221.957 3649.858 vasp 17285.869 1.011
92 -218.530 3649.858 vasp 17285.869 3.531
93 -221.258 3649.858 vasp 17285.869 2.014
94 -221.998 3649.858 vasp 17285.869 0.794
95 -224.163 3649.858 vasp 17285.869 -1.286
96 -224.114 3649.858 vasp 17285.869 0.883
97 -223.914 3649.858 vasp 17285.869 1.085
98 -223.523 3649.858 vasp 17285.869 1.199
99 -222.402 3649.858 vasp 17285.869 1.545
100 -218.547 3649.858 vasp 17285.869 3.558