ASE database

ID Mass Volume atom_E Calculator PBC Maximum force
551 17285.869 1730.483 -0.225 vasp TTT 0.009
552 17285.869 1730.483 -0.004 vasp TTT 0.005
553 17285.869 1730.483 -0.295 vasp TTT 0.008
554 17285.869 1730.483 -0.830 vasp TTT 0.009
555 17285.869 1730.483 -1.888 vasp TTT 0.004
556 17285.869 1730.483 -0.945 vasp TTT 0.009
557 17285.869 1730.483 -0.243 vasp TTT 0.009
558 17285.869 1730.483 -0.025 vasp TTT 0.009
559 17285.869 1730.483 -1.120 vasp TTT 0.006
560 17285.869 1730.483 0.002 vasp TTT 0.006
561 17285.869 1730.483 -0.299 vasp TTT 0.007
562 17285.869 1730.483 -0.039 vasp TTT 0.009
563 17285.869 1730.483 -0.349 vasp TTT 0.008
564 17285.869 1730.483 -1.250 vasp TTT 0.010
565 17285.869 1730.483 -3.120 vasp TTT 0.008
566 17285.869 1730.483 -1.530 vasp TTT 0.007
567 17285.869 1730.483 -0.424 vasp TTT 0.009
568 17285.869 1730.483 -0.013 vasp TTT 0.007
569 17285.869 1730.483 -0.225 vasp TTT 0.006
570 17285.869 1730.483 -0.004 vasp TTT 0.010
571 17285.869 1730.483 -0.295 vasp TTT 0.010
572 17285.869 1730.483 -0.830 vasp TTT 0.010
573 17285.869 1730.483 -1.890 vasp TTT 0.006
574 17285.869 1730.483 -0.945 vasp TTT 0.008
575 17285.869 1730.483 -0.243 vasp TTT 0.011