ASE database

ID Mass Volume atom_E Calculator PBC Maximum force
51 17285.869 2654.442 -1.888 vasp TTT 0.004
52 17285.869 2654.442 -0.945 vasp TTT 0.009
53 17285.869 2654.442 -0.243 vasp TTT 0.008
54 17285.869 2654.442 -0.025 vasp TTT 0.005
55 17285.869 3649.858 -1.117 vasp TTT 0.010
56 17285.869 3649.858 0.002 vasp TTT 0.008
57 17285.869 3649.858 -0.299 vasp TTT 0.010
58 17285.869 3649.858 -0.039 vasp TTT 0.007
59 17285.869 3649.858 -0.349 vasp TTT 0.009
60 17285.869 3649.858 -1.248 vasp TTT 0.009
61 17285.869 3649.858 -3.124 vasp TTT 0.007
62 17285.869 3649.858 -1.533 vasp TTT 0.008
63 17285.869 3649.858 -0.424 vasp TTT 0.010
64 17285.869 3649.858 -0.013 vasp TTT 0.008
65 17285.869 3649.858 -0.225 vasp TTT 0.006
66 17285.869 3649.858 -0.004 vasp TTT 0.005
67 17285.869 3649.858 -0.295 vasp TTT 0.005
68 17285.869 3649.858 -0.830 vasp TTT 0.007
69 17285.869 3649.858 -1.888 vasp TTT 0.009
70 17285.869 3649.858 -0.945 vasp TTT 0.005
71 17285.869 3649.858 -0.243 vasp TTT 0.010
72 17285.869 3649.858 -0.025 vasp TTT 0.007
73 17285.869 3649.858 -1.117 vasp TTT 0.009
74 17285.869 3649.858 0.002 vasp TTT 0.010
75 17285.869 3649.858 -0.299 vasp TTT 0.010