omc25_stats.json

{
  "n_total": 1386816,
  "sample_size": 100000,
  "atoms_per_structure": {
    "min": 13,
    "max": 300,
    "mean": 128.53725
  },
  "bounding_box_extent_angstrom": {
    "side_min": 0.0,
    "side_max": 64.6488324124366,
    "diagonal_min": 8.324631973661594,
    "diagonal_max": 65.3815327495225
  },
  "elements": {
    "count": 12,
    "atomic_numbers": [
      1,
      5,
      6,
      7,
      8,
      9,
      14,
      15,
      16,
      17,
      35,
      53
    ],
    "symbols": [
      "H",
      "B",
      "C",
      "N",
      "O",
      "F",
      "Si",
      "P",
      "S",
      "Cl",
      "Br",
      "I"
    ],
    "counts": {
      "1": 5722697,
      "5": 3589,
      "6": 5433802,
      "7": 472527,
      "8": 844890,
      "9": 74502,
      "14": 18533,
      "15": 24549,
      "16": 141330,
      "17": 81323,
      "35": 30853,
      "53": 5130
    }
  },
  "label_energy_referenced": {
    "min": -51.61383056640625,
    "max": 102.79129028320312,
    "mean": -0.015785580944855354
  },
  "force_magnitude": {
    "min": 2.690929252615651e-06,
    "max": 43.85430659530122,
    "mean": 0.08373984637586249
  }
}